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Sample records for pipelined metabolite identification

  1. Hazard identification studies applied to oil pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Savio, Augusto; Alpert, Melina L. [TECNA S.A., Buenos Aires (Argentina)], e-mail: asavio@tecna.com, e-mail: malpert@tecna.com

    2008-07-01

    In order to assess risks inherent to an Oil Pipeline, it is imperative to analyze what happens 'outside the process'. HAZID (HAZard IDentification) studies are mainly carried out for this purpose. HAZID is a formal study which identifies hazards and risks associated to an operation or facility and enable its acceptability assessment. It is a brainstorming exercise guided by a typical 'Checklist', divided into four Sections: External, Facilities and Health Hazards and Issues pertaining to Project Execution, which are further subdivided into Hazard Categories. For each Category, there are 'Guide-words' and 'Prompts'. Even if an Oil Pipeline Risk Assessment can be performed by means of the above referred 'Checklist', carrying out the actual process can become lengthy and annoying due to the lack of specificity. This work aims at presenting the most suitable 'Checklist' for the identification of Oil Pipeline Risk Assessment, although it could be used for Gas Pipeline Risk Assessment too. Prepared ad hoc, this list, is based on the spill causes established by CONCAWE (CONservation of Clean Air Water in Europe). Performing Oil Pipeline Risk Assessment by means of specially formulated Checklist enables the Study Team to easily identify risks, shortens execution time and provides both accuracy and specificity. (author)

  2. A new paradigm for known metabolite identification in metabonomics/metabolomics: metabolite identification efficiency.

    Science.gov (United States)

    Everett, Jeremy R

    2015-01-01

    A new paradigm is proposed for assessing confidence in the identification of known metabolites in metabonomics studies using NMR spectroscopy approaches. This new paradigm is based upon the analysis of the amount of metabolite identification information retrieved from NMR spectra relative to the molecular size of the metabolite. Several new indices are proposed including: metabolite identification efficiency (MIE) and metabolite identification carbon efficiency (MICE), both of which can be easily calculated. These indices, together with some guidelines, can be used to provide a better indication of known metabolite identification confidence in metabonomics studies than existing methods. Since known metabolite identification in untargeted metabonomics studies is one of the key bottlenecks facing the science currently, it is hoped that these concepts based on molecular spectroscopic informatics, will find utility in the field.

  3. A New Paradigm for Known Metabolite Identification in Metabonomics/Metabolomics: Metabolite Identification Efficiency

    Directory of Open Access Journals (Sweden)

    Jeremy R. Everett

    2015-01-01

    Full Text Available A new paradigm is proposed for assessing confidence in the identification of known metabolites in metabonomics studies using NMR spectroscopy approaches. This new paradigm is based upon the analysis of the amount of metabolite identification information retrieved from NMR spectra relative to the molecular size of the metabolite. Several new indices are proposed including: metabolite identification efficiency (MIE and metabolite identification carbon efficiency (MICE, both of which can be easily calculated. These indices, together with some guidelines, can be used to provide a better indication of known metabolite identification confidence in metabonomics studies than existing methods. Since known metabolite identification in untargeted metabonomics studies is one of the key bottlenecks facing the science currently, it is hoped that these concepts based on molecular spectroscopic informatics, will find utility in the field.

  4. New Methodology for Known Metabolite Identification in Metabonomics/Metabolomics: Topological Metabolite Identification Carbon Efficiency (tMICE).

    Science.gov (United States)

    Sanchon-Lopez, Beatriz; Everett, Jeremy R

    2016-09-02

    A new, simple-to-implement and quantitative approach to assessing the confidence in NMR-based identification of known metabolites is introduced. The approach is based on a topological analysis of metabolite identification information available from NMR spectroscopy studies and is a development of the metabolite identification carbon efficiency (MICE) method. New topological metabolite identification indices are introduced, analyzed, and proposed for general use, including topological metabolite identification carbon efficiency (tMICE). Because known metabolite identification is one of the key bottlenecks in either NMR-spectroscopy- or mass spectrometry-based metabonomics/metabolomics studies, and given the fact that there is no current consensus on how to assess metabolite identification confidence, it is hoped that these new approaches and the topological indices will find utility.

  5. Isolation and identification of two galangin metabolites from rat urine ...

    African Journals Online (AJOL)

    Isolation and identification of two galangin metabolites from rat urine and determination of their in vitro hypolipidemic activity. Xuguang Zhang, Shouqian Cheng, Hailong Li, Xiaopo Zhang, Feng Chen, Youbin Li, Junqing Zhang, Yinfeng Tan ...

  6. Characterization and identification of in vitro metabolites of ...

    African Journals Online (AJOL)

    Characterization and identification of in vitro metabolites of (-)-epicatechin using ultra-high performance liquid chromatography-mass spectrometry. Rui Jun Cai, Xiao Ling Yin, Jing Liu, Da Xu Qin, Gui Zhen Zhao ...

  7. Emerging New Strategies for Successful Metabolite Identification in Metabolomics

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Ahmet K.; Bruschweiler-Li, Lei; Li, Dawei; Zhang, Bo; Xie, Mouzhe; Bruschweiler, Rafael

    2016-02-26

    NMR is a very powerful tool for the identification of known and unknown (or unnamed) metabolites in complex mixtures as encountered in metabolomics. Known compounds can be reliably identified using 2D NMR methods, such as 13C-1H HSQC, for which powerful web servers with databases are available for semi-automated analysis. For the identification of unknown compounds, new combinations of NMR with MS have been developed recently that make synergistic use of the mutual strengths of the two techniques. The use of chemical additives to the NMR tube, such as reactive agents, paramagnetic ions, or charged silica nanoparticles, permit the identification of metabolites with specific physical chemical properties. In the following sections, we give an overview of some of the recent advances in metabolite identification and discuss remaining challenges.

  8. Metabolite identification through multiple kernel learning on fragmentation trees.

    Science.gov (United States)

    Shen, Huibin; Dührkop, Kai; Böcker, Sebastian; Rousu, Juho

    2014-06-15

    Metabolite identification from tandem mass spectrometric data is a key task in metabolomics. Various computational methods have been proposed for the identification of metabolites from tandem mass spectra. Fragmentation tree methods explore the space of possible ways in which the metabolite can fragment, and base the metabolite identification on scoring of these fragmentation trees. Machine learning methods have been used to map mass spectra to molecular fingerprints; predicted fingerprints, in turn, can be used to score candidate molecular structures. Here, we combine fragmentation tree computations with kernel-based machine learning to predict molecular fingerprints and identify molecular structures. We introduce a family of kernels capturing the similarity of fragmentation trees, and combine these kernels using recently proposed multiple kernel learning approaches. Experiments on two large reference datasets show that the new methods significantly improve molecular fingerprint prediction accuracy. These improvements result in better metabolite identification, doubling the number of metabolites ranked at the top position of the candidates list. © The Author 2014. Published by Oxford University Press.

  9. Identification of drug metabolites in human plasma or serum integrating metabolite prediction, LC-HRMS and untargeted data processing

    NARCIS (Netherlands)

    Jacobs, P.L.; Ridder, L.; Ruijken, M.; Rosing, H.; Jager, N.G.L.; Beijnen, J.H.; Bas, R.R.; Dongen, W.D. van

    2013-01-01

    Background: Comprehensive identification of human drug metabolites in first-in-man studies is crucial to avoid delays in later stages of drug development. We developed an efficient workflow for systematic identification of human metabolites in plasma or serum that combines metabolite prediction,

  10. Identification of a new metabolite of GHB

    DEFF Research Database (Denmark)

    Petersen, Ida Nymann; Tortzen, Christian; Kristensen, Jesper Langgaard

    2013-01-01

    Gamma-hydroxybutyric acid (GHB) is an important analyte in clinical and forensic toxicology with a narrow detection window of 3-6 h. In the search of improved detection methods, the existence in vivo of a glucuronated GHB metabolite (GHB-GLUC) was hypothesized. Chemically pure standards of GHB...

  11. Towards automated identification of metabolites using mass spectral trees

    NARCIS (Netherlands)

    Rojas-Chertó, Miquel

    2014-01-01

    The detailed description of the chemical compounds present in organisms, organs/tissues, biofluids and cells is the key to understand the complexity of biological systems. The small molecules (metabolites) are known to be very diverse in structure and function. However, the identification of the

  12. SeMPI: a genome-based secondary metabolite prediction and identification web server.

    Science.gov (United States)

    Zierep, Paul F; Padilla, Natàlia; Yonchev, Dimitar G; Telukunta, Kiran K; Klementz, Dennis; Günther, Stefan

    2017-07-03

    The secondary metabolism of bacteria, fungi and plants yields a vast number of bioactive substances. The constantly increasing amount of published genomic data provides the opportunity for an efficient identification of gene clusters by genome mining. Conversely, for many natural products with resolved structures, the encoding gene clusters have not been identified yet. Even though genome mining tools have become significantly more efficient in the identification of biosynthetic gene clusters, structural elucidation of the actual secondary metabolite is still challenging, especially due to as yet unpredictable post-modifications. Here, we introduce SeMPI, a web server providing a prediction and identification pipeline for natural products synthesized by polyketide synthases of type I modular. In order to limit the possible structures of PKS products and to include putative tailoring reactions, a structural comparison with annotated natural products was introduced. Furthermore, a benchmark was designed based on 40 gene clusters with annotated PKS products. The web server of the pipeline (SeMPI) is freely available at: http://www.pharmaceutical-bioinformatics.de/sempi. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  13. Fast metabolite identification with Input Output Kernel Regression

    Science.gov (United States)

    Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

    2016-01-01

    Motivation: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. Results: We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. Availability and implementation: Contact: celine.brouard@aalto.fi Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27307628

  14. Identification of metabolites of the tryptase inhibitor CRA-9249: observation of a metabolite derived from an unexpected hydroxylation pathway.

    Science.gov (United States)

    Yu, Walter; Dener, Jeffrey M; Dickman, Daniel A; Grothaus, Paul; Ling, Yun; Liu, Liang; Havel, Chris; Malesky, Kimberly; Mahajan, Tania; O'Brian, Colin; Shelton, Emma J; Sperandio, David; Tong, Zhiwei; Yee, Robert; Mordenti, Joyce J

    2006-08-01

    The metabolites of the tryptase inhibitor CRA-9249 were identified after exposure to liver microsomes. CRA-9249 was found to be degraded rapidly in liver microsomes from rabbit, dog, cynomolgus monkey, and human, and less rapidly in microsomes from rat. The key metabolites included cleavage of an aryl ether, in addition to an unexpected hydroxylation of the amide side chain adjacent to the amide nitrogen. The chemical structures of both metabolites were confirmed by synthesis and comparison to material isolated from the liver microsomes. Several suspected hydroxylated metabolites were also synthesized and analyzed as part of the structure identification process.

  15. Identification of partial blockages in pipelines using genetic algorithms

    Indian Academy of Sciences (India)

    A methodology to identify the partial blockages in a simple pipeline using genetic algorithms for non-harmonic flows is presented in this paper. A sinusoidal flow generated by the periodic on-and-off operation of a valve at the outlet is investigated in the time domain and it is observed that pressure variation at the valve is ...

  16. Metabolism of metofluthrin in rats: I. Identification of metabolites.

    Science.gov (United States)

    Abe, Jun; Nagahori, Hirohisa; Tarui, Hirokazu; Tomigahara, Yoshitaka; Isobe, Naohiko

    2018-02-01

    1. Metofluthrin (2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl (Z/E)-(1R)-trans-2,2-dimethyl-3-(1-propenyl)-cyclopropanecarboxylate) is a novel pyrethroid insecticide, which has E/Z isomers at prop-1-enyl group. 2. Rats were orally dosed with each [ 14 C]-labelled E/Z isomer, and the excreta were collected for isolation and identification of metabolites. Analysis of the excreta by LC/MS and NMR revealed formation of 33 and 23 (total 42) metabolites from rats dosed with Z-isomer and E-isomer, respectively. 3. Major metabolic reactions were cleavage of ester linkage, O-demethylation, hydroxylation, epoxidation or reduction of double bond, glutathione conjugation and its further metabolism, hydroxylation of epoxide and formation of lactone ring. Notably, the acid side, 2,2-dimethyl-3-(1-propenyl)-cyclopropanecarboxylic acid, was much more variously metabolised compared to chrysanthemic acid, the acid side of the known pyrethroids. 4. Major metabolites for Z-isomer mostly retained ester linkage with 1,2-dihydroxypropyl group and/or 2-methylalcohol of cyclopropane ring, while most of those for E-isomer received hydrolysis of the ester linkage without oxidation at the 1-propenyl group or the gem-methyl groups, suggesting epoxidation and hydroxylation could occur more easily on Z-isomer. 5. As the novel metabolic pathways for pyrethroids, isomerisation of ω-carboxylic acid moiety, reduction or hydration of double bond and cleavage of cyclopropane ring via epoxidation were suggested.

  17. Emerging technologies, recent developments, and novel applications for drug metabolite identification.

    Science.gov (United States)

    Lu, Wenjie; Xu, Youzhi; Zhao, Yinglan; Cen, Xiaobo

    2014-01-01

    Drug metabolite identification and metabolic characteristics analysis play a crucial role in new drug research and development, because they can lead to varied efficacy, severe adverse reactions, and even toxicity. Classical methodologies for metabolite identification have mainly been based on mass spectrometry (MS) coupled with gas chromatography (GC) or liquid chromatography (LC), and some other techniques are used as complementary approaches, such as nuclear magnetic resonance (NMR). Over the past decade, more and more newly emerging techniques or technologies have been applied to metabolite identification, and are making the procedure easier and more robust, such as LC-NMR-MS, ion mobility MS, ambient ionization techniques, and imaging MS. A novel application of drug metabolite identification based on "omics" known as pharmacometabonomics is discussed, which is an interdisciplinary field that combines pre-dose metabolite profiling and chemometrics methods for data analysis and modeling, aiming to predict the responses of individuals to drugs.

  18. Rapid identification of herbal compounds derived metabolites using zebrafish larvae as the biotransformation system.

    Science.gov (United States)

    Wang, Chen; Yin, Ying-Hao; Wei, Ying-Jie; Shi, Zi-Qi; Liu, Jian-Qun; Liu, Li-Fang; Xin, Gui-Zhong

    2017-09-15

    Metabolites derived from herbal compounds are becoming promising sources for discovering new drugs. However, the rapid identification of metabolites from biological matrixes is limited by massive endogenous interference and low abundance of metabolites. Thus, by using zebrafish larvae as the biotransformation system, we herein proposed and validated an integrated strategy for rapid identification of metabolites derived from herbal compounds. Two pivotal steps involved in this strategy are to differentiate metabolites from herbal compounds and match metabolites with their parent compounds. The differentiation step was achieved by cross orthogonal partial least-squares discriminant analysis. Automatic matching analysis was performed on R Project based on a self-developed program, of which the number of matched ionic clusters and its corresponding percentage between metabolite and parent compound were taken into account to assess their similarity. Using this strategy, 46 metabolites screened from incubation water samples of zebrafish treated with total Epimedium flavonoids (EFs) could be matched with their corresponding parent compounds, 37 of them were identified and validated by the known metabolic pathways and fragmentation patterns. Finally, 75% of the identified EFs metabolites were successfully detected in urine samples of rats treated with EFs. These experimental results indicate that the proposed strategy using zebrafish larvae as the biotransformation system will facilitate the rapid identification of metabolites derived from herbal compounds, which shows promising perspectives in providing additional resources for pharmaceutical developments from natural products. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. MIDAS: a database-searching algorithm for metabolite identification in metabolomics.

    Science.gov (United States)

    Wang, Yingfeng; Kora, Guruprasad; Bowen, Benjamin P; Pan, Chongle

    2014-10-07

    A database searching approach can be used for metabolite identification in metabolomics by matching measured tandem mass spectra (MS/MS) against the predicted fragments of metabolites in a database. Here, we present the open-source MIDAS algorithm (Metabolite Identification via Database Searching). To evaluate a metabolite-spectrum match (MSM), MIDAS first enumerates possible fragments from a metabolite by systematic bond dissociation, then calculates the plausibility of the fragments based on their fragmentation pathways, and finally scores the MSM to assess how well the experimental MS/MS spectrum from collision-induced dissociation (CID) is explained by the metabolite's predicted CID MS/MS spectrum. MIDAS was designed to search high-resolution tandem mass spectra acquired on time-of-flight or Orbitrap mass spectrometer against a metabolite database in an automated and high-throughput manner. The accuracy of metabolite identification by MIDAS was benchmarked using four sets of standard tandem mass spectra from MassBank. On average, for 77% of original spectra and 84% of composite spectra, MIDAS correctly ranked the true compounds as the first MSMs out of all MetaCyc metabolites as decoys. MIDAS correctly identified 46% more original spectra and 59% more composite spectra at the first MSMs than an existing database-searching algorithm, MetFrag. MIDAS was showcased by searching a published real-world measurement of a metabolome from Synechococcus sp. PCC 7002 against the MetaCyc metabolite database. MIDAS identified many metabolites missed in the previous study. MIDAS identifications should be considered only as candidate metabolites, which need to be confirmed using standard compounds. To facilitate manual validation, MIDAS provides annotated spectra for MSMs and labels observed mass spectral peaks with predicted fragments. The database searching and manual validation can be performed online at http://midas.omicsbio.org.

  20. [Identification of saponins from Panax notoginseng in metabolites of rats].

    Science.gov (United States)

    Shen, Wen-Wen; Zhang, Yin; Qiu, Shou-Bei; Zhu, Fen-Xia; Jia, Xiao-Bin; Tang, Dao-Quan; Chen, Bin

    2017-10-01

    UPLC-QTOF-MS/MS was used to identify metabolites in rat blood, urine and feces after the administration of n-butanol extract derived from steamed notoginseng. The metabolic process of saponins came from steamed notoginseng was analyzed. The metabolites were processed by PeakView software, and identified according to the structural characteristics of prototype compounds and the accurate qualitative and quantitative changes of common metabolic pathways. Four saponins metabolites were identified based on MS/MS information of metabolites, namely ginsenoside Rh₄, Rk₃, Rk₁, Rg₅,and their 15 metabolites were verified. The metabolic pathways of the four ginsenosides in n-butanol extract included glucuronidation, desugar, sulfation, dehydromethylation, and branch loss. The metabolites of main active saponin components derived from steamed Panax notoginseng were analyzed from the perspective of qualitative analysis. And the material basis for the efficacy of steamed notoginseng was further clarified. Copyright© by the Chinese Pharmaceutical Association.

  1. Integrative Approaches for the Identification and Localization of Specialized Metabolites in Tripterygium Roots1[OPEN

    Science.gov (United States)

    Fischedick, Justin T.; Lange, Malte F.; Poirier, Brenton C.

    2017-01-01

    Members of the genus Tripterygium are known to contain an astonishing diversity of specialized metabolites. The lack of authentic standards has been an impediment to the rapid identification of such metabolites in extracts. We employed an approach that involves the searching of multiple, complementary chromatographic and spectroscopic data sets against the Spektraris database to speed up the metabolite identification process. Mass spectrometry-based imaging indicated a differential localization of triterpenoids to the periderm and sesquiterpene alkaloids to the cortex layer of Tripterygium roots. We further provide evidence that triterpenoids are accumulated to high levels in cells that contain suberized cell walls, which might indicate a mechanism for storage. To our knowledge, our data provide first insights into the cell type specificity of metabolite accumulation in Tripterygium and set the stage for furthering our understanding of the biological implications of specialized metabolites in this genus. PMID:27864443

  2. Metabolites of alectinib in human: their identification and pharmacological activity

    Directory of Open Access Journals (Sweden)

    Mika Sato-Nakai

    2017-07-01

    Full Text Available Two metabolites (M4 and M1b in plasma and four metabolites (M4, M6, M1a and M1b in faeces were detected through the human ADME study following a single oral administration of [14C]alectinib, a small-molecule anaplastic lymphoma kinase inhibitor, to healthy subjects. In the present study, M1a and M1b, which chemical structures had not been identified prior to the human ADME study, were identified as isomers of a carboxylate metabolite oxidatively cleaved at the morpholine ring. In faeces, M4 and M1b were the main metabolites, which shows that the biotransformation to M4 and M1b represents two main metabolic pathways for alectinib. In plasma, M4 was a major metabolite and M1b was a minor metabolite. The contribution to in vivo pharmacological activity of these circulating metabolites was assessed from their in vitro pharmacological activity and plasma protein binding. M4 had a similar cancer cell growth inhibitory activity and plasma protein binding to that of alectinib, suggesting its contribution to the antitumor activity of alectinib, whereas the pharmacological activity of M1b was insignificant.

  3. MSM, an Efficient Workflow for Metabolite Identification Using Hybrid Linear Ion Trap Orbitrap Mass Spectrometer

    Science.gov (United States)

    Cho, Robert; Huang, Yingying; Schwartz, Jae C.; Chen, Yan; Carlson, Timothy J.; Ma, Ji

    2012-05-01

    Identification of drug metabolites can often yield important information regarding clearance mechanism, pharmacologic activity, or toxicity for drug candidate molecules. Additionally, the identification of metabolites can provide beneficial structure-activity insight to help guide lead optimization efforts towards molecules with optimal metabolic profiles. There are challenges associated with detecting and identifying metabolites in the presence of complex biological matrices, and new LC-MS technologies have been developed to meet these challenges. In this report, we describe the development of an experimental approach that applies unique features of the hybrid linear ion trap Orbitrap mass spectrometer to streamline in vitro and in vivo metabolite identification experiments. The approach, referred to as MSM, utilizes multiple collision cells, dissociation methods, mass analyzers, and detectors. With multiple scan types and different dissociation modes built into one experimental method, along with flexible post-acquisition analysis options, the MSM workflow offers an attractive option to fast and reliable identification of metabolites in different kinds of in vitro and in vivo samples. The MSM workflow was successfully applied to metabolite identification analysis of verapamil in both in vitro rat hepatocyte incubations and in vivo rat bile samples.

  4. Characterization and identification of in vitro metabolites of ...

    African Journals Online (AJOL)

    trap orbitrap mass spectrometry (UHPLC-LTQ-Orbitap MS). Results: Nine metabolites of (-)-epicatechin were characterized on the basis of high resolution mass measurement, MS spectra and literature data. Based on their structures, the major ...

  5. Identification of Unique Metabolites of the Designer Opioid Furanyl Fentanyl.

    Science.gov (United States)

    Goggin, Melissa M; Nguyen, An; Janis, Gregory C

    2017-06-01

    The illicit drug market has seen an increase in designer opioids, including fentanyl and methadone analogs, and other structurally unrelated opioid agonists. The designer opioid, furanyl fentanyl, is one of many fentanyl analogs clandestinely synthesized for recreational use and contributing to the fentanyl and opioid crisis. A method has been developed and validated for the analysis of furanyl fentanyl and furanyl norfentanyl in urine specimens from pain management programs. Approximately 10% of samples from a set of 500 presumptive heroin-positive urine specimens were found to contain furanyl fentanyl, with an average concentration of 33.8 ng/mL, and ranging from 0.26 to 390 ng/mL. Little to no furanyl norfentanyl was observed; therefore, the furanyl fentanyl specimens were further analyzed by untargeted high-resolution mass spectrometry to identify other metabolites. Multiple metabolites, including a dihydrodiol metabolite, 4-anilino-N-phenethyl-piperidine (4-ANPP) and a sulfate metabolite were identified. The aim of the presented study was to identify the major metabolite(s) of furanyl fentanyl and estimate their concentrations for the purpose of toxicological monitoring. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  6. Biodegradation of clofibric acid and identification of its metabolites

    Energy Technology Data Exchange (ETDEWEB)

    Salgado, R. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); ESTS-IPS, Escola Superior de Tecnologia de Setubal do Instituto Politecnico de Setubal, Rua Vale de Chaves, Campus do IPS, Estefanilha, 2910-761 Setubal (Portugal); Oehmen, A. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Carvalho, G. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Instituto de Biologia Experimental e Tecnologica (IBET), Av. da Republica (EAN), 2784-505 Oeiras (Portugal); Noronha, J.P. [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal); Reis, M.A.M., E-mail: amr@fct.unl.pt [REQUIMTE/CQFB, Chemistry Department, FCT, Universidade Nova de Lisboa, 2829-516 Caparica (Portugal)

    2012-11-30

    Graphical abstract: Metabolites produced during clofibric acid biodegradation. Highlights: Black-Right-Pointing-Pointer Clofibric acid is biodegradable. Black-Right-Pointing-Pointer Mainly heterotrophic bacteria degraded the clofibric acid. Black-Right-Pointing-Pointer Metabolites of clofibric acid biodegradation were identified. Black-Right-Pointing-Pointer The metabolic pathway of clofibric acid biodegradation is proposed. - Abstract: Clofibric acid (CLF) is the pharmaceutically active metabolite of lipid regulators clofibrate, etofibrate and etofyllinclofibrate, and it is considered both environmentally persistent and refractory. This work studied the biotransformation of CLF in aerobic sequencing batch reactors (SBRs) with mixed microbial cultures, monitoring the efficiency of biotransformation of CLF and the production of metabolites. The maximum removal achieved was 51% biodegradation (initial CLF concentration = 2 mg L{sup -1}), where adsorption and abiotic removal mechanisms were shown to be negligible, showing that CLF is indeed biodegradable. Tests showed that the observed CLF biodegradation was mainly carried out by heterotrophic bacteria. Three main metabolites were identified, including {alpha}-hydroxyisobutyric acid, lactic acid and 4-chlorophenol. The latter is known to exhibit higher toxicity than the parent compound, but it did not accumulate in the SBRs. {alpha}-Hydroxyisobutyric acid and lactic acid accumulated for a period, where nitrite accumulation may have been responsible for inhibiting their degradation. A metabolic pathway for the biodegradation of CLF is proposed in this study.

  7. Biodegradation of clofibric acid and identification of its metabolites

    International Nuclear Information System (INIS)

    Salgado, R.; Oehmen, A.; Carvalho, G.; Noronha, J.P.; Reis, M.A.M.

    2012-01-01

    Graphical abstract: Metabolites produced during clofibric acid biodegradation. Highlights: ► Clofibric acid is biodegradable. ► Mainly heterotrophic bacteria degraded the clofibric acid. ► Metabolites of clofibric acid biodegradation were identified. ► The metabolic pathway of clofibric acid biodegradation is proposed. - Abstract: Clofibric acid (CLF) is the pharmaceutically active metabolite of lipid regulators clofibrate, etofibrate and etofyllinclofibrate, and it is considered both environmentally persistent and refractory. This work studied the biotransformation of CLF in aerobic sequencing batch reactors (SBRs) with mixed microbial cultures, monitoring the efficiency of biotransformation of CLF and the production of metabolites. The maximum removal achieved was 51% biodegradation (initial CLF concentration = 2 mg L −1 ), where adsorption and abiotic removal mechanisms were shown to be negligible, showing that CLF is indeed biodegradable. Tests showed that the observed CLF biodegradation was mainly carried out by heterotrophic bacteria. Three main metabolites were identified, including α-hydroxyisobutyric acid, lactic acid and 4-chlorophenol. The latter is known to exhibit higher toxicity than the parent compound, but it did not accumulate in the SBRs. α-Hydroxyisobutyric acid and lactic acid accumulated for a period, where nitrite accumulation may have been responsible for inhibiting their degradation. A metabolic pathway for the biodegradation of CLF is proposed in this study.

  8. A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments.

    Science.gov (United States)

    Dona, Anthony C; Kyriakides, Michael; Scott, Flora; Shephard, Elizabeth A; Varshavi, Dorsa; Veselkov, Kirill; Everett, Jeremy R

    2016-01-01

    Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC-MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

  9. A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments

    Directory of Open Access Journals (Sweden)

    Anthony C. Dona

    2016-01-01

    Full Text Available Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR spectroscopy and mass spectrometry (MS, the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC, in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.

  10. Biotransformation of cannabidiol in mice. Identification of new acid metabolites.

    Science.gov (United States)

    Martin, B R; Harvey, D J; Paton, W D

    1977-01-01

    The in vivo metabolism of cannabidiol (CBD) was investigated in mice. Following the ip administration of CBD to mice, livers were removed and metabolites were extracted with ethyl acetate prior to partial purification on Sephadex LH-20 columns. Fractions from the columns were converted into trimethylsilyl, d9-trimethylsilyl, and methylester-trimethylsilyl derivatives for analysis by gas-liquid chromatography-mass spectrometry. In addition, metabolites containing carboxylic acid and ketone functional groups were reduced to alcohols with lithium aluminum deuteride before trimethylsilation. A total of 22 metabolites were characterized, 14 of which had not been reported previously. The metabolites could be categorized as follows: monohydroxylated (N=2), dihydroxylated (N=3), CBD-7-oic acid, side chain hydroxy-GBD-7-oic acids (N=3), side-chain acids (N=3), 7-hydroxy-side-chain acids (N=4), 6-oxo-side-chain acids (N=3) and glucuronide conjugates (N=3). The most significant biotransformations were glucuronide conjugation and, to a lesser extent, formation of CBD-7-oic acid.

  11. Profiling and Identification of the Metabolites of Evodiamine in Rats ...

    African Journals Online (AJOL)

    (UPLC-LTQ-Orbitrap) coupled with electrospray ionization source (ESI) in negative mode. Results: A total of 7 ... experiment, all rats were fasted for 12 h and fed with water. Evodiamine was .... potential metabolites, M5 and M6 were tentatively ...

  12. Robust volcano plot: identification of differential metabolites in the presence of outliers.

    Science.gov (United States)

    Kumar, Nishith; Hoque, Md Aminul; Sugimoto, Masahiro

    2018-04-11

    The identification of differential metabolites in metabolomics is still a big challenge and plays a prominent role in metabolomics data analyses. Metabolomics datasets often contain outliers because of analytical, experimental, and biological ambiguity, but the currently available differential metabolite identification techniques are sensitive to outliers. We propose a kernel weight based outlier-robust volcano plot for identifying differential metabolites from noisy metabolomics datasets. Two numerical experiments are used to evaluate the performance of the proposed technique against nine existing techniques, including the t-test and the Kruskal-Wallis test. Artificially generated data with outliers reveal that the proposed method results in a lower misclassification error rate and a greater area under the receiver operating characteristic curve compared with existing methods. An experimentally measured breast cancer dataset to which outliers were artificially added reveals that our proposed method produces only two non-overlapping differential metabolites whereas the other nine methods produced between seven and 57 non-overlapping differential metabolites. Our data analyses show that the performance of the proposed differential metabolite identification technique is better than that of existing methods. Thus, the proposed method can contribute to analysis of metabolomics data with outliers. The R package and user manual of the proposed method are available at https://github.com/nishithkumarpaul/Rvolcano .

  13. MetaboSearch: tool for mass-based metabolite identification using multiple databases.

    Directory of Open Access Journals (Sweden)

    Bin Zhou

    Full Text Available Searching metabolites against databases according to their masses is often the first step in metabolite identification for a mass spectrometry-based untargeted metabolomics study. Major metabolite databases include Human Metabolome DataBase (HMDB, Madison Metabolomics Consortium Database (MMCD, Metlin, and LIPID MAPS. Since each one of these databases covers only a fraction of the metabolome, integration of the search results from these databases is expected to yield a more comprehensive coverage. However, the manual combination of multiple search results is generally difficult when identification of hundreds of metabolites is desired. We have implemented a web-based software tool that enables simultaneous mass-based search against the four major databases, and the integration of the results. In addition, more complete chemical identifier information for the metabolites is retrieved by cross-referencing multiple databases. The search results are merged based on IUPAC International Chemical Identifier (InChI keys. Besides a simple list of m/z values, the software can accept the ion annotation information as input for enhanced metabolite identification. The performance of the software is demonstrated on mass spectrometry data acquired in both positive and negative ionization modes. Compared with search results from individual databases, MetaboSearch provides better coverage of the metabolome and more complete chemical identifier information.The software tool is available at http://omics.georgetown.edu/MetaboSearch.html.

  14. A software pipeline for processing and identification of fungal ITS sequences

    Directory of Open Access Journals (Sweden)

    Kristiansson Erik

    2009-01-01

    Full Text Available Abstract Background Fungi from environmental samples are typically identified to species level through DNA sequencing of the nuclear ribosomal internal transcribed spacer (ITS region for use in BLAST-based similarity searches in the International Nucleotide Sequence Databases. These searches are time-consuming and regularly require a significant amount of manual intervention and complementary analyses. We here present software – in the form of an identification pipeline for large sets of fungal ITS sequences – developed to automate the BLAST process and several additional analysis steps. The performance of the pipeline was evaluated on a dataset of 350 ITS sequences from fungi growing as epiphytes on building material. Results The pipeline was written in Perl and uses a local installation of NCBI-BLAST for the similarity searches of the query sequences. The variable subregion ITS2 of the ITS region is extracted from the sequences and used for additional searches of higher sensitivity. Multiple alignments of each query sequence and its closest matches are computed, and query sequences sharing at least 50% of their best matches are clustered to facilitate the evaluation of hypothetically conspecific groups. The pipeline proved to speed up the processing, as well as enhance the resolution, of the evaluation dataset considerably, and the fungi were found to belong chiefly to the Ascomycota, with Penicillium and Aspergillus as the two most common genera. The ITS2 was found to indicate a different taxonomic affiliation than did the complete ITS region for 10% of the query sequences, though this figure is likely to vary with the taxonomic scope of the query sequences. Conclusion The present software readily assigns large sets of fungal query sequences to their respective best matches in the international sequence databases and places them in a larger biological context. The output is highly structured to be easy to process, although it still needs

  15. LC-MS-MS identification of drug metabolites obtained by metalloporphyrin mediated oxidation

    Directory of Open Access Journals (Sweden)

    Maurin Andrea J. M.

    2003-01-01

    Full Text Available In this paper we report the application of liquid chromatography-mass spectrometry (LC-MS-MS to the identification of the products formed by oxidation of albendazole and disopyramide with metalloporphyrins in dichloroethane, using iodosylbenzene as an oxygen donor. Our results show that LC-MS-MS is a powerful tool to study the in vitro metabolism of drugs, allowing the identification of known and unknown metabolites. In addition, it was observed that the catalyst system used resulted in the formation of the same metabolites as obtained in vivo, although for disopyramide other products were also observed.

  16. Biodegradation of clofibric acid and identification of its metabolites.

    Science.gov (United States)

    Salgado, R; Oehmen, A; Carvalho, G; Noronha, J P; Reis, M A M

    2012-11-30

    Clofibric acid (CLF) is the pharmaceutically active metabolite of lipid regulators clofibrate, etofibrate and etofyllinclofibrate, and it is considered both environmentally persistent and refractory. This work studied the biotransformation of CLF in aerobic sequencing batch reactors (SBRs) with mixed microbial cultures, monitoring the efficiency of biotransformation of CLF and the production of metabolites. The maximum removal achieved was 51% biodegradation (initial CLF concentration=2 mg L(-1)), where adsorption and abiotic removal mechanisms were shown to be negligible, showing that CLF is indeed biodegradable. Tests showed that the observed CLF biodegradation was mainly carried out by heterotrophic bacteria. Three main metabolites were identified, including α-hydroxyisobutyric acid, lactic acid and 4-chlorophenol. The latter is known to exhibit higher toxicity than the parent compound, but it did not accumulate in the SBRs. α-Hydroxyisobutyric acid and lactic acid accumulated for a period, where nitrite accumulation may have been responsible for inhibiting their degradation. A metabolic pathway for the biodegradation of CLF is proposed in this study. Copyright © 2012 Elsevier B.V. All rights reserved.

  17. Identification of metabolites during biodegradation of pendimethalin in bioslurry reactor

    International Nuclear Information System (INIS)

    Ramakrishna, M.; Venkata Mohan, S.; Shailaja, S.; Narashima, R.; Sarma, P.N.

    2008-01-01

    Bioslurry phase reactor was used for the degradation of pendimethalin, a pre-emergence herbicide in the contaminated soil under aerobic environment. More than 91% degradation of pendimethalin was observed for 5 days of reactor operation augmented with sewage from effluent treatment plant (ETP). The performance of the reactor was monitored regularly by measuring pH and colony forming units (CFU). The metabolites of pendimethalin formed during degradation were identified using various analytical techniques, viz., thin layer chromatography (TLC), high performance liquid chromatography (HPLC) and liquid chromatography-mass spectroscopy (LC-MS/MS). Four metabolites were formed and identified as N-(1-ethylpropyl)-3,4-dicarboxy 2,6-dinitrobenzenamine-N-oxide, N-(1-ethylpropyl)-3,4-dimethoxy-2,6-dinitrobenzenamine and benezimadazole-7-carboxyaldehyde. The reactions involved were monohydrolysis of 2-methyl groups followed by dihydrolysis. Further oxidation of amine groups and hydroxylation of propyl groups produced the above said metabolites. Degradation pathway of pendimethalin has been proposed in the bioslurry phase reactor

  18. Automated pathway and reaction prediction facilitates in silico identification of unknown metabolites in human cohort studies.

    Science.gov (United States)

    Quell, Jan D; Römisch-Margl, Werner; Colombo, Marco; Krumsiek, Jan; Evans, Anne M; Mohney, Robert; Salomaa, Veikko; de Faire, Ulf; Groop, Leif C; Agakov, Felix; Looker, Helen C; McKeigue, Paul; Colhoun, Helen M; Kastenmüller, Gabi

    2017-12-15

    Identification of metabolites in non-targeted metabolomics continues to be a bottleneck in metabolomics studies in large human cohorts. Unidentified metabolites frequently emerge in the results of association studies linking metabolite levels to, for example, clinical phenotypes. For further analyses these unknown metabolites must be identified. Current approaches utilize chemical information, such as spectral details and fragmentation characteristics to determine components of unknown metabolites. Here, we propose a systems biology model exploiting the internal correlation structure of metabolite levels in combination with existing biochemical and genetic information to characterize properties of unknown molecules. Levels of 758 metabolites (439 known, 319 unknown) in human blood samples of 2279 subjects were measured using a non-targeted metabolomics platform (LC-MS and GC-MS). We reconstructed the structure of biochemical pathways that are imprinted in these metabolomics data by building an empirical network model based on 1040 significant partial correlations between metabolites. We further added associations of these metabolites to 134 genes from genome-wide association studies as well as reactions and functional relations to genes from the public database Recon 2 to the network model. From the local neighborhood in the network, we were able to predict the pathway annotation of 180 unknown metabolites. Furthermore, we classified 100 pairs of known and unknown and 45 pairs of unknown metabolites to 21 types of reactions based on their mass differences. As a proof of concept, we then looked further into the special case of predicted dehydrogenation reactions leading us to the selection of 39 candidate molecules for 5 unknown metabolites. Finally, we could verify 2 of those candidates by applying LC-MS analyses of commercially available candidate substances. The formerly unknown metabolites X-13891 and X-13069 were shown to be 2-dodecendioic acid and 9

  19. A Unique Automation Platform for Measuring Low Level Radioactivity in Metabolite Identification Studies

    Science.gov (United States)

    Krauser, Joel; Walles, Markus; Wolf, Thierry; Graf, Daniel; Swart, Piet

    2012-01-01

    Generation and interpretation of biotransformation data on drugs, i.e. identification of physiologically relevant metabolites, defining metabolic pathways and elucidation of metabolite structures, have become increasingly important to the drug development process. Profiling using 14C or 3H radiolabel is defined as the chromatographic separation and quantification of drug-related material in a given biological sample derived from an in vitro, preclinical in vivo or clinical study. Metabolite profiling is a very time intensive activity, particularly for preclinical in vivo or clinical studies which have defined limitations on radiation burden and exposure levels. A clear gap exists for certain studies which do not require specialized high volume automation technologies, yet these studies would still clearly benefit from automation. Use of radiolabeled compounds in preclinical and clinical ADME studies, specifically for metabolite profiling and identification are a very good example. The current lack of automation for measuring low level radioactivity in metabolite profiling requires substantial capacity, personal attention and resources from laboratory scientists. To help address these challenges and improve efficiency, we have innovated, developed and implemented a novel and flexible automation platform that integrates a robotic plate handling platform, HPLC or UPLC system, mass spectrometer and an automated fraction collector. PMID:22723932

  20. A unique automation platform for measuring low level radioactivity in metabolite identification studies.

    Directory of Open Access Journals (Sweden)

    Joel Krauser

    Full Text Available Generation and interpretation of biotransformation data on drugs, i.e. identification of physiologically relevant metabolites, defining metabolic pathways and elucidation of metabolite structures, have become increasingly important to the drug development process. Profiling using (14C or (3H radiolabel is defined as the chromatographic separation and quantification of drug-related material in a given biological sample derived from an in vitro, preclinical in vivo or clinical study. Metabolite profiling is a very time intensive activity, particularly for preclinical in vivo or clinical studies which have defined limitations on radiation burden and exposure levels. A clear gap exists for certain studies which do not require specialized high volume automation technologies, yet these studies would still clearly benefit from automation. Use of radiolabeled compounds in preclinical and clinical ADME studies, specifically for metabolite profiling and identification are a very good example. The current lack of automation for measuring low level radioactivity in metabolite profiling requires substantial capacity, personal attention and resources from laboratory scientists. To help address these challenges and improve efficiency, we have innovated, developed and implemented a novel and flexible automation platform that integrates a robotic plate handling platform, HPLC or UPLC system, mass spectrometer and an automated fraction collector.

  1. Unambiguous Metabolite Identification in High-Throughput Metabolomics by Hybrid 1H-NMR/ESI-MS1 Approach

    Energy Technology Data Exchange (ETDEWEB)

    2016-10-18

    The invention improves accuracy of metabolite identification by combining direct infusion ESI-MS with one-dimensional 1H-NMR spectroscopy. First, we apply a standard 1H-NMR metabolite identification protocol by matching the chemical shift, J-coupling and intensity information of experimental NMR signals against the NMR signals of standard metabolites in a metabolomics reference libraries. This generates a list of candidate metabolites. The list contains both false positive and ambiguous identifications. The software tool (the invention) takes the list of candidate metabolites, generated from NMRbased metabolite identification, and then calculates, for each of the candidate metabolites, the monoisotopic mass-tocharge (m/z) ratios for each commonly observed ion, fragment and adduct feature. These are then used to assign m/z ratios in experimental ESI-MS spectra of the same sample. Detection of the signals of a given metabolite in both NMR and MS spectra resolves the ambiguities, and therefore, significantly improves the confidence of the identification.

  2. Thermographic identification of wetted insulation on pipelines in the arctic oilfields

    Science.gov (United States)

    Miles, Jonathan J.; Dahlquist, A. L.; Dash, L. C.

    2006-04-01

    Steel pipes used at Alaskan oil-producing facilities to transport production crude, gas, and injection water between well house and drill site manifold building, and along cross-country lines to and from central processing facilities, must be insulated in order to protect against the severely cold temperatures that are common during the arctic winter. A problem inherent with this system is that the sealed joints between adjacent layers of the outer wrap will over time degrade and can allow water to breach the system and migrate into and through the insulation. The moisture can ultimately interact with the steel pipe and trigger external corrosion which, if left unchecked, can lead to pipe failure and spillage. A New Technology Evaluation Guideline prepared for ConocoPhillips Alaska, Inc. in 2001 is intended to guide the consideration of new technologies for pipeline inspection in a manner that is safer, faster, and more cost-effective than existing techniques. Infrared thermography (IRT) was identified as promising for identification of wetted insulation regions given that it offers the means to scan a large area quickly from a safe distance, and measure the temperature field associated with that area. However, it was also recognized that there are limiting factors associated with an IRT-based approach including instrument sensitivity, cost, portability, functionality in hostile (arctic) environments, and training required for proper interpretation of data. A methodology was developed and tested in the field that provides a technique to conduct large-scale screening for wetted regions along insulated pipelines. The results of predictive modeling analysis and testing demonstrate the feasibility under certain condition of identifying wetted insulation areas. The results of the study and recommendations for implementation are described.

  3. Post-acquisition data mining techniques for LC-MS/MS-acquired data in drug metabolite identification.

    Science.gov (United States)

    Dhurjad, Pooja Sukhdev; Marothu, Vamsi Krishna; Rathod, Rajeshwari

    2017-08-01

    Metabolite identification is a crucial part of the drug discovery process. LC-MS/MS-based metabolite identification has gained widespread use, but the data acquired by the LC-MS/MS instrument is complex, and thus the interpretation of data becomes troublesome. Fortunately, advancements in data mining techniques have simplified the process of data interpretation with improved mass accuracy and provide a potentially selective, sensitive, accurate and comprehensive way for metabolite identification. In this review, we have discussed the targeted (extracted ion chromatogram, mass defect filter, product ion filter, neutral loss filter and isotope pattern filter) and untargeted (control sample comparison, background subtraction and metabolomic approaches) post-acquisition data mining techniques, which facilitate the drug metabolite identification. We have also discussed the importance of integrated data mining strategy.

  4. A Rough Guide to Metabolite Identification Using High Resolution Liquid Chromatography Mass Spectrometry in Metabolomic Profiling in Metazoans

    Directory of Open Access Journals (Sweden)

    David G Watson

    2013-01-01

    Full Text Available Compound identification in mass spectrometry based metabolomics can be a problem but sometimes the problem seems to be presented in an over complicated way. The current review focuses on metazoans where the range of metabolites is more restricted than for example in plants. The focus is on liquid chromatography with high resolution mass spectrometry where it is proposed that most of the problems in compound identification relate to structural isomers rather than to isobaric compounds. Thus many of the problems faced relate to separation of isomers, which is usually required even if fragmentation is used to support structural identification. Many papers report the use of MS/MS or MS2 as an adjunct to the identification of known metabolites but there a few examples in metabolomics studies of metazoans of complete structure elucidation of novel metabolites or metabolites where no authentic standards are available for comparison.

  5. Identification of natural metabolites in mixture: a pattern recognition strategy based on (13)C NMR.

    Science.gov (United States)

    Hubert, Jane; Nuzillard, Jean-Marc; Purson, Sylvain; Hamzaoui, Mahmoud; Borie, Nicolas; Reynaud, Romain; Renault, Jean-Hugues

    2014-03-18

    Because of their highly complex metabolite profile, the chemical characterization of bioactive natural extracts usually requires time-consuming multistep purification procedures to achieve the structural elucidation of pure individual metabolites. The aim of the present work was to develop a dereplication strategy for the identification of natural metabolites directly within mixtures. Exploiting the polarity range of metabolites, the principle was to rapidly fractionate a multigram quantity of a crude extract by centrifugal partition extraction (CPE). The obtained fractions of simplified chemical composition were subsequently analyzed by (13)C NMR. After automatic collection and alignment of (13)C signals across spectra, hierarchical clustering analysis (HCA) was performed for pattern recognition. As a result, strong correlations between (13)C signals of a single structure within the mixtures of the fraction series were visualized as chemical shift clusters. Each cluster was finally assigned to a molecular structure with the help of a locally built (13)C NMR chemical shift database. The proof of principle of this strategy was achieved on a simple model mixture of commercially available plant secondary metabolites and then applied to a bark extract of the African tree Anogeissus leiocarpus Guill. & Perr. (Combretaceae). Starting from 5 g of this genuine extract, the fraction series was generated by CPE in only 95 min. (13)C NMR analyses of all fractions followed by pattern recognition of (13)C chemical shifts resulted in the unambiguous identification of seven major compounds, namely, sericoside, trachelosperogenin E, ellagic acid, an epimer mixture of (+)-gallocatechin and (-)-epigallocatechin, 3,3'-di-O-methylellagic acid 4'-O-xylopyranoside, and 3,4,3'-tri-O-methylflavellagic acid 4'-O-glucopyranoside.

  6. Identification of N-acyl-fumonisin B1 as new cytotoxic metabolites of fumonisin mycotoxins.

    Science.gov (United States)

    Harrer, Henning; Laviad, Elad L; Humpf, Hans Ulrich; Futerman, Anthony H

    2013-03-01

    Fumonisins are mycotoxins produced by Fusarium species. The predominant derivative, fumonisin B1 (FB1), occurs in food and feed and is of health concern due to its hepatotoxic and carcinogenic effects. However, the role of FB1 metabolites on the mechanism of the toxicity, the inhibition of the ceramide synthesis, is unknown. The aim of this study was to identify new fumonisin metabolites and to evaluate their cytotoxic potential. MS, molecular biology, and in vitro enzyme assays were used to investigate fumonisin metabolism in mammalian cells overexpressing human ceramide synthase (CerS) genes. N-acyl-FB1 derivatives were detected as new metabolites in cultured cells at levels of up to 10 pmol/mg of protein. The N-acylation of FB1 and hydrolyzed FB1 was analyzed in several cell lines, including cells overexpressing CerS. The acyl-chain length of the N-acyl fumonisins depends on the CerS isoform acylating them. The N-acyl fumonisins are more cytotoxic than the parent fumonisin B1. The identification of N-acyl fumonisins with various acyl chain lengths together with the observed cytotoxicity of these compounds is a new aspect of fumonisin-related toxicity. Therefore, these new metabolites might play an important role in the mode of action of fumonisins. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. VISPA2: a scalable pipeline for high-throughput identification and annotation of vector integration sites.

    Science.gov (United States)

    Spinozzi, Giulio; Calabria, Andrea; Brasca, Stefano; Beretta, Stefano; Merelli, Ivan; Milanesi, Luciano; Montini, Eugenio

    2017-11-25

    Bioinformatics tools designed to identify lentiviral or retroviral vector insertion sites in the genome of host cells are used to address the safety and long-term efficacy of hematopoietic stem cell gene therapy applications and to study the clonal dynamics of hematopoietic reconstitution. The increasing number of gene therapy clinical trials combined with the increasing amount of Next Generation Sequencing data, aimed at identifying integration sites, require both highly accurate and efficient computational software able to correctly process "big data" in a reasonable computational time. Here we present VISPA2 (Vector Integration Site Parallel Analysis, version 2), the latest optimized computational pipeline for integration site identification and analysis with the following features: (1) the sequence analysis for the integration site processing is fully compliant with paired-end reads and includes a sequence quality filter before and after the alignment on the target genome; (2) an heuristic algorithm to reduce false positive integration sites at nucleotide level to reduce the impact of Polymerase Chain Reaction or trimming/alignment artifacts; (3) a classification and annotation module for integration sites; (4) a user friendly web interface as researcher front-end to perform integration site analyses without computational skills; (5) the time speedup of all steps through parallelization (Hadoop free). We tested VISPA2 performances using simulated and real datasets of lentiviral vector integration sites, previously obtained from patients enrolled in a hematopoietic stem cell gene therapy clinical trial and compared the results with other preexisting tools for integration site analysis. On the computational side, VISPA2 showed a > 6-fold speedup and improved precision and recall metrics (1 and 0.97 respectively) compared to previously developed computational pipelines. These performances indicate that VISPA2 is a fast, reliable and user-friendly tool for

  8. Facile mutant identification via a single parental backcross method and application of whole genome sequencing based mapping pipelines

    Directory of Open Access Journals (Sweden)

    Robert Silas Allen

    2013-09-01

    Full Text Available Forward genetic screens have identified numerous genes involved in development and metabolism, and remain a cornerstone of biological research. However to locate a causal mutation, the practice of crossing to a polymorphic background to generate a mapping population can be problematic if the mutant phenotype is difficult to recognise in the hybrid F2 progeny, or dependent on parental specific traits. Here in a screen for leaf hyponasty mutants, we have performed a single backcross of an Ethane Methyl Sulphonate (EMS generated hyponastic mutant to its parent. Whole genome deep sequencing of a bulked homozygous F2 population and analysis via the Next Generation EMS mutation mapping pipeline (NGM unambiguously determined the causal mutation to be a single nucleotide polymorphisim (SNP residing in HASTY, a previously characterised gene involved in microRNA biogenesis. We have evaluated the feasibility of this backcross approach using three additional SNP mapping pipelines; SHOREmap, the GATK pipeline, and the samtools pipeline. Although there was variance in the identification of EMS SNPs, all returned the same outcome in clearly identifying the causal mutation in HASTY. The simplicity of performing a single parental backcross and genome sequencing a small pool of segregating mutants has great promise for identifying mutations that may be difficult to map using conventional approaches.

  9. Separation and identification of corticosterone metabolites by liquid chromatography--electrospray ionization mass spectrometry.

    Science.gov (United States)

    Miksík, I; Vylitová, M; Pácha, J; Deyl, Z

    1999-04-16

    High-performance liquid chromatography coupled to atmospheric pressure ionization-electrospray ionization mass spectrometry (API-ESI-MS) was investigated for the analysis of corticosterone metabolites; their characterization was obtained by combining the separation on Zorbax Eclipse XDB C18 column (eluted with a methanol-water-acetic acid gradient) with identification using positive ion mode API-ESI-MS and selected ion analysis. The applicability of this method was verified by monitoring the activity of steroid converting enzymes (20beta-hydroxysteroid dehydrogenase and 11beta-hydroxysteroid dehydrogenase) in avian intestines.

  10. Grains colonised by moulds: fungal identification and headspace analysis of produced volatile metabolites

    Directory of Open Access Journals (Sweden)

    Maria Paola Tampieri

    2010-01-01

    Full Text Available The aim of this work was to verify if the headspace analysis of fungal volatile compounds produced by some species of Fusarium can be used as a marker of mould presence on maize. Eight samples of maize (four yellow maize from North Italy and four white maize from Hungary, naturally contaminated by Fusarium and positive for the presence of fumonisins, were analyzed to detect moisture content, Aw, volatile metabolites and an enumeration of viable moulds was performed by means of a colony count technique. Headspace samples were analysed using a gas-chromatograph equipped with a capillary column TR-WAX to detect volatile metabolites of moulds. Furthermore macro and microscopic examination of the colonies was performed in order to distinguish, according to their morphology, the genera of the prevalent present moulds. Prevalent mould of eight samples was Fusarium, but other fungi, like Aspergillus, Penicillum and Mucoraceae, were observed. The metabolites produced by F.graminearum and F. moniliforme were Isobutyl-acetate, 3-Methyl-1-butanol and, only at 8 days, 3-Octanone. The incubation time can affect off flavour production in consequence of the presence of other moulds. Further studies on maize samples under different conditions are needed in order to establish the presence of moulds using the count technique and through the identification of volatile compounds.

  11. Identification of gut-derived metabolites of maslinic acid, a bioactive compound from Olea europaea L.

    Science.gov (United States)

    Lozano-Mena, Glòria; Sánchez-González, Marta; Parra, Andrés; Juan, M Emília; Planas, Joana M

    2016-09-01

    Maslinic acid has been described to exert a chemopreventive activity in colon cancer. Hereby, we determined maslinic acid and its metabolites in the rat intestine previous oral administration as a first step in elucidating whether this triterpene might be used as a nutraceutical. Maslinic acid was orally administered at 1, 2, and 5 mg/kg to male Sprague-Dawley for 2 days. At 24 h after the last administration, the content of the duodenum and jejunum, ileum, cecum, and colon was collected and extracted with methanol 80% prior to LC-APCI-MS analysis. The developed method was validated providing suitable sensitivity (LOQ of 5 nM), good recovery (97.8 ± 3.6%), linear correlation, and appropriate precision (< 9%). Maslinic acid was detected in all the segments with higher concentrations in the distal part of the intestine. LC-APCI-LTQ-ORBITRAP-MS allowed the identification of 11 gut-derived metabolites that were formed by mono-, dihydroxylation, and dehydrogenation reactions. Maslinic acid undergoes phase I reactions resulting in a majority of monohydroxylated metabolites without the presence of phase II derivatives. The high concentration of maslinic acid achieved in the intestine suggests that it could exert a beneficial effect in the prevention of colon cancer. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Patterns identification in supervisory systems of nuclear reactors installations and gas pipelines systems using self-organizing maps

    International Nuclear Information System (INIS)

    Doraskevicius Junior, Waldemar

    2005-01-01

    Self-Organizing Maps, SOM, of Kohonen were studied, implemented and tested with the aim of developing, for the energy branch, an effective tool especially for transient identification in nuclear reactors and for gas pipelines networks logistic supervision, by classifying operations and identifying transients or abnormalities. The digital system for the test was developed in Java platform, for the portability and scalability, and for belonging to free development platforms. The system, executed in personal computers, showed satisfactory results to aid in decision taking, by classifying IRIS (International Reactor Innovative and Secure) reactor operation conditions (data from simulator) and by classifying Southeast (owner: TRANSPETRO - Brazil) gas pipeline network. Various adaptations were needed for such business, as new topologies for the output layer of artificial neural network and particular preparation for the input data. (author)

  13. The application of NMR-based milk metabolite analysis in milk authenticity identification.

    Science.gov (United States)

    Li, Qiangqiang; Yu, Zunbo; Zhu, Dan; Meng, Xianghe; Pang, Xiumei; Liu, Yue; Frew, Russell; Chen, He; Chen, Gang

    2017-07-01

    Milk is an important food component in the human diet and is a target for fraud, including many unsafe practices. For example, the unscrupulous adulteration of soymilk into bovine and goat milk or of bovine milk into goat milk in order to gain profit without declaration is a health risk, as the adulterant source and sanitary history are unknown. A robust and fit-for-purpose technique is required to enforce market surveillance and hence protect consumer health. Nuclear magnetic resonance (NMR) is a powerful technique for characterization of food products based on measuring the profile of metabolites. In this study, 1D NMR in conjunction with multivariate chemometrics as well as 2D NMR was applied to differentiate milk types and to identify milk adulteration. Ten metabolites were found which differed among milk types, hence providing characteristic markers for identifying the milk. These metabolites were used to establish mathematical models for milk type differentiation. The limit of quantification (LOQ) of adulteration was 2% (v/v) for soymilk in bovine milk, 2% (v/v) for soymilk in goat milk and 5% (v/v) for bovine milk in goat milk, with relative standard deviation (RSD) less than 10%, which can meet the needs of daily inspection. The NMR method described here is effective for milk authenticity identification, and the study demonstrates that the NMR-based milk metabolite analysis approach provides a means of detecting adulteration at expected levels and can be used for dairy quality monitoring. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  14. Identification of phase-II metabolites of flavonoids by liquid chromatography-ion-mobility spectrometry-mass spectrometry.

    Science.gov (United States)

    Chalet, Clément; Hollebrands, Boudewijn; Janssen, Hans-Gerd; Augustijns, Patrick; Duchateau, Guus

    2018-01-01

    Flavonoids are a class of natural compounds with a broad range of potentially beneficial health properties. They are subjected to an extensive intestinal phase-II metabolism, i.e., conjugation to glucuronic acid, sulfate, and methyl groups. Flavonoids and their metabolites can interact with drug transporters and thus interfere with drug absorption, causing food-drug interactions. The site of metabolism plays a key role in the activity, but the identification of the various metabolites remains a challenge. Here, we developed an analytical method to identify the phase-II metabolites of structurally similar flavonoids. We used liquid chromatography-ion-mobility spectrometry-mass spectrometry (LC-IMS-MS) analysis to identify phase-II metabolites of flavonols, flavones, and catechins produced by HT29 cells. We showed that IMS could bring valuable structural information on the different positional isomers of the flavonols and flavones. The position of the glucuronide moiety had a strong influence on the collision cross section (CCS) of the metabolites, with only minor contribution of hydroxyl and methyl moieties. For the catechins, fragmentation data obtained from MS/MS analysis appeared more useful than IMS to determine the structure of the metabolites, mostly due to the high number of metabolites formed. Nevertheless, CCS information as a molecular fingerprint proved to be useful to identify peaks from complex mixtures. LC-IMS-MS thus appears as a valuable tool for the identification of phase-II metabolites of flavonoids. Graphical abstract Structural identification of phase-II metabolites of flavonoids using LC-IMS-MS.

  15. Recent Advances in Mass Spectrometry for the Identification of Neuro-chemicals and their Metabolites in Biofluids.

    Science.gov (United States)

    Kailasa, Suresh Kumar; Wu, Hui-Fen

    2013-07-01

    Recently, mass spectrometric related techniques have been widely applied for the identification and quantification of neurochemicals and their metabolites in biofluids. This article presents an overview of mass spectrometric techniques applied in the detection of neurological substances and their metabolites from biological samples. In addition, the advances of chromatographic methods (LC, GC and CE) coupled with mass spectrometric techniques for analysis of neurochemicals in pharmaceutical and biological samples are also discussed.

  16. Subpathway-GM: identification of metabolic subpathways via joint power of interesting genes and metabolites and their topologies within pathways.

    Science.gov (United States)

    Li, Chunquan; Han, Junwei; Yao, Qianlan; Zou, Chendan; Xu, Yanjun; Zhang, Chunlong; Shang, Desi; Zhou, Lingyun; Zou, Chaoxia; Sun, Zeguo; Li, Jing; Zhang, Yunpeng; Yang, Haixiu; Gao, Xu; Li, Xia

    2013-05-01

    Various 'omics' technologies, including microarrays and gas chromatography mass spectrometry, can be used to identify hundreds of interesting genes, proteins and metabolites, such as differential genes, proteins and metabolites associated with diseases. Identifying metabolic pathways has become an invaluable aid to understanding the genes and metabolites associated with studying conditions. However, the classical methods used to identify pathways fail to accurately consider joint power of interesting gene/metabolite and the key regions impacted by them within metabolic pathways. In this study, we propose a powerful analytical method referred to as Subpathway-GM for the identification of metabolic subpathways. This provides a more accurate level of pathway analysis by integrating information from genes and metabolites, and their positions and cascade regions within the given pathway. We analyzed two colorectal cancer and one metastatic prostate cancer data sets and demonstrated that Subpathway-GM was able to identify disease-relevant subpathways whose corresponding entire pathways might be ignored using classical entire pathway identification methods. Further analysis indicated that the power of a joint genes/metabolites and subpathway strategy based on their topologies may play a key role in reliably recalling disease-relevant subpathways and finding novel subpathways.

  17. Various extraction and analytical techniques for isolation and identification of secondary metabolites from Nigella sativa seeds.

    Science.gov (United States)

    Liu, X; Abd El-Aty, A M; Shim, J-H

    2011-10-01

    Nigella sativa L. (black cumin), commonly known as black seed, is a member of the Ranunculaceae family. This seed is used as a natural remedy in many Middle Eastern and Far Eastern countries. Extracts prepared from N. sativa have, for centuries, been used for medical purposes. Thus far, the organic compounds in N. sativa, including alkaloids, steroids, carbohydrates, flavonoids, fatty acids, etc. have been fairly well characterized. Herein, we summarize some new extraction techniques, including microwave assisted extraction (MAE) and supercritical extraction techniques (SFE), in addition to the classical method of hydrodistillation (HD), which have been employed for isolation and various analytical techniques used for the identification of secondary metabolites in black seed. We believe that some compounds contained in N. sativa remain to be identified, and that high-throughput screening could help to identify new compounds. A study addressing environmentally-friendly techniques that have minimal or no environmental effects is currently underway in our laboratory.

  18. Identification of failure type in corroded pipelines: a bayesian probabilistic approach.

    Science.gov (United States)

    Breton, T; Sanchez-Gheno, J C; Alamilla, J L; Alvarez-Ramirez, J

    2010-07-15

    Spillover of hazardous materials from transport pipelines can lead to catastrophic events with serious and dangerous environmental impact, potential fire events and human fatalities. The problem is more serious for large pipelines when the construction material is under environmental corrosion conditions, as in the petroleum and gas industries. In this way, predictive models can provide a suitable framework for risk evaluation, maintenance policies and substitution procedure design that should be oriented to reduce increased hazards. This work proposes a bayesian probabilistic approach to identify and predict the type of failure (leakage or rupture) for steel pipelines under realistic corroding conditions. In the first step of the modeling process, the mechanical performance of the pipe is considered for establishing conditions under which either leakage or rupture failure can occur. In the second step, experimental burst tests are used to introduce a mean probabilistic boundary defining a region where the type of failure is uncertain. In the boundary vicinity, the failure discrimination is carried out with a probabilistic model where the events are considered as random variables. In turn, the model parameters are estimated with available experimental data and contrasted with a real catastrophic event, showing good discrimination capacity. The results are discussed in terms of policies oriented to inspection and maintenance of large-size pipelines in the oil and gas industry. 2010 Elsevier B.V. All rights reserved.

  19. Identification of ionic chloroacetanilide-herbicide metabolites in surface water and groundwater by HPLC/MS using negative ion spray

    Science.gov (United States)

    Ferrer, I.; Thurman, E.M.; Barcelo, D.

    1997-01-01

    Solid-phase extraction (SPE) was combined with high-performance liquid chromatography/high-flow pneumatically assisted electrospray mass spectrometry (HPLC/ESP/MS) for the trace analysis of oxanilic and sulfonic acids of acetochlor, alachlor, and metolachlor. The isolation procedure separated the chloroacetanilide metabolites from the parent herbicides during the elution from C18 cartridges using ethyl acetate for parent compounds, followed by methanol for the anionic metabolites. The metabolites were separated chromatographically using reversed-phase HPLC and analyzed by negative-ion MS using electrospray ionization in selected ion mode. Quantitation limits were 0.01 ??g/L for both the oxanilic and sulfonic acids based on a 100-mL water sample. This combination of methods represents an important advance in environmental analysis of chloroacetanilide-herbicide metabolites in surface water and groundwater for two reasons. First, anionic chloroacetanilide metabolites are a major class of degradation products that are readily leached to groundwater in agricultural areas. Second, anionic metabolites, which are not able to be analyzed by conventional methods such as liquid extraction and gas chromatography/mass spectrometry, are effectively analyzed by SPE and high-flow pneumatically assisted electrospray mass spectrometry. This paper reports the first HPLC/MS identification of these metabolites in surface water and groundwater.

  20. Identification and quantification of bio-actives and metabolites in physiological matrices by automated HPLC-MS

    NARCIS (Netherlands)

    van Platerink, C.J.

    2010-01-01

    Identification and quantification of bio-actives and metabolites in physiological matrices by automated HPLC-MS > Food plays an important role in human health. Nowadays there is an increasing interest in the health effects of so-calles functional foods, e.g. effects on blood pressure, cholesterol

  1. Towards Plant Species Identification in Complex Samples: A Bioinformatics Pipeline for the Identification of Novel Nuclear Barcode Candidates.

    Directory of Open Access Journals (Sweden)

    Alexandre Angers-Loustau

    Full Text Available Monitoring of the food chain to fight fraud and protect consumer health relies on the availability of methods to correctly identify the species present in samples, for which DNA barcoding is a promising candidate. The nuclear genome is a rich potential source of barcode targets, but has been relatively unexploited until now. Here, we show the development and use of a bioinformatics pipeline that processes available genome sequences to automatically screen large numbers of input candidates, identifies novel nuclear barcode targets and designs associated primer pairs, according to a specific set of requirements. We applied this pipeline to identify novel barcodes for plant species, a kingdom for which the currently available solutions are known to be insufficient. We tested one of the identified primer pairs and show its capability to correctly identify the plant species in simple and complex samples, validating the output of our approach.

  2. Identification and quantification of predominant metabolites of synthetic cannabinoid MAB-CHMINACA in an authentic human urine specimen.

    Science.gov (United States)

    Hasegawa, Koutaro; Minakata, Kayoko; Gonmori, Kunio; Nozawa, Hideki; Yamagishi, Itaru; Watanabe, Kanako; Suzuki, Osamu

    2018-02-01

    An autopsy case in which the cause of death was judged as drug poisoning by two synthetic cannabinoids, including MAB-CHMINACA, was investigated. Although unchanged MAB-CHMINACA could be detected from solid tissues, blood and stomach contents in the case, the compound could not be detected from a urine specimen. We obtained six kinds of reference standards of MAB-CHMINACA metabolites from a commercial source. The MAB-CHMINACA metabolites from the urine specimen of the abuser were extracted using a QuEChERS method including dispersive solid-phase extraction, and analyzed by liquid chromatography-tandem mass spectrometry with or without hydrolysis with β-glucuronidase. Among the six MAB-CHMINACA metabolites tested, two predominant metabolites could be identified and quantified in the urine specimen of the deceased. After hydrolysis with β-glucuronidase, an increase of the two metabolites was not observed. The metabolites detected were a 4-monohydroxycyclohexylmethyl metabolite M1 (N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1H-indazole-3-carboxamide) and a dihydroxyl (4-hydroxycyclohexylmethyl and tert-butylhydroxyl) metabolite M11 (N-(1-amino-4-hydroxy-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1H-indazole-3-carboxamide). Their concentrations were 2.17 ± 0.15 and 10.2 ± 0.3 ng/mL (n = 3, each) for M1 and M11, respectively. Although there is one previous in vitro study showing the estimation of metabolism of MAB-CHMINACA using human hepatocytes, this is the first report dealing with in vivo identification and quantification of MAB-CHMINACA metabolites in an authentic human urine specimen. Copyright © 2017 John Wiley & Sons, Ltd.

  3. Identification and Characterization of CINPA1 Metabolites Facilitates Structure-Activity Studies of the Constitutive Androstane Receptor

    Science.gov (United States)

    Cherian, Milu T.; Yang, Lei; Chai, Sergio C.; Lin, Wenwei

    2016-01-01

    The constitutive androstane receptor (CAR) regulates the expression of genes involved in drug metabolism and other processes. A specific inhibitor of CAR is critical for modulating constitutive CAR activity. We recently described a specific small-molecule inhibitor of CAR, CINPA1 (ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate), which is capable of reducing CAR-mediated transcription by changing the coregulator recruitment pattern and reducing CAR occupancy at the promoter regions of its target genes. In this study, we showed that CINPA1 is converted to two main metabolites in human liver microsomes. By using cell-based reporter gene and biochemical coregulator recruitment assays, we showed that although metabolite 1 was very weak in inhibiting CAR function and disrupting CAR-coactivator interaction, metabolite 2 was inactive in this regard. Docking studies using the CAR ligand-binding domain structure showed that although CINPA1 and metabolite 1 can bind in the CAR ligand-binding pocket, metabolite 2 may be incapable of the molecular interactions required for binding. These results indicate that the metabolites of CINPA1 may not interfere with the action of CINPA1. We also used in vitro enzyme assays to identify the cytochrome P450 enzymes responsible for metabolizing CINPA1 in human liver microsomes and showed that CINPA1 was first converted to metabolite 1 by CYP3A4 and then further metabolized by CYP2D6 to metabolite 2. Identification and characterization of the metabolites of CINPA1 enabled structure-activity relationship studies of this family of small molecules and provided information to guide in vivo pharmacological studies. PMID:27519550

  4. Identification and Characterization of CINPA1 Metabolites Facilitates Structure-Activity Studies of the Constitutive Androstane Receptor.

    Science.gov (United States)

    Cherian, Milu T; Yang, Lei; Chai, Sergio C; Lin, Wenwei; Chen, Taosheng

    2016-11-01

    The constitutive androstane receptor (CAR) regulates the expression of genes involved in drug metabolism and other processes. A specific inhibitor of CAR is critical for modulating constitutive CAR activity. We recently described a specific small-molecule inhibitor of CAR, CINPA1 (ethyl (5-(diethylglycyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate), which is capable of reducing CAR-mediated transcription by changing the coregulator recruitment pattern and reducing CAR occupancy at the promoter regions of its target genes. In this study, we showed that CINPA1 is converted to two main metabolites in human liver microsomes. By using cell-based reporter gene and biochemical coregulator recruitment assays, we showed that although metabolite 1 was very weak in inhibiting CAR function and disrupting CAR-coactivator interaction, metabolite 2 was inactive in this regard. Docking studies using the CAR ligand-binding domain structure showed that although CINPA1 and metabolite 1 can bind in the CAR ligand-binding pocket, metabolite 2 may be incapable of the molecular interactions required for binding. These results indicate that the metabolites of CINPA1 may not interfere with the action of CINPA1. We also used in vitro enzyme assays to identify the cytochrome P450 enzymes responsible for metabolizing CINPA1 in human liver microsomes and showed that CINPA1 was first converted to metabolite 1 by CYP3A4 and then further metabolized by CYP2D6 to metabolite 2. Identification and characterization of the metabolites of CINPA1 enabled structure-activity relationship studies of this family of small molecules and provided information to guide in vivo pharmacological studies. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.

  5. Identification of organic compounds migrating from polyethylene pipelines into drinking water

    DEFF Research Database (Denmark)

    Brocca, D.; Arvin, Erik; Mosbæk, Hans

    2002-01-01

    A study of the diffusion of organic additives from four polyethylene (PE) materials into drinking water was conducted. Various structures of organic chemicals were identified in the water extracts by means of gas chromatography–mass spectrometry analysis. Most of them presented a basic common......, in order to investigate the origin of the chemicals detected in the water samples. Consequently, the presence of some of the compounds was attributed to impurities or by-products of typical phenolic additives used as antioxidants in pipeline production. Finally, the occurrence of the identified chemicals...... was tested under field conditions, i.e. in water samples from newly installed pipelines in a distribution system. Here, the presence of three of the compounds identified in vitro was detected. r 2002 Elsevier Science Ltd. All rights reserved....

  6. Computational analyses of spectral trees from electrospray multi-stage mass spectrometry to aid metabolite identification.

    Science.gov (United States)

    Cao, Mingshu; Fraser, Karl; Rasmussen, Susanne

    2013-10-31

    Mass spectrometry coupled with chromatography has become the major technical platform in metabolomics. Aided by peak detection algorithms, the detected signals are characterized by mass-over-charge ratio (m/z) and retention time. Chemical identities often remain elusive for the majority of the signals. Multi-stage mass spectrometry based on electrospray ionization (ESI) allows collision-induced dissociation (CID) fragmentation of selected precursor ions. These fragment ions can assist in structural inference for metabolites of low molecular weight. Computational investigations of fragmentation spectra have increasingly received attention in metabolomics and various public databases house such data. We have developed an R package "iontree" that can capture, store and analyze MS2 and MS3 mass spectral data from high throughput metabolomics experiments. The package includes functions for ion tree construction, an algorithm (distMS2) for MS2 spectral comparison, and tools for building platform-independent ion tree (MS2/MS3) libraries. We have demonstrated the utilization of the package for the systematic analysis and annotation of fragmentation spectra collected in various metabolomics platforms, including direct infusion mass spectrometry, and liquid chromatography coupled with either low resolution or high resolution mass spectrometry. Assisted by the developed computational tools, we have demonstrated that spectral trees can provide informative evidence complementary to retention time and accurate mass to aid with annotating unknown peaks. These experimental spectral trees once subjected to a quality control process, can be used for querying public MS2 databases or de novo interpretation. The putatively annotated spectral trees can be readily incorporated into reference libraries for routine identification of metabolites.

  7. Identification of the urinary metabolites of 4-bromoaniline and 4-bromo-[carbonyl-13C]-acetanilide in rat.

    Science.gov (United States)

    Scarfe, G B; Nicholson, J K; Lindon, J C; Wilson, I D; Taylor, S; Clayton, E; Wright, B

    2002-04-01

    1. The urinary excretion of 4-bromoaniline and its [carbonyl-(13)C]-labelled N-acetanilide, together with their corresponding metabolites, have been investigated in the rat following i.p. administration at 50 mg kg(-1). 2. Metabolite profiling was performed by reversed-phase HPLC with UV detection, whilst identification was performed using a combination of enzymic hydrolysis and directly coupled HPLC-NMR-MS analysis. The urinary metabolite profile was quantitatively and qualitatively similar for both compounds with little of either excreted unchanged. 3. The major metabolite present in urine was 2-amino-5-bromophenylsulphate, but, in addition, a number of metabolites with modification of the N-acetyl moiety were identified (from both the [(13)C]-acetanilide or produced following acetylation of the free bromoaniline). 4. For 4-bromoacetanilide, N-deacetylation was a major route of metabolism, but despite the detection of the acetanilide following the administration of the free aniline, there was no evidence of reacetylation (futile deacetylation). 5. Metabolites resulting from the oxidation of the acetyl group included a novel glucuronide of an N-glycolanilide, an unusual N-oxanilic acid and a novel N-acetyl cysteine conjugate.

  8. Identification of glucuronides as in vivo liver conjugates of seven cannabinoids and some of their hydroxy and acid metabolites.

    Science.gov (United States)

    Harvey, D J; Martin, B R; Paton, W D

    1977-02-01

    Glucuronide conjugates of cannabidiol (CBD), 7-hydroxy-CBD, propyl-CBD, cannabinol (CBN), 7-hydroxy-CBN, CBN-7-oic acid, propyl CBN and cannabichromene have been identified as major metabolites of CBD, CBN and their propyl homologues and of cannabichromene in mouse liver. Trace amounts of the glucuronide conjugates of delta1- and delta1(6)-tetrahydrocannabinol (THC) were also detected. Identification was made by combined gas-liquid chromatographic and mass spectrometric studies of the trimethylsilyl (TMS), d9-TMS and methyl ester-TMS derivatives of the glucuronides and the TMS derivatives of the product of the reduction of the metabolites with lithium aluminium deuteride.

  9. MutAid: Sanger and NGS Based Integrated Pipeline for Mutation Identification, Validation and Annotation in Human Molecular Genetics.

    Directory of Open Access Journals (Sweden)

    Ram Vinay Pandey

    Full Text Available Traditional Sanger sequencing as well as Next-Generation Sequencing have been used for the identification of disease causing mutations in human molecular research. The majority of currently available tools are developed for research and explorative purposes and often do not provide a complete, efficient, one-stop solution. As the focus of currently developed tools is mainly on NGS data analysis, no integrative solution for the analysis of Sanger data is provided and consequently a one-stop solution to analyze reads from both sequencing platforms is not available. We have therefore developed a new pipeline called MutAid to analyze and interpret raw sequencing data produced by Sanger or several NGS sequencing platforms. It performs format conversion, base calling, quality trimming, filtering, read mapping, variant calling, variant annotation and analysis of Sanger and NGS data under a single platform. It is capable of analyzing reads from multiple patients in a single run to create a list of potential disease causing base substitutions as well as insertions and deletions. MutAid has been developed for expert and non-expert users and supports four sequencing platforms including Sanger, Illumina, 454 and Ion Torrent. Furthermore, for NGS data analysis, five read mappers including BWA, TMAP, Bowtie, Bowtie2 and GSNAP and four variant callers including GATK-HaplotypeCaller, SAMTOOLS, Freebayes and VarScan2 pipelines are supported. MutAid is freely available at https://sourceforge.net/projects/mutaid.

  10. MutAid: Sanger and NGS Based Integrated Pipeline for Mutation Identification, Validation and Annotation in Human Molecular Genetics.

    Science.gov (United States)

    Pandey, Ram Vinay; Pabinger, Stephan; Kriegner, Albert; Weinhäusel, Andreas

    2016-01-01

    Traditional Sanger sequencing as well as Next-Generation Sequencing have been used for the identification of disease causing mutations in human molecular research. The majority of currently available tools are developed for research and explorative purposes and often do not provide a complete, efficient, one-stop solution. As the focus of currently developed tools is mainly on NGS data analysis, no integrative solution for the analysis of Sanger data is provided and consequently a one-stop solution to analyze reads from both sequencing platforms is not available. We have therefore developed a new pipeline called MutAid to analyze and interpret raw sequencing data produced by Sanger or several NGS sequencing platforms. It performs format conversion, base calling, quality trimming, filtering, read mapping, variant calling, variant annotation and analysis of Sanger and NGS data under a single platform. It is capable of analyzing reads from multiple patients in a single run to create a list of potential disease causing base substitutions as well as insertions and deletions. MutAid has been developed for expert and non-expert users and supports four sequencing platforms including Sanger, Illumina, 454 and Ion Torrent. Furthermore, for NGS data analysis, five read mappers including BWA, TMAP, Bowtie, Bowtie2 and GSNAP and four variant callers including GATK-HaplotypeCaller, SAMTOOLS, Freebayes and VarScan2 pipelines are supported. MutAid is freely available at https://sourceforge.net/projects/mutaid.

  11. Identification of organic compounds migrating from polyethylene pipelines into drinking water.

    Science.gov (United States)

    Brocca, D; Arvin, E; Mosbaek, H

    2002-09-01

    A study of the diffusion of organic additives from four polyethylene (PE) materials into drinking water was conducted. Various structures of organic chemicals were identified in the water extracts by means of gas chromatography-mass spectrometry analysis. Most of them presented a basic common structure characterised by a phenolic ring typically substituted with hindered alkyl groups in positions 2 and 6 on the aromatic ring. The structures attributed to some of the chemicals have been confirmed using commercial or purposely synthesised standards. Unprocessed granules of raw PE were also analysed, in order to investigate the origin of the chemicals detected in the water samples. Consequently, the presence of some of the compounds was attributed to impurities or by-products of typical phenolic additives used as antioxidants in pipeline production. Finally, the occurrence of the identified chemicals was tested under field conditions, i.e. in water samples from newly installed pipelines in a distribution system. Here, the presence of three of the compounds identified in vitro was detected.

  12. Identification of differential metabolites in liquid diet fermented with Bacillus subtilis using gas chromatography time of flight mass spectrometry

    Directory of Open Access Journals (Sweden)

    Yuyong He

    2016-12-01

    Full Text Available Growth and health responses of pigs fed fermented liquid diet are not always consistent and causes for this issue are still not very clear. Metabolites produced at different fermentation time points should be one of the most important contributors. However, currently no literatures about differential metabolites of fermented liquid diet are reported. The aim of this experiment was to explore the difference of metabolites in a fermented liquid diet between different fermentation time intervals. A total of eighteen samples that collected from Bacillus subtilis fermented liquid diet on days 7, 21 and 35 respectively were used for the identification of metabolites by gas chromatography time of flight mass spectrometry (GC-TOF-MS. Fifteen differential metabolites including melibiose, sortitol, ribose, cellobiose, maltotriose, sorbose, isomaltose, maltose, fructose, d-glycerol-1-phosphate, 4-aminobutyric acid, beta-alanine, tyrosine, pyruvic acid and pantothenic acid were identified between 7-d samples and 21-d samples. The relative level of melibiose, ribose, maltotriose, d-glycerol-1-phosphate, tyrosine and pyruvic acid in samples collected on day 21 was significantly higher than that in samples collected on day 7 (P < 0.01, respectively. Eight differential metabolites including ribose, sorbose, galactinol, cellobiose, pyruvic acid, galactonic acid, pantothenic acid and guanosine were found between 21-d samples and 35-d samples. Samples collected on day 35 had a higher relative level of ribose than that in samples collected on day 21 (P < 0.01. In conclusion, many differential metabolites which have important effects on the growth and health of pigs are identified and findings contribute to explain the difference in feeding response of fermented liquid diet.

  13. Identification of Volatile Secondary Metabolites from an Endophytic Microfungus Aspergillus Nomius KUB105

    International Nuclear Information System (INIS)

    Lateef Adebola Azeez; Lateef Adebola Azeez; Sepiah Muid; Bolhassan Mohamad Hasnul

    2016-01-01

    Microfungi are a highly diverse group of micro-organisms and important components of the ecosystem with great potential for diverse metabolite production. During a survey of microfungi on leaves in a National Park in Sarawak, an uncommon endophytic microfungus Aspergillus nomius was encountered. The metabolite production of this microfungus was investigated by growing it in a liquid basal medium for 2 weeks. Gas Chromatography - Mass Spectrometry (GC-MS) and Fourier Transform Infrared (FTIR) profiling of the secondary metabolites produced by this microfungus in the liquid medium revealed the presence of 46 different secondary metabolites. The metabolites include saturated hydrocarbons, alkyl halides, alcohols and an unsaturated hydrocarbon. Majority of the metabolites produced were saturated hydrocarbons. Tetracosane, Icosane and 10-Methylicosane were the most abundant metabolites identified while heptadecane and 2,4-dimethylundecane were the least abundant respectively. This study is the first GC-MS and FTIR report of secondary metabolites from A. nomius. The results from this study confirm the ability of microfungi to produce diverse metabolites, including saturated hydrocarbons. (author)

  14. Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

    Science.gov (United States)

    Qiao, Xue; Wang, Qi; Wang, Shuang; Miao, Wen-juan; Li, Yan-jiao; Xiang, Cheng; Guo, De-an; Ye, Min

    2016-01-01

    Herbal medicines usually contain a large group of chemical components, which may be transformed into more complex metabolites in vivo. In this study, we proposed a knowledge-transmitting strategy for metabolites identification of compound formulas. Gegen-Qinlian Decoction (GQD) is a classical formula in traditional Chinese medicine (TCM). It is widely used to treat diarrhea and diabetes in clinical practice. However, only tens of metabolites could be detected using conventional approaches. To comprehensively identify the metabolites of GQD, a “compound to extract to formulation” strategy was established in this study. The metabolic pathways of single representative constituents in GQD were studied, and the metabolic rules were transmitted to chemically similar compounds in herbal extracts. After screening diversified metabolites from herb extracts, the knowledge was summarized to identify the metabolites of GQD. Tandem mass spectrometry (MSn), fragment-based scan (NL, PRE), and selected reaction monitoring (SRM) were employed to identify, screen, and monitor the metabolites, respectively. Using this strategy, we detected 131 GQD metabolites (85 were newly generated) in rats biofluids. Among them, 112 metabolites could be detected when GQD was orally administered at a clinical dosage (12.5 g/kg). This strategy could be used for systematic metabolites identification of complex Chinese medicine formulas. PMID:27996040

  15. Identification of AKB-48 and 5F-AKB-48 Metabolites in Authentic Human Urine Samples Using Human Liver Microsomes and Time of Flight Mass Spectrometry.

    Science.gov (United States)

    Vikingsson, Svante; Josefsson, Martin; Gréen, Henrik

    2015-01-01

    The occurrence of structurally related synthetic cannabinoids makes the identification of unique markers of drug intake particularly challenging. The aim of this study was to identify unique and abundant metabolites of AKB-48 and 5F-AKB-48 for toxicological screening in urine. Investigations of authentic urine samples from forensic cases in combination with human liver microsome (HLM) experiments were used for identification of metabolites. HLM incubations of AKB-48 and 5F-AKB-48 along with 35 urine samples from authentic cases were analyzed with liquid chromatography quadrupole tandem time of flight mass spectrometry. Using HLMs 41 metabolites of AKB-48 and 37 metabolites of 5F-AKB-48 were identified, principally represented by hydroxylation but also ketone formation and dealkylation. Monohydroxylated metabolites were replaced by di- and trihydroxylated metabolites within 30 min. The metabolites from the HLM incubations accounted for on average 84% (range, 67-100) and 91% (range, 71-100) of the combined area in the case samples for AKB-48 and 5F-AKB-48, respectively. While defluorinated metabolites accounted for on average 74% of the combined area after a 5F-AKB-48 intake only a few identified metabolites were shared between AKB-48 and 5F-AKB-48, illustrating the need for a systematic approach to identify unique metabolites. HLMs in combination with case samples seem suitable for this purpose. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  16. Identification of AKB-48 and 5F-AKB-48 Metabolites in Authentic Human Urine Samples Using Human Liver Microsomes and Time of Flight Mass Spectrometry

    OpenAIRE

    Vikingsson, Svante; Josefsson, Martin; Green, Henrik

    2015-01-01

    The occurrence of structurally related synthetic cannabinoids makes the identification of unique markers of drug intake particularly challenging. The aim of this study was to identify unique and abundant metabolites of AKB-48 and 5F-AKB-48 for toxicological screening in urine. Investigations of authentic urine samples from forensic cases in combination with human liver microsome (HLM) experiments were used for identification of metabolites. HLM incubations of AKB-48 and 5F-AKB-48 along with 3...

  17. In silico fragmentation for computer assisted identification of metabolite mass spectra

    Directory of Open Access Journals (Sweden)

    Müller-Hannemann Matthias

    2010-03-01

    Full Text Available Abstract Background Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to the precursor mass, tandem MS spectra carry informative fragment peaks, but the coverage of spectral libraries of measured reference compounds are far from covering the complete chemical space. Compound libraries such as PubChem or KEGG describe a larger number of compounds, which can be used to compare their in silico fragmentation with spectra of unknown metabolites. Results We created the MetFrag suite to obtain a candidate list from compound libraries based on the precursor mass, subsequently ranked by the agreement between measured and in silico fragments. In the evaluation MetFrag was able to rank most of the correct compounds within the top 3 candidates returned by an exact mass query in KEGG. Compared to a previously published study, MetFrag obtained better results than the commercial MassFrontier software. Especially for large compound libraries, the candidates with a good score show a high structural similarity or just different stereochemistry, a subsequent clustering based on chemical distances reduces this redundancy. The in silico fragmentation requires less than a second to process a molecule, and MetFrag performs a search in KEGG or PubChem on average within 30 to 300 seconds, respectively, on an average desktop PC. Conclusions We presented a method that is able to identify small molecules from tandem MS measurements, even without spectral reference data or a large set of fragmentation rules. With today's massive general purpose compound libraries we obtain dozens of very similar candidates, which still allows a confident estimate of the correct compound class. Our tool MetFrag improves the identification of unknown substances from tandem MS spectra and delivers better results than comparable commercial software. MetFrag is available through a web

  18. Biotransformation of the citrus flavone tangeretin in rats. Identification of metabolites with intact flavane nucleus

    DEFF Research Database (Denmark)

    Nielsen, S.E.; Breinholt, V.; Cornett, C.

    2000-01-01

    were separated and identified by HPLC and the structures elucidated by LC/MS and H-1 NMR. Ten new, major metabolites with intact flavonoid structure were identified. The metabolites identified were either demethylated or hydroxylated derivatives of the parent compound and metabolic changes were found...

  19. Application of ultra-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry in identification of three isoflavone glycosides and their corresponding metabolites.

    Science.gov (United States)

    Xu, Xiafen; Li, Xinhui; Liang, Xianrui

    2018-02-15

    Metabolites of isoflavones have attracted much attention in recent years due to their potential bioactivities. However, the complex constituents of the metabolic system and the low level of metabolites make them difficult to analyze. A mass spectrometry (MS) method was applied in our identification of metabolites and study of their fragmentation pathways due to the advantages of rapidity, sensitivity, and low level of sample consumption. Three isoflavone glycosides and their metabolites were identified using ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC/QTOF-MS). These metabolites were obtained by anaerobically incubating three isoflavone glycosides with human intestinal flora. The characteristic fragments of isoflavone glycosides and their metabolites were used for the identification work. Two metabolites from ononin, three metabolites from irilone-4'-O-β-D-glucoside, and five metabolites from sissotrin were identified respectively by the retention time (RT), accurate mass, and mass spectral fragmentation patterns. The losses of the glucosyl group, CO from the [M+H] + ion were observed for all the three isoflavone glycosides. The characteristic retro-Diels-Alder (RDA) fragmentation patterns were used to differentiate the compounds. The metabolic pathways of the three isoflavone glycosides were proposed according to the identified chemical structures of the metabolites. A selective, sensitive and rapid method was established for detecting and identifying three isoflavone glycosides and their metabolites using UPLC/QTOF-MS. The established method can be used for further rapid structural identification studies of metabolites and natural products. Furthermore, the proposed metabolic pathways will be helpful for understanding the in vivo metabolic process of isoflavone. Copyright © 2017 John Wiley & Sons, Ltd.

  20. Human metabolites of brevetoxin PbTx-2: Identification and confirmation of structure

    Science.gov (United States)

    Guo, Fujiang; An, Tianying; Rein, Kathleen S.

    2010-01-01

    Four metabolites were identified upon incubation of brevetoxin (PbTx-2) with human liver microsomes. Chemical transformation of PbTx-2 confirmed the structures of three known metabolites BTX-B5, PbTx-9 and 41, 43-dihydro-BTX-B5 and a previously unknown metabolite, 41, 43-dihydro-PbTx-2. These metabolites were also observed upon incubation of PbTx-2 with nine human recombinant cytochrome P450s (1A1, 1A2, 2C8, 2C9, 2C19, 2D6, 2E1, 3A4 and 3A5). Cytochrome P450 3A4 produced oxidized metabolites while other CYPs generated the reduced products. PMID:20600229

  1. Metabolism of a sea lamprey pesticide by fish liver enzymes part A: identification and synthesis of TFM metabolites.

    Science.gov (United States)

    Bussy, Ugo; Chung-Davidson, Yu-Wen; Buchinger, Tyler; Li, Ke; Smith, Scott A; Jones, A Daniel; Li, Weiming

    2018-02-01

    The sea lamprey (Petromyzon marinus) is a destructive invasive species in the Great Lakes that contributed to the collapse of native fish populations in the mid-1900s. 3-Trifluoromethyl-4-nitrophenol (TFM) is a selective pesticide that has been applied to sea lamprey infested tributaries of the Great Lakes to kill larvae since the 1960s and has reduced the populations by as much as 90%. However, the metabolism of TFM by sea lamprey and non-target species is not fully illuminated. Elucidation of TFM metabolism is critical for understanding its mode of action and possible environmental impact. Here, we describe the screening, identification, synthesis and structural characterization of TFM metabolites in livers from sea lamprey and three non-target species that differ in their ability to survive TFM exposure. We identified glucuronidation, sulfation, N-acetylation, glutathione conjugation, and aromatic nitro group reduction as potential detoxification mechanisms. Seven metabolites were synthesized for use as markers of TFM metabolism in fish. Quantitative 1 H NMR was used to assay synthesized metabolite stock solutions that were then used as standard material to develop a quantitative LC-MS/MS method for TFM metabolites.

  2. Pipeline engineering

    CERN Document Server

    Liu, Henry

    2003-01-01

    PART I: PIPE FLOWSINTRODUCTIONDefinition and Scope Brief History of PipelinesExisting Major PipelinesImportance of PipelinesFreight (Solids) Transport by PipelinesTypes of PipelinesComponents of PipelinesAdvantages of PipelinesReferencesSINGLE-PHASE INCOMPRESSIBLE NEWTONIAN FLUIDIntroductionFlow RegimesLocal Mean Velocity and Its Distribution (Velocity Profile)Flow Equations for One-Dimensional AnalysisHydraulic and Energy Grade LinesCavitation in Pipeline SystemsPipe in Series and ParallelInterconnected ReservoirsPipe NetworkUnsteady Flow in PipeSINGLE-PHASE COMPRESSIBLE FLOW IN PIPEFlow Ana

  3. NMR-Based Identification of Metabolites in Polar and Non-Polar Extracts of Avian Liver.

    Science.gov (United States)

    Fathi, Fariba; Brun, Antonio; Rott, Katherine H; Falco Cobra, Paulo; Tonelli, Marco; Eghbalnia, Hamid R; Caviedes-Vidal, Enrique; Karasov, William H; Markley, John L

    2017-11-16

    Metabolites present in liver provide important clues regarding the physiological state of an organism. The aim of this work was to evaluate a protocol for high-throughput NMR-based analysis of polar and non-polar metabolites from a small quantity of liver tissue. We extracted the tissue with a methanol/chloroform/water mixture and isolated the polar metabolites from the methanol/water layer and the non-polar metabolites from the chloroform layer. Following drying, we re-solubilized the fractions for analysis with a 600 MHz NMR spectrometer equipped with a 1.7 mm cryogenic probe. In order to evaluate the feasibility of this protocol for metabolomics studies, we analyzed the metabolic profile of livers from house sparrow ( Passer domesticus ) nestlings raised on two different diets: livers from 10 nestlings raised on a high protein diet (HP) for 4 d and livers from 12 nestlings raised on the HP diet for 3 d and then switched to a high carbohydrate diet (HC) for 1 d. The protocol enabled the detection of 52 polar and nine non-polar metabolites in ¹H NMR spectra of the extracts. We analyzed the lipophilic metabolites by one-way ANOVA to assess statistically significant concentration differences between the two groups. The results of our studies demonstrate that the protocol described here can be exploited for high-throughput screening of small quantities of liver tissue (approx. 100 mg wet mass) obtainable from small animals.

  4. A non-invasive identification of hormone metabolites, gonadal event and reproductive status of captive female tigers

    Directory of Open Access Journals (Sweden)

    HERI DWI PUTRANTO

    2011-07-01

    Full Text Available Putranto HD (2011 A non-invasive identification of hormone metabolites, gonadal event and reproductive status of captive female tigers. Biodiversitas 12: 131-135. As a non-invasive method, fecal sample provides some advantage for animal and collector. The purpose of the present study were to monitor the reproductive status of female Siberian tigers (Panthera tigris altaica by assessing changes in fecal during natural ovarian activity and pregnancy and to identify whether progesterone (P4 exists and what kinds of P4 metabolites excreted into the feces. Two female tigers were fed a diet consisting of meat. Drinking water was available ad libitum. Feces were collected ones to twice a week. The fecal contents of P4 and estradiol-17β (E2 were determined by EIA and P4 metabolites were separated by a modified HPLC. The EIA results shown that during its natural ovarian activitythe E2 contents showed cyclic changes at the average of 27.0 d interval, however, no distinct cycles were shown in fecal P4 contents of non-pregnant tiger. In contrary, the fecal P4 contents in pregnant tiger increased remarkably after copulation approximately 2- to 6-fold higher than the mean value. The HPLC results indicated that two peaks were primarily detected fraction 63- 64 min (identified metabolites and fraction 85 min (not identified metabolite in feces of pregnant tiger. However, P4 detected only small amount in feces. It is possible to assess non-invasively gonadal events such as luteal or follicular activity or ovulation of Siberian tigers by endocrine monitoring based on fecal P4 and E2 to understand reproductive status.

  5. Identification of Urinary Polyphenol Metabolite Patterns Associated with Polyphenol-Rich Food Intake in Adults from Four European Countries

    Directory of Open Access Journals (Sweden)

    Hwayoung Noh

    2017-07-01

    Full Text Available We identified urinary polyphenol metabolite patterns by a novel algorithm that combines dimension reduction and variable selection methods to explain polyphenol-rich food intake, and compared their respective performance with that of single biomarkers in the European Prospective Investigation into Cancer and Nutrition (EPIC study. The study included 475 adults from four European countries (Germany, France, Italy, and Greece. Dietary intakes were assessed with 24-h dietary recalls (24-HDR and dietary questionnaires (DQ. Thirty-four polyphenols were measured by ultra-performance liquid chromatography–electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS-MS in 24-h urine. Reduced rank regression-based variable importance in projection (RRR-VIP and least absolute shrinkage and selection operator (LASSO methods were used to select polyphenol metabolites. Reduced rank regression (RRR was then used to identify patterns in these metabolites, maximizing the explained variability in intake of pre-selected polyphenol-rich foods. The performance of RRR models was evaluated using internal cross-validation to control for over-optimistic findings from over-fitting. High performance was observed for explaining recent intake (24-HDR of red wine (r = 0.65; AUC = 89.1%, coffee (r = 0.51; AUC = 89.1%, and olives (r = 0.35; AUC = 82.2%. These metabolite patterns performed better or equally well compared to single polyphenol biomarkers. Neither metabolite patterns nor single biomarkers performed well in explaining habitual intake (as reported in the DQ of polyphenol-rich foods. This proposed strategy of biomarker pattern identification has the potential of expanding the currently still limited list of available dietary intake biomarkers.

  6. Identification of serum metabolites associated with risk of type 2 diabetes using a targeted metabolomic approach.

    Science.gov (United States)

    Floegel, Anna; Stefan, Norbert; Yu, Zhonghao; Mühlenbruch, Kristin; Drogan, Dagmar; Joost, Hans-Georg; Fritsche, Andreas; Häring, Hans-Ulrich; Hrabě de Angelis, Martin; Peters, Annette; Roden, Michael; Prehn, Cornelia; Wang-Sattler, Rui; Illig, Thomas; Schulze, Matthias B; Adamski, Jerzy; Boeing, Heiner; Pischon, Tobias

    2013-02-01

    Metabolomic discovery of biomarkers of type 2 diabetes (T2D) risk may reveal etiological pathways and help to identify individuals at risk for disease. We prospectively investigated the association between serum metabolites measured by targeted metabolomics and risk of T2D in the European Prospective Investigation into Cancer and Nutrition (EPIC)-Potsdam (27,548 adults) among all incident cases of T2D (n = 800, mean follow-up 7 years) and a randomly drawn subcohort (n = 2,282). Flow injection analysis tandem mass spectrometry was used to quantify 163 metabolites, including acylcarnitines, amino acids, hexose, and phospholipids, in baseline serum samples. Serum hexose; phenylalanine; and diacyl-phosphatidylcholines C32:1, C36:1, C38:3, and C40:5 were independently associated with increased risk of T2D and serum glycine; sphingomyelin C16:1; acyl-alkyl-phosphatidylcholines C34:3, C40:6, C42:5, C44:4, and C44:5; and lysophosphatidylcholine C18:2 with decreased risk. Variance of the metabolites was largely explained by two metabolite factors with opposing risk associations (factor 1 relative risk in extreme quintiles 0.31 [95% CI 0.21-0.44], factor 2 3.82 [2.64-5.52]). The metabolites significantly improved T2D prediction compared with established risk factors. They were further linked to insulin sensitivity and secretion in the Tübingen Family study and were partly replicated in the independent KORA (Cooperative Health Research in the Region of Augsburg) cohort. The data indicate that metabolic alterations, including sugar metabolites, amino acids, and choline-containing phospholipids, are associated early on with a higher risk of T2D.

  7. Comparative study of radio gas-chromatography and gas chromatography - mass spectrometry coupling in the identification of metabolites of estrogens and progesterone

    International Nuclear Information System (INIS)

    Adessi, G.; Nhuan, T.Q.; Jayle, M.F.

    1978-01-01

    Radio-gas chromatography (RGC) and gas chromatography-mass spectrometry (GC-MS) were used to identify estrogen and progesterone metabolites. The RGC enables the identification of metabolites of labelled precursors ( 3 H)-estradiol-17β and ( 14 C)-progesterone were used as precursors. The GC-MS analytical technique with mass fragmentography, offers the interest of using unlabelled precursors at physiological levels. The identification of metabolites was based on obtaining the mass spectrum or the compiled fragmentogram on the basis of the most characteristic fragment ions. More over, several metabolites can be quantified on the same fragmentogram. Results on the metabolism of estradiol-17β and progesterone by the hepatic tissue of guinea pigs are given. (Auth.)

  8. The use of stable isotopes and gas chromatography/mass spectrometry in the identification of steroid metabolites in the equine

    International Nuclear Information System (INIS)

    Houghton, E.; Dumasia, M.C.; Teale, P.; Smith, S.J.; Cox, J.; Marshall, D.; Gower, D.B.

    1990-01-01

    Stable isotope gas chromatography/mass spectrometry has been used successfully in the elucidation of structures of urinary steroid metabolites in the horse and in the identification of metabolites isolated from in vivo perfusion and in vitro incubation studies using equine tissue preparations. Deuterium-labeled steroids, testosterone, dehydroepiandrosterone, and 5-androstene-3 beta,17 beta-diol have been synthesized by base-catalyzed isotope exchange methods and the products characterized by gas chromatography/mass spectrometry. [16,16(-2)H2]Dehydroepiandrosterone (plus radiolabeled dehydroepiandrosterone) was perfused into a testicular artery of a pony stallion and was shown to be metabolized into 2H2-labeled testosterone, 4-androstenedione, isomers of 5-androstene-3,17-diol, 19-hydroxytestosterone, and 19-hydroxy-4-androstenedione. In further studies, equine testicular minces have been incubated with 2H2-labeled and radiolabeled dehydroepiandrosterone and 5-androstene-3 beta, 17 beta-diol. The metabolites, whose identity was confirmed by stable isotope gas chromatography/mass spectrometry, proved the interconversion of the two substrates, as well as formation of testosterone and 4-androstenedione. The aromatization of dehydroepiandrosterone was also confirmed, together with the formation of an isomer of 5(10)-estrene-3,17-diol from both substrates showing 19-demethylation without concomitant aromatization. In studies of the feto-placental unit, the allantochorion was shown to aromatize [2H5]testosterone to [2H4]estradiol, the loss of one 2H from the substrate being consistent with aromatization of the A ring. The formation of 6-hydroxyestradiol was also confirmed in this study. The same technique has been valuable in determining the structure of two metabolites of nandrolone isolated from horse urine

  9. Identification, quantification, and relative concentrations of carotenoids and their metabolites in human milk and serum.

    Science.gov (United States)

    Khachik, F; Spangler, C J; Smith, J C; Canfield, L M; Steck, A; Pfander, H

    1997-05-15

    Thirty-four carotenoids, including 13 geometrical isomers and eight metabolites, in breast milk and serum of three lactating mothers have been separated, identified, quantified, and compared by high-performance liquid chromatography (HPLC)-photodiode array (PDA) detection-mass spectrometry (MS). Among the metabolites were two oxidation products of lycopene and four of lutein/ zeaxanthin. In addition, two metabolites of lutein, formed as a result of dehydration of this dihydroxycarotenoid under acidic conditions similar to those of the stomach, have also been identified in plasma and breast milk. The oxidative metabolites of lycopene with a novel five-membered-ring end group have been identified as epimeric 2,6-cyclolycopene-1,5-diols by comparison of their HPLC-UV/visible-MS profiles with those of fully characterized (1H- and 13C-NMR spectroscopy) synthetic compounds. The HPLC procedures employed also detected vitamin A, two forms of vitamin E (gamma- and alpha-tocopherol), and two non-carotenoid food components, i.e., piperine and caffeine, in serum and breast milk.

  10. Metabolite Identification Using Automated Comparison of High-Resolution Multistage Mass Spectral Trees

    NARCIS (Netherlands)

    Rojas-Cherto, M.; Peironcely, J.E.; Kasper, P.T.; Hooft, van der J.J.J.; Vos, de R.C.H.; Vreeken, R.; Hankemeier, T.; Reijmers, T.

    2012-01-01

    Multistage mass spectrometry (MSn) generating so-called spectral trees is a powerful tool in the annotation and structural elucidation of metabolites and is increasingly used in the area of accurate mass LC/MS-based metabolomics to identify unknown, but biologically relevant, compounds. As a

  11. The simultaneous identification of metoprolol and its major acidic and basic metabolites in human urine by gas chromatography-mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Li, Feng; Cooper, S.F. [Universite du Quebec, Pointe-Claire (Canada)

    1996-12-31

    A novel gas chromatography-mass spectrometric (GC-MS) method was developed to confirm and identify metoprolol and its metabolites by double derivatization with S-(-)menthyl chloroformate [(-)-MCF] and N-methyl(trimethylsilyl-trifluoroacetamide) (MSTFA). This is the first report, which describes the simultaneous identification of metoprolol, its one major acidc and other basic metabolites in human urine based on solid-phase extraction with C{sub 18} reversed-phase cartridges. 12 refs., 4 figs.

  12. 75 FR 2926 - Pipeline Safety: Reporting Drug and Alcohol Test Results for Contractors and Multiple Operator...

    Science.gov (United States)

    2010-01-19

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... Operator Identification Numbers AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT... liquid, and carbon dioxide pipelines and liquefied natural gas facilities that the Pipeline and Hazardous...

  13. Extraction and Identification of Secondary Metabolites Produced by Trichoderma atroviridae (6022 and Evaluating of their Antifungal Effects

    Directory of Open Access Journals (Sweden)

    M. Shahiri Tabarestani

    2017-08-01

    capacity of Trichoderma species in crop protection and promoting vegetative growth, they are marketed as biopesticides, biofungicides and biofertilizers. The identification of molecules with such biological activities can support the development of new biopesticides and biofertilizers based on Trichoderma metabolites. The aim of this study was to investigate antifungal effects and chemical composition of secondary metabolites produced by Trichoderma atroviridae(6022 against Macrophomina phaseolina and Sclerotinia sclerotiorum. Materials and Methods: Antifungal effects of isolate 6022 against M. phaseolina and S. sclerotiorum were evaluated under invitro condition by dual culture technique, volatile (Dennis & Webster 1971 and non-volatile (Vinal 2006 metabolites. Volatile metabolites tests were done in 4 cases: Co-culture, 24, 48 and 72 hour cultures. For considering non-volatile metabolites of this isolate, different concentrations of culture filtrate and mycelial mass have been prepared in (autoclaved potato dextrose agar (PDA, individually. Secondary metabolites were extracted via 4 processes by using of organic solvents (Siddiquee 2012, Headspace technique (Stoppacher 2010 and soxhlet water bath distillation methods for mycelial mass (Dubey 2011 and identified by using the GC-MS device with nonpolar column (DB-5. Results and Discussion: In dual culture test, isolate 6022 inhibited the mycelial growth of the pathogen, then over ran and sporulated on the mycelia. The related results for the volatile test in 24, 48, 72h and Co-cultures, indicated that the antagonist inhibited the mycelial growth of the pathogen and production of sclerotia in culture media (PDA. Results of the non-volatile test (in different concentrations showed significant inhibitory effects on mycelial growth and production of sclerotia. After extraction and GC separation, the constituents of mixtures can be detected via mass spectrometry (MS by comparison of mass spectra with library spectra searching

  14. Dereplication of Natural Products Using GC-TOF Mass Spectrometry: Improved Metabolite Identification By Spectral Deconvolution Ratio Analysis

    Directory of Open Access Journals (Sweden)

    Fausto Carnevale Neto

    2016-09-01

    Full Text Available Dereplication based on hyphenated techniques has been extensively applied in plant metabolomics, avoiding re-isolation of known natural products. However, due to the complex nature of biological samples and their large concentration range, dereplication requires the use of chemometric tools to comprehensively extract information from the acquired data. In this work we developed a reliable GC-MS-based method for the identification of non-targeted plant metabolites by combining the Ratio Analysis of Mass Spectrometry deconvolution tool (RAMSY with Automated Mass Spectral Deconvolution and Identification System software (AMDIS. Plants species from Solanaceae, Chrysobalanaceae and Euphorbiaceae were selected as model systems due to their molecular diversity, ethnopharmacological potential and economical value. The samples were analyzed by GC-MS after methoximation and silylation reactions. Dereplication initiated with the use of a factorial design of experiments to determine the best AMDIS configuration for each sample, considering linear retention indices and mass spectral data. A heuristic factor (CDF, compound detection factor was developed and applied to the AMDIS results in order to decrease the false-positive rates. Despite the enhancement in deconvolution and peak identification, the empirical AMDIS method was not able to fully deconvolute all GC-peaks, leading to low MF values and/or missing metabolites. RAMSY was applied as a complementary deconvolution method to AMDIS to peaks exhibiting substantial overlap, resulting in recovery of low-intensity co-eluted ions. The results from this combination of optimized AMDIS with RAMSY attested to the ability of this approach as an improved dereplication method for complex biological samples such as plant extracts.

  15. Application of Fourier-transform ion cyclotron resonance mass spectrometry to metabolic profiling and metabolite identification.

    Science.gov (United States)

    Ohta, Daisaku; Kanaya, Shigehiko; Suzuki, Hideyuki

    2010-02-01

    Metabolomics, as an essential part of genomics studies, intends holistic understanding of metabolic networks through simultaneous analysis of a myriad of both known and unknown metabolites occurring in living organisms. The initial stage of metabolomics was designed for the reproducible analyses of known metabolites based on their comparison to available authentic compounds. Such metabolomics platforms were mostly based on mass spectrometry (MS) technologies enabled by a combination of different ionization methods together with a variety of separation steps including LC, GC, and CE. Among these, Fourier-transform ion cyclotron resonance MS (FT-ICR/MS) is distinguished from other MS technologies by its ultrahigh resolution power in mass to charge ratio (m/z). The potential of FT-ICR/MS as a distinctive metabolomics tool has been demonstrated in nontargeted metabolic profiling and functional characterization of novel genes. Here, we discuss both the advantages and difficulties encountered in the FT-ICR/MS metabolomics studies.

  16. Metabolic fate of dietary carnitine in human adults: Identification and quantification of urinary and fecal metabolites

    International Nuclear Information System (INIS)

    Rebouche, C.J.; Chenard, C.A.

    1991-01-01

    Results of kinetic and pharmacokinetic studies have suggested that dietary carnitine is not totally absorbed and is in part degraded in the gastrointestinal tract of humans. To determine the metabolic fate of dietary carnitine in humans, we administered orally a tracer dose of methyl- 3 H L-carnitine with a meal to subjects who had been adapted to a low-carnitine diet or a high-carnitine diet. Urinary and fecal excretion of radiolabeled carnitine and metabolites was monitored for 5 to 11 d following administration of the test dose. Total radioactive metabolites excreted ranged from 13 to 34% (low carnitine diet) and 27 to 46% (high carnitine diet) of the ingested tracer. Major metabolites found were [ 3 H]trimethylamine N-oxide (8 to 39% of the administered dose; excreted primarily in urine) and [ 3 H]gamma-butyrobetaine (0.09 to 8% of the administered dose; excreted primarily in feces). Urinary excretion of total carnitine was 42 to 95% (high carnitine diet) and 190 to 364% (low carnitine diet) of intake. These results indicate that oral carnitine is 54 to 87% bioavailable from normal Western diets; the percentage of intake absorbed is related to the quantity ingested

  17. Identification of metabolites, clinical chemistry markers and transcripts associated with hepatotoxicity.

    Directory of Open Access Journals (Sweden)

    Andreas Buness

    Full Text Available Early and accurate pre-clinical and clinical biomarkers of hepatotoxicity facilitate the drug development process and the safety monitoring in clinical studies. We selected eight known model compounds to be administered to male Wistar rats to identify biomarkers of drug induced liver injury (DILI using transcriptomics, metabolite profiling (metabolomics and conventional endpoints. We specifically explored early biomarkers in serum and liver tissue associated with histopathologically evident acute hepatotoxicity. A tailored data analysis strategy was implemented to better differentiate animals with no treatment-related findings in the liver from animals showing evident hepatotoxicity as assessed by histopathological analysis. From the large number of assessed parameters, our data analysis strategy allowed us to identify five metabolites in serum and five in liver tissue, 58 transcripts in liver tissue and seven clinical chemistry markers in serum that were significantly associated with acute hepatotoxicity. The identified markers comprised metabolites such as taurocholic acid and putrescine (measured as sum parameter together with agmatine, classical clinical chemistry markers like AST (aspartate aminotransferase, ALT (alanine aminotransferase, and bilirubin, as well as gene transcripts like Igfbp1 (insulin-like growth factor-binding protein 1 and Egr1 (early growth response protein 1. The response pattern of the identified biomarkers was concordant across all types of parameters and sample matrices. Our results suggest that a combination of several of these biomarkers could significantly improve the robustness and accuracy of an early diagnosis of hepatotoxicity.

  18. Ultra high performance liquid chromatography-quadrupole-time of flight analysis for the identification and the determination of resveratrol and its metabolites in mouse plasma

    International Nuclear Information System (INIS)

    Menet, M.C.; Cottart, C.H.; Taghi, M.; Nivet-Antoine, V.; Dargère, D.

    2013-01-01

    Graphical abstract: Simultaneous identification and determination of new resveratrol metabolites in mice by UHPLC-Q-TOF in full scan mode. Highlights: ► Fast method to quantify resveratrol and its main metabolites in the mouse plasma. ► Isotope-labeled standards to build a linear calibration curve. ► Linear calibration curve on a wide range of concentrations. ► Simultaneous identification and quantification of metabolites by using full scan mode. ► Detection of uncommon metabolites not yet described in mice. - Abstract: Resveratrol is a polyphenol that has numerous interesting biological properties, but, per os, it is quickly metabolized. Some of its metabolites are more concentrated than resveratrol, may have greater biological activities, and may act as a kind of store for resveratrol. Thus, to understand the biological impact of resveratrol on a physiological system, it is crucial to simultaneously analyze resveratrol and its metabolites in plasma. This study presents an analytical method based on UHPLC-Q-TOF mass spectrometry for the quantification of resveratrol and of its most common hydrophilic metabolites. The use of 13 C- and D-labeled standards specific to each molecule led to a linear calibration curve on a larger concentration range than described previously. The use of high resolution mass spectrometry in the full scan mode enabled simultaneous identification and quantification of some hydrophilic metabolites not previously described in mice. In addition, UHPLC separation, allowing run times lower than 10 min, can be used in studies that requiring analysis of many samples.

  19. Ultra high performance liquid chromatography-quadrupole-time of flight analysis for the identification and the determination of resveratrol and its metabolites in mouse plasma

    Energy Technology Data Exchange (ETDEWEB)

    Menet, M.C., E-mail: marie-claude.menet@parisdescartes.fr [Universite Paris Descartes, Sorbonne Paris cite, EA 4463, Faculte des Sciences Pharmaceutiques et Biologiques, 4 avenue de l' Observatoire, Paris 75270 (France); Cottart, C.H. [APHP, Groupe hospitalier Pitie-Salpetriere, Charles Foix, Service de Biochimie, 7 avenue de la Republique, Ivry sur Seine 94205 (France); Universite Paris Descartes, Sorbonne Paris cite, EA 4466, Faculte des Sciences Pharmaceutiques et Biologiques, 4 avenue de l' Observatoire, Paris 75270 (France); Taghi, M. [Universite Paris Descartes, Sorbonne Paris cite, EA 4463, Faculte des Sciences Pharmaceutiques et Biologiques, 4 avenue de l' Observatoire, Paris 75270 (France); Nivet-Antoine, V. [Universite Paris Descartes, Sorbonne Paris cite, EA 4466, Faculte des Sciences Pharmaceutiques et Biologiques, 4 avenue de l' Observatoire, Paris 75270 (France); APHP, Hopital Europeen Georges Pompidou, Service de Biochimie, 20 rue Leblanc, Paris 75015 (France); Dargere, D. [Universite Paris Descartes, Sorbonne Paris cite, EA 4463, Faculte des Sciences Pharmaceutiques et Biologiques, 4 avenue de l' Observatoire, Paris 75270 (France); and others

    2013-01-25

    Graphical abstract: Simultaneous identification and determination of new resveratrol metabolites in mice by UHPLC-Q-TOF in full scan mode. Highlights: Black-Right-Pointing-Pointer Fast method to quantify resveratrol and its main metabolites in the mouse plasma. Black-Right-Pointing-Pointer Isotope-labeled standards to build a linear calibration curve. Black-Right-Pointing-Pointer Linear calibration curve on a wide range of concentrations. Black-Right-Pointing-Pointer Simultaneous identification and quantification of metabolites by using full scan mode. Black-Right-Pointing-Pointer Detection of uncommon metabolites not yet described in mice. - Abstract: Resveratrol is a polyphenol that has numerous interesting biological properties, but, per os, it is quickly metabolized. Some of its metabolites are more concentrated than resveratrol, may have greater biological activities, and may act as a kind of store for resveratrol. Thus, to understand the biological impact of resveratrol on a physiological system, it is crucial to simultaneously analyze resveratrol and its metabolites in plasma. This study presents an analytical method based on UHPLC-Q-TOF mass spectrometry for the quantification of resveratrol and of its most common hydrophilic metabolites. The use of {sup 13}C- and D-labeled standards specific to each molecule led to a linear calibration curve on a larger concentration range than described previously. The use of high resolution mass spectrometry in the full scan mode enabled simultaneous identification and quantification of some hydrophilic metabolites not previously described in mice. In addition, UHPLC separation, allowing run times lower than 10 min, can be used in studies that requiring analysis of many samples.

  20. CYP450 phenotyping and accurate mass identification of metabolites of the 8-aminoquinoline, anti-malarial drug primaquine

    Directory of Open Access Journals (Sweden)

    Pybus Brandon S

    2012-08-01

    Full Text Available Abstract Background The 8-aminoquinoline (8AQ drug primaquine (PQ is currently the only approved drug effective against the persistent liver stage of the hypnozoite forming strains Plasmodium vivax and Plasmodium ovale as well as Stage V gametocytes of Plasmodium falciparum. To date, several groups have investigated the toxicity observed in the 8AQ class, however, exact mechanisms and/or metabolic species responsible for PQ’s haemotoxic and anti-malarial properties are not fully understood. Methods In the present study, the metabolism of PQ was evaluated using in vitro recombinant metabolic enzymes from the cytochrome P450 (CYP and mono-amine oxidase (MAO families. Based on this information, metabolite identification experiments were performed using nominal and accurate mass measurements. Results Relative activity factor (RAF-weighted intrinsic clearance values show the relative role of each enzyme to be MAO-A, 2C19, 3A4, and 2D6, with 76.1, 17.0, 5.2, and 1.7% contributions to PQ metabolism, respectively. CYP 2D6 was shown to produce at least six different oxidative metabolites along with demethylations, while MAO-A products derived from the PQ aldehyde, a pre-cursor to carboxy PQ. CYPs 2C19 and 3A4 produced only trace levels of hydroxylated species. Conclusions As a result of this work, CYP 2D6 and MAO-A have been implicated as the key enzymes associated with PQ metabolism, and metabolites previously identified as potentially playing a role in efficacy and haemolytic toxicity have been attributed to production via CYP 2D6 mediated pathways.

  1. Krebs cycle metabolite profiling for identification and stratification of pheochromocytomas/paragangliomas due to succinate dehydrogenase deficiency.

    Science.gov (United States)

    Richter, Susan; Peitzsch, Mirko; Rapizzi, Elena; Lenders, Jacques W; Qin, Nan; de Cubas, Aguirre A; Schiavi, Francesca; Rao, Jyotsna U; Beuschlein, Felix; Quinkler, Marcus; Timmers, Henri J; Opocher, Giuseppe; Mannelli, Massimo; Pacak, Karel; Robledo, Mercedes; Eisenhofer, Graeme

    2014-10-01

    Mutations of succinate dehydrogenase A/B/C/D genes (SDHx) increase susceptibility to development of pheochromocytomas and paragangliomas (PPGLs), with particularly high rates of malignancy associated with SDHB mutations. We assessed whether altered succinate dehydrogenase product-precursor relationships, manifested by differences in tumor ratios of succinate to fumarate or other metabolites, might aid in identifying and stratifying patients with SDHx mutations. PPGL tumor specimens from 233 patients, including 45 with SDHx mutations, were provided from eight tertiary referral centers for mass spectrometric analyses of Krebs cycle metabolites. Diagnostic performance of the succinate:fumarate ratio for identification of pathogenic SDHx mutations. SDH-deficient PPGLs were characterized by 25-fold higher succinate and 80% lower fumarate, cis-aconitate, and isocitrate tissue levels than PPGLs without SDHx mutations. Receiver-operating characteristic curves for use of ratios of succinate to fumarate or to cis-aconitate and isocitrate to identify SDHx mutations indicated areas under curves of 0.94 to 0.96; an optimal cut-off of 97.7 for the succinate:fumarate ratio provided a diagnostic sensitivity of 93% at a specificity of 97% to identify SDHX-mutated PPGLs. Succinate:fumarate ratios were higher in both SDHB-mutated and metastatic tumors than in those due to SDHD/C mutations or without metastases. Mass spectrometric-based measurements of ratios of succinate:fumarate and other metabolites in PPGLs offer a useful method to identify patients for testing of SDHx mutations, with additional utility to quantitatively assess functionality of mutations and metabolic factors responsible for malignant risk.

  2. Identification of phenylbutyrate-generated metabolites in Huntington disease patients using parallel liquid chromatography/electrochemical array/mass spectrometry and off-line tandem mass spectrometry.

    Science.gov (United States)

    Ebbel, Erika N; Leymarie, Nancy; Schiavo, Susan; Sharma, Swati; Gevorkian, Sona; Hersch, Steven; Matson, Wayne R; Costello, Catherine E

    2010-04-15

    Oral sodium phenylbutyrate (SPB) is currently under investigation as a histone deacetylation (HDAC) inhibitor in Huntington disease (HD). Ongoing studies indicate that symptoms related to HD genetic abnormalities decrease with SPB therapy. In a recently reported safety and tolerability study of SPB in HD, we analyzed overall chromatographic patterns from a method that employs gradient liquid chromatography with series electrochemical array, ultraviolet (UV), and fluorescence (LCECA/UV/F) for measuring SPB and its metabolite phenylacetate (PA). We found that plasma and urine from SPB-treated patients yielded individual-specific patterns of approximately 20 metabolites that may provide a means for the selection of subjects for extended trials of SPB. The structural identification of these metabolites is of critical importance because their characterization will facilitate understanding the mechanisms of drug action and possible side effects. We have now developed an iterative process with LCECA, parallel LCECA/LCMS, and high-performance tandem MS for metabolite characterization. Here we report the details of this method and its use for identification of 10 plasma and urinary metabolites in treated subjects, including indole species in urine that are not themselves metabolites of SPB. Thus, this approach contributes to understanding metabolic pathways that differ among HD patients being treated with SPB. Copyright 2010 Elsevier Inc. All rights reserved.

  3. Identification of urine metabolites associated with 5-year changes in biomarkers of glucose homoeostasis

    DEFF Research Database (Denmark)

    Friedrich, N.; Skaaby, T.; Pietzner, M.

    2017-01-01

    of insulin resistance (HOMA-IR) index values. Methods: Urine metabolites in 3986 participants at both baseline and 5-year follow-up of the population-based Inter99 study were analyzed by 1H-NMR spectroscopy. Linear regression and analyses of covariance models were used to detect associations between urine...... associated with a decrease in HbA1c over time. Analyses of 5-year changes in fasting glucose and HOMA-IR index showed similar findings, with high baseline levels of lactic acid, beta-d-glucose, creatinine, alanine and 1-methylnicotinamide associated with increases in both parameters. Conclusion: Several...

  4. Identification and characterization of novel long-term metabolites of oxymesterone and mesterolone in human urine by application of selected reaction monitoring GC-CI-MS/MS.

    Science.gov (United States)

    Polet, Michael; Van Gansbeke, Wim; Geldof, Lore; Deventer, Koen; Van Eenoo, Peter

    2017-11-01

    The search for metabolites with longer detection times remains an important task in, for example, toxicology and doping control. The impact of these long-term metabolites is highlighted by the high number of positive cases after reanalysis of samples that were stored for several years, e.g. samples of previous Olympic Games. A substantial number of previously alleged negative samples have now been declared positive due to the detection of various long-term steroid metabolites the existence of which was unknown during the Olympic Games of 2008 and 2012. In this work, the metabolism of oxymesterone and mesterolone, two anabolic androgenic steroids (AAS), was investigated by application of a selected reaction monitoring gas chromatography-chemical ionization-triple quadrupole mass spectrometry (GC-CI-MS/MS) protocol for metabolite detection and identification. Correlations between AAS structure and GC-CI-MS/MS fragmentation behaviour enabled the search for previously unknown but expected AAS metabolites by selection of theoretical transitions for expected metabolites. Use of different hydrolysis protocols allowed for evaluation of the detection window of both phase I and phase II metabolites. For oxymesterone, a new metabolite, 18-nor-17β-hydroxymethyl-17α-methyl-4-hydroxy-androst-4,13-diene-3-one, was identified. It was detectable up to 46 days by using GC-CI-MS/MS, whereas with a traditional screening (detection of metabolite 17-epioxymesterone with electron ionization GC-MS/MS) oxymesterone administration was only detectable for 3.5 days. A new metabolite was also found for mesterolone. It was identified as 1α-methyl-5α-androstan-3,6,16-triol-17-one and its sulfate form after hydrolysis with Helix pomatia resulted in a prolonged detection time (up to 15 days) for mesterolone abuse. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  5. Identification and characterization of vilazodone metabolites in rats and microsomes by ultrahigh-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry.

    Science.gov (United States)

    Chavan, Balasaheb B; Kalariya, Pradipbhai D; Tiwari, Shristy; Nimbalkar, Rakesh D; Garg, Prabha; Srinivas, R; Talluri, M V N Kumar

    2017-12-15

    Vilazodone is a selective serotonin reuptake inhibitor (SSRI) used for the treatment of major depressive disorder (MDD). An extensive literature search found few reports on the in vivo and in vitro metabolism of vilazodone. Therefore, we report a comprehensive in vivo and in vitro metabolic identification and structural characterization of vilazodone using ultrahigh-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry (UPLC/Q-TOF/MS/MS) and in silico toxicity study of the metabolites. To identify in vivo metabolites of vilazodone, blood, urine and faeces samples were collected at different time intervals starting from 0 h to 48 h after oral administration of vilazodone to Sprague-Dawley rats. The in vitro metabolism study was conducted with human liver microsomes (HLM) and rat liver microsomes (RLM). The samples were prepared using an optimized sample preparation approach involving protein precipitation followed by solid-phase extraction. The metabolites have been identified and characterized by using LC/ESI-MS/MS. A total of 12 metabolites (M1-M12) were identified in in vivo and in vitro matrices and characterized by LC/ESI-MS/MS. The majority of the metabolites were observed in urine, while a few metabolites were present in faeces and plasma. Two metabolites were observed in the in vitro study. A semi-quantitative study based on percentage counts shows that metabolites M11, M6 and M8 were observed in higher amounts in urine, faeces and plasma, respectively. The structures of all the 12 metabolites were elucidated by using LC/ESI-MS/MS. The study suggests that vilazodone was metabolized via hydroxylation, dihydroxylation, glucuronidation, oxidative deamination, dealkylation, dehydrogenation and dioxidation. All the metabolites were screened for toxicity using an in silico tool. Copyright © 2017 John Wiley & Sons, Ltd.

  6. Molecular formula and METLIN Personal Metabolite Database matching applied to the identification of compounds generated by LC/TOF-MS.

    Science.gov (United States)

    Sana, Theodore R; Roark, Joseph C; Li, Xiangdong; Waddell, Keith; Fischer, Steven M

    2008-09-01

    In an effort to simplify and streamline compound identification from metabolomics data generated by liquid chromatography time-of-flight mass spectrometry, we have created software for constructing Personalized Metabolite Databases with content from over 15,000 compounds pulled from the public METLIN database (http://metlin.scripps.edu/). Moreover, we have added extra functionalities to the database that (a) permit the addition of user-defined retention times as an orthogonal searchable parameter to complement accurate mass data; and (b) allow interfacing to separate software, a Molecular Formula Generator (MFG), that facilitates reliable interpretation of any database matches from the accurate mass spectral data. To test the utility of this identification strategy, we added retention times to a subset of masses in this database, representing a mixture of 78 synthetic urine standards. The synthetic mixture was analyzed and screened against this METLIN urine database, resulting in 46 accurate mass and retention time matches. Human urine samples were subsequently analyzed under the same analytical conditions and screened against this database. A total of 1387 ions were detected in human urine; 16 of these ions matched both accurate mass and retention time parameters for the 78 urine standards in the database. Another 374 had only an accurate mass match to the database, with 163 of those masses also having the highest MFG score. Furthermore, MFG calculated a formula for a further 849 ions that had no match to the database. Taken together, these results suggest that the METLIN Personal Metabolite database and MFG software offer a robust strategy for confirming the formula of database matches. In the event of no database match, it also suggests possible formulas that may be helpful in interpreting the experimental results.

  7. Identification of a novel human deoxynivalenol metabolite enhancing proliferation of intestinal and urinary bladder cells

    Science.gov (United States)

    Warth, Benedikt; Del Favero, Giorgia; Wiesenberger, Gerlinde; Puntscher, Hannes; Woelflingseder, Lydia; Fruhmann, Philipp; Sarkanj, Bojan; Krska, Rudolf; Schuhmacher, Rainer; Adam, Gerhard; Marko, Doris

    2016-09-01

    The mycotoxin deoxynivalenol (DON) is an abundant contaminant of cereal based food and a severe issue for global food safety. We report the discovery of DON-3-sulfate as a novel human metabolite and potential new biomarker of DON exposure. The conjugate was detectable in 70% of urine samples obtained from pregnant women in Croatia. For the measurement of urinary metabolites, a highly sensitive and selective LC-MS/MS method was developed and validated. The method was also used to investigate samples from a duplicate diet survey for studying the toxicokinetics of DON-3-sulfate. To get a preliminary insight into the biological relevance of the newly discovered DON-sulfates, in vitroexperiments were performed. In contrast to DON, sulfate conjugates lacked potency to suppress protein translation. However, surprisingly we found that DON-sulfates enhanced proliferation of human HT-29 colon carcinoma cells, primary human colon epithelial cells (HCEC-1CT) and, to some extent, also T24 bladder cancer cells. A proliferative stimulus, especially in tumorigenic cells raises concern on the potential impact of DON-sulfates on consumer health. Thus, a further characterization of their toxicological relevance should be of high priority.

  8. Identification of metabolites in the normal ovary and their transformation in primary and metastatic ovarian cancer.

    Science.gov (United States)

    Fong, Miranda Y; McDunn, Jonathan; Kakar, Sham S

    2011-01-01

    In this study, we characterized the metabolome of the human ovary and identified metabolic alternations that coincide with primary epithelial ovarian cancer (EOC) and metastatic tumors resulting from primary ovarian cancer (MOC) using three analytical platforms: gas chromatography mass spectrometry (GC/MS) and liquid chromatography tandem mass spectrometry (LC/MS/MS) using buffer systems and instrument settings to catalog positive or negative ions. The human ovarian metabolome was found to contain 364 biochemicals and upon transformation of the ovary caused changes in energy utilization, altering metabolites associated with glycolysis and β-oxidation of fatty acids--such as carnitine (1.79 fold in EOC, pcancer also displayed an enhanced oxidative stress response as indicated by increases in 2-aminobutyrate in EOC (1.46 fold, p = 0.0316) and in MOC (2.25 fold, povary, specifically N-acetylasparate and N-acetyl-aspartyl-glutamate, whose role in ovarian physiology has yet to be determined. These data enhance our understanding of the diverse biochemistry of the human ovary and demonstrate metabolic alterations upon transformation. Furthermore, metabolites with significant changes between groups provide insight into biochemical consequences of transformation and are candidate biomarkers of ovarian oncogenesis. Validation studies are warranted to determine whether these compounds have clinical utility in the diagnosis or clinical management of ovarian cancer patients.

  9. Identification of Discriminating Metabolic Pathways and Metabolites in Human PBMCs Stimulated by Various Pathogenic Agents

    Directory of Open Access Journals (Sweden)

    Xiang Zhang

    2018-02-01

    Full Text Available Immunity and cellular metabolism are tightly interconnected but it is not clear whether different pathogens elicit specific metabolic responses. To address this issue, we studied differential metabolic regulation in peripheral blood mononuclear cells (PBMCs of healthy volunteers challenged by Candida albicans, Borrelia burgdorferi, lipopolysaccharide, and Mycobacterium tuberculosis in vitro. By integrating gene expression data of stimulated PBMCs of healthy individuals with the KEGG pathways, we identified both common and pathogen-specific regulated pathways depending on the time of incubation. At 4 h of incubation, pathogenic agents inhibited expression of genes involved in both the glycolysis and oxidative phosphorylation pathways. In contrast, at 24 h of incubation, particularly glycolysis was enhanced while genes involved in oxidative phosphorylation remained unaltered in the PBMCs. In general, differential gene expression was less pronounced at 4 h compared to 24 h of incubation. KEGG pathway analysis allowed differentiation between effects induced by Candida and bacterial stimuli. Application of genome-scale metabolic model further generated a Candida-specific set of 103 reporter metabolites (e.g., desmosterol that might serve as biomarkers discriminating Candida-stimulated PBMCs from bacteria-stimuated PBMCs. Our analysis also identified a set of 49 metabolites that allowed discrimination between the effects of Borrelia burgdorferi, lipopolysaccharide and Mycobacterium tuberculosis. We conclude that analysis of pathogen-induced effects on PBMCs by a combination of KEGG pathways and genome-scale metabolic model provides deep insight in the metabolic changes coupled to host defense.

  10. An Integrated Pipeline of Open Source Software Adapted for Multi-CPU Architectures: Use in the Large-Scale Identification of Single Nucleotide Polymorphisms

    Directory of Open Access Journals (Sweden)

    B. Jayashree

    2007-01-01

    Full Text Available The large amounts of EST sequence data available from a single species of an organism as well as for several species within a genus provide an easy source of identification of intra- and interspecies single nucleotide polymorphisms (SNPs. In the case of model organisms, the data available are numerous, given the degree of redundancy in the deposited EST data. There are several available bioinformatics tools that can be used to mine this data; however, using them requires a certain level of expertise: the tools have to be used sequentially with accompanying format conversion and steps like clustering and assembly of sequences become time-intensive jobs even for moderately sized datasets. We report here a pipeline of open source software extended to run on multiple CPU architectures that can be used to mine large EST datasets for SNPs and identify restriction sites for assaying the SNPs so that cost-effective CAPS assays can be developed for SNP genotyping in genetics and breeding applications. At the International Crops Research Institute for the Semi-Arid Tropics (ICRISAT, the pipeline has been implemented to run on a Paracel high-performance system consisting of four dual AMD Opteron processors running Linux with MPICH. The pipeline can be accessed through user-friendly web interfaces at http://hpc.icrisat.cgiar.org/PBSWeb and is available on request for academic use. We have validated the developed pipeline by mining chickpea ESTs for interspecies SNPs, development of CAPS assays for SNP genotyping, and confirmation of restriction digestion pattern at the sequence level.

  11. Comparison of trapping profiles between d-peptides and glutathione in the identification of reactive metabolites

    Directory of Open Access Journals (Sweden)

    Jaana E. Laine

    2015-01-01

    Full Text Available Qualitative trapping profile of reactive metabolites arising from six structurally different compounds was tested with three different d-peptide isomers (Peptide 1, gly–tyr–pro–cys–pro–his-pro; Peptide 2, gly–tyr–pro–ala–pro–his–pro; Peptide 3, gly–tyr–arg–pro–cys–pro–his–lys–pro and glutathione (GSH using mouse and human liver microsomes as the biocatalyst. The test compounds were classified either as clinically “safe” (amlodipine, caffeine, ibuprofen, or clinically as “risky” (clozapine, nimesulide, ticlopidine; i.e., associated with severe clinical toxicity outcomes. Our working hypothesis was as follows: could the use of short different amino acid sequence containing d-peptides in adduct detection confer any add-on value to that obtained with GSH? All “risky” agents’ resulted in the formation of several GSH adducts in the incubation mixture and with at least one peptide adduct with both microsomal preparations. Amlodipine did not form any adducts with any of the trapping agents. No GSH and peptide 2 and 3 adducts were found with caffeine, but with peptide 1 one adduct with human liver microsomes was detected. Ibuprofen produced one Peptide 1-adduct with human and mouse liver microsomes but not with GSH. In conclusion, GSH still remains the gold trapping standard for reactive metabolites. However, targeted d-peptides could provide additional information about protein binding potential of electrophilic agents, but their clinical significance needs to be clarified using a wider spectrum of chemicals together with other safety estimates.

  12. Climate change impact on the PAH photodegradation in soils: Characterization and metabolites identification.

    Science.gov (United States)

    Marquès, Montse; Mari, Montse; Audí-Miró, Carme; Sierra, Jordi; Soler, Albert; Nadal, Martí; Domingo, José L

    2016-01-01

    Polycyclic aromatic hydrocarbons (PAHs) are airborne pollutants that are deposited on soils. As climate change is already altering temperature and solar radiation, the global warming is suggested to impact the environmental fate of PAHs. This study was aimed at evaluating the effect of climate change on the PAH photodegradation in soils. Samples of Mediterranean soils were subjected to different temperature and light radiation conditions in a climate chamber. Two climate scenarios were considered according to IPCC projections: 1) a base (B) scenario, being temperature and light intensity 20°C and 9.6W/m(2), respectively, and 2) a climate change (CC) scenario, working at 24°C and 24W/m(2), respectively. As expected, low molecular weight PAHs were rapidly volatilized when increasing both temperature and light intensity. In contrast, medium and high molecular weight PAHs presented different photodegradation rates in soils with different texture, which was likely related to the amount of photocatalysts contained in both soils. In turn, the hydrogen isotopic composition of some of the PAHs under study was also investigated to verify any degradation process. Hydrogen isotopes confirmed that benzo(a)pyrene is degraded in both B and CC scenarios, not only under light but also in the darkness, revealing unknown degradation processes occurring when light is lacking. Potential generation pathways of PAH photodegradation by-products were also suggested, being a higher number of metabolites formed in the CC scenario. Consequently, in a more or less near future, although humans might be less exposed to PAHs, they could be exposed to new metabolites of these pollutants, which might be even more toxic. Copyright © 2016. Published by Elsevier Ltd.

  13. Characteristics of operating pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Gallyamov, A K; Armenskii, E A; Gimaev, R G; Mastobaev, B N; Shammazov, A M

    1977-04-01

    The interval in pressure changes according to operational data for the Kamennyi Log--Perm oil pipeline was determined with the aid of the pattern identification method. This has made it possible to determine pressure changes in the operational process. 2 references, 1 table.

  14. Assessing the Effectiveness of Functional Genetic Screens for the Identification of Bioactive Metabolites

    Directory of Open Access Journals (Sweden)

    Staffan Kjelleberg

    2012-12-01

    Full Text Available A common limitation for the identification of novel activities from functional (meta genomic screens is the low number of active clones detected relative to the number of clones screened. Here we demonstrate that constructing libraries with strains known to produce bioactives can greatly enhance the screening efficiency, by increasing the “hit-rate” and unmasking multiple activities from the same bacterial source.

  15. Maternal Metabolomic Profile and Fetal Programming of Offspring Adiposity: Identification of Potentially Protective Lipid Metabolites.

    Science.gov (United States)

    Hellmuth, Christian; Lindsay, Karen L; Uhl, Olaf; Buss, Claudia; Wadhwa, Pathik D; Koletzko, Berthold; Entringer, Sonja

    2018-04-30

    The fetal programming paradigm posits that the origins of obesity can be traced, in part, to the intrauterine period of life. However, the mechanisms underlying fetal programming are not well understood, and few studies have measured offspring adiposity in the neonatal period. The aim of this study is to identify maternal metabolites, and their determinants, that are associated with neonatal adiposity. A targeted metabolomics approach is applied to analyze plasma samples collected across gestation from a well-characterized cohort of 253 pregnant women participating in a prospective study at the University of California, Irvine. Whole-body dual X-ray absorptiometry (DXA) imaging of body composition is obtained in N = 121 newborns. Statistical models are adjusted for potential confounders and multiple testing. The authors identify six alkyl-linked phosphatidylcholines (PCae), containing fatty acid 20:4, that are significantly and negatively associated with neonatal body fat percentage. Factors indicating higher socioeconomic status, non-Hispanic ethnicity, and higher nonesterified fatty acid percentages are positively associated with these PCae. The polyunsaturated fatty acid 20:4 contained in PCae may exert a beneficial effect with respect to future propensity for obesity development. Prepregnancy and early pregnancy factors are determinants of these PCae, highlighting the importance of addressing preconceptional conditions for fetal programming of newborn adiposity. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Polyamine metabolism in ripening tomato fruit. I. Identification of metabolites of putrescine and spermidine

    International Nuclear Information System (INIS)

    Rastogi, R.; Davies, P.J.

    1990-01-01

    The metabolism of [1,4- 14 C]putrescine and [terminal methylene- 3 H]spermidine was studied in the fruit pericarp (breaker stage) discs of tomato (Lycopersicon esculentum Mill.) cv Rutgers, and the metabolites identified by high performance liquid chromatography and gas chromatography-mass spectrometry. The metabolism of both putrescine and spermidine was relatively slow; in 24 hours about 15% of each amine was metabolized. The 14 C label from putrescine was incorporated into spermidine, γ-aminobutyric acid (GABA), glutamic acid, and a polar fraction eluting with sugars and organic acids. In the presence of gabaculine, a specific inhibitor of GABA:pyruvate transminase, the label going into glutamic acid, sugars and organic acids decreased by 80% while that in GABA increased about twofold, indicating that the transamination reaction is probably a major fate of GABA produced from putrescine in vivo. [ 3 H]Spermidine was catabolized into putrescine and β-alanine. The conversion of putrescine into GABA, and that of spermidine into putrescine, suggests the presence of polyamine oxidizing enzymes in tomato pericarp tissues. The possible pathways of putrescine and spermidine metabolism are discussed

  17. Pharmacokinetics, tissue distribution and identification of putative metabolites of JI-101 - a novel triple kinase inhibitor in rats.

    Science.gov (United States)

    Gurav, S D; Gilibili, R R; Jeniffer, S; Mohd, Z; Giri, S; Govindarajan, R; Srinivas, N R; Mullangi, R

    2012-01-01

    JI-101, chemically 1-[1-(2-amino-pyridin-4-ylmethyl)-1H-indol-4-yl]-3-(5-bromo-2-methoxy-phenyl)-urea hydrochloride, is a novel orally active kinase inhibitor, which has shown potent in vitro and in vivo anticancer activity against a variety of cancer cell lines and xenografts. It is currently entering Phase II clinical development for the treatment of solid tumors. The aim of the study is to assess the metabolic stability of JI-101 in various pre-clinical and human liver microsomes, to identify the major CYPs (cytochrome β450) involved in the metabolism of JI-101 and identification of putative metabolites. We have also studied the pharmacokinetics, tissue distribution and excretion of JI-101 in Sprague Dawley rats. JI-101 was found to be stable in various liver microsomes tested. JI-101 is highly permeable and not a substrate for P-gp (permeability glycoprotein). JI-101 excreted through bile along with its mono- and di-hydroxy metabolites. Following oral administration, JI-101 was rapidly absorbed, reaching Cmax within 2 h. The t½ of JI-101 with intravenous and oral route was found to be 1.75 ± 0.79 and 2.66 ± 0.13 h, respectively. The Cl and Vd by intravenous route for JI-101 were found to be 13.0 ± 2.62 mL/min/kg and 2.11 ± 1.42 L/kg, respectively. The tissue distribution of JI-101 was extensive with rapid and preferred uptake into lung tissue. Overall, the oral bioavailability of JI-101 is 55% and the primary route of elimination for JI-101 is feces. © Georg Thieme Verlag KG Stuttgart · New York.

  18. Proposal of 5-methoxy-N-methyl-N-isopropyltryptamine consumption biomarkers through identification of in vivo metabolites from mice.

    Science.gov (United States)

    Fabregat-Safont, D; Barneo-Muñoz, M; Martinez-Garcia, F; Sancho, J V; Hernández, F; Ibáñez, M

    2017-07-28

    New psychoactive substances (NPS) are a new breed of synthetically produced substances designed to mimic the effects of traditional illegal drugs. Synthetic cannabinoids and synthetic cathinones are the two most common groups, which try to mimic the effects of the natural compounds 9 Δ-tetrahydrocannabinol and cathinone, respectively. Similarly, synthetic tryptamines are designer compounds which are based on the compounds psilocin, N,N-dimethyltryptamine and 5-methoxy-N,N-dimethyltryptamine found in some mushrooms. One of the most important tryptamine compounds found in seizures is 5-methoxy-N,N-diisopropyltryptamine, which has been placed as controlled substance in USA and some European countries. The control of this compound has promoted the rising of another tryptamine, the 5-methoxy-N-methyl-N-isopropyltryptamine, which at the time of writing this article has not been banned yet. So, it is undeniable that this new substance should be monitored. 5-methoxy-N-methyl-N-isopropyltryptamine has been reported by the Spanish Early Warning System and detected in our laboratory in two pill samples purchased in a local smart shop. This has promoted the need of stablishing consumption markers for this compound in consumers' urine. In the present work, the metabolism and pharmacokinetic of 5-methoxy-N-methyl-N-isopropyltryptamine has been studied by an in vivo approach, using adult male mice of the inbred strain C57BLJ/6. The use of ultra-high performance liquid chromatography coupled to high resolution mass spectrometry allowed the identification of four metabolites. After the pharmacokinetic study in serum and urine, the O-demethylated metabolite and the non-metabolised parent compound are proposed as consumption markers in hydrolysed urine. Data reported in this work will help hospitals and forensic laboratories to monitor the consumption and potential intoxication cases related to this tryptamine. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Liquid Chromatography/Quadrupole Time-of-Flight Mass Spectrometry for Identification of In Vitro and In Vivo Metabolites of Bornyl Gallate in Rats

    Directory of Open Access Journals (Sweden)

    Wei Lan

    2013-01-01

    Full Text Available Bornyl gallate (BG is a potential drug candidate synthesized by the reaction of two natural products, gallic acid and borneol. Previous studies have strongly suggested that BG is worthy of further investigation due to antioxidant, antiatherosclerosis activities, and obvious activity of stimulating intersegmental vessel growth in zebrafish. This work was designed to elucidate the metabolic profile of BG through analyzing its metabolites in vitro and in vivo by a chromatographic separation coupled with a mass spectrometry. The metabolites of BG were characterized from the rat liver microsome incubation solution, as well as rat urine and plasma after oral administration. Chromatographic separation was performed on an Agilent TC-C18 column (250 mm × 4.6 mm, 5 μm with gradient elution using methanol and water containing 0.2% (V : V formic acid as the mobile phase. Metabolites identification involved analyzing the retention behaviors, changes of molecular weights and MS/MS fragment patterns of BG and the metabolites. Five compounds were identified as isomers of hydroxylated BG metabolites in vitro. The major metabolites of BG in rat urine and plasma proved to be BG-O-glucuronide and O-methyl BG-O-glucuronide. The proposed method confirmed to be a reliable and sensitive alternative for characterizing metabolic pathways of BG.

  20. Leadership Pipeline

    DEFF Research Database (Denmark)

    Elmholdt, Claus Westergård

    2012-01-01

    Artiklen analyserer grundlaget for Leadership Pipeline modellen med henblik på en vurdering af substansen bag modellen, og perspektiverne for generalisering af modellen til en dansk organisatorisk kontekst.......Artiklen analyserer grundlaget for Leadership Pipeline modellen med henblik på en vurdering af substansen bag modellen, og perspektiverne for generalisering af modellen til en dansk organisatorisk kontekst....

  1. Identification of Minor Secondary Metabolites from the Latex of Croton lechleri (Muell-Arg and Evaluation of Their Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Maria Iorizzi

    2008-06-01

    Full Text Available Dragon’s blood (Sangre de drago, a viscous red sap derived from Croton lechleri Muell-Arg (Euphorbiaceae, is extensively used by indigenous cultures of the Amazonian basin for its wound healing properties. The aim of this study was to identify the minor secondary metabolites and test the antioxidant activity of this sustance. A bioguided fractionation of the n-hexane, chloroform, n-butanol, and aqueous extracts led to the isolation of 15 compounds: three megastigmanes, four flavan-3-ols, three phenylpropanoids, three lignans, a clerodane, and the alkaloid taspine. In addition to these known molecules, six compounds were isolated and identified for the first time in the latex: blumenol B, blumenol C, 4,5-dihydroblumenol A, erythro-guaiacyl-glyceryl-β-O-4’- dihydroconiferyl ether, 2-[4-(3-hydroxypropyl-2-methoxyphenoxy]-propane-1,3-diol and floribundic acid glucoside. Combinations of spectroscopic methods (1H-, 13C- NMR and 2D-NMR experiments, ESI-MS, and literature comparisons were used for compound identification. In vitro antioxidant activities were assessed by DPPH, total antioxidant capacity and lipid peroxidation assays. Flavan-3-ols derivatives (as major phenolic compounds in the latex exhibited the highest antioxidant activity.

  2. Polydopamine-Coated Magnetic Molecularly Imprinted Polymers with Fragment Template for Identification of Pulsatilla Saponin Metabolites in Rat Feces with UPLC-Q-TOF-MS.

    Science.gov (United States)

    Zhang, Yu-Zhen; Zhang, Jia-Wei; Wang, Chong-Zhi; Zhou, Lian-Di; Zhang, Qi-Hui; Yuan, Chun-Su

    2018-01-24

    In this work, a modified pretreatment method using magnetic molecularly imprinted polymers (MMIPs) was successfully applied to study the metabolites of an important botanical with ultraperformance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). The MMIPs for glucoside-specific adsorption was used to identify metabolites of Pulsatilla chinensis in rat feces. Polymers were prepared by using Fe 3 O 4 nanoparticles as the supporting matrix, d-glucose as fragment template, and dopamine as the functional monomer and cross-linker. Results showed that MMIPs exhibited excellent extraction performance, large adsorption capacity (5.65 mg/g), fast kinetics (60 min), and magnetic separation. Furthermore, the MMIPs coupled with UPLC-Q-TOF-MS were successfully utilized for the identification of 17 compounds including 15 metabolites from the Pulsatilla saponin metabolic pool. This study provides a reliable protocol for the separation and identification of saponin metabolites in a complex biological sample, including those from herbal medicines.

  3. Continuous degradation of a mixture of sulfonamides by Trametes versicolor and identification of metabolites from sulfapyridine and sulfathiazole

    International Nuclear Information System (INIS)

    Rodríguez-Rodríguez, Carlos E.; Jesús García-Galán, Ma.; Blánquez, Paqui; Díaz-Cruz, M. Silvia; Barceló, Damià; Caminal, Glòria; Vicent, Teresa

    2012-01-01

    Highlights: ► Degradation of sulfapyridine and sulfathiazole by Trametes versicolor was evaluated. ► The role of laccase and cytochrome P450 was determined. ► Degradation metabolites were identified for sulfapyridine (8) and sulfathiazole (5). ► A mixture of three sulfonamides was degraded in a continuous fluidized bed reactor. - Abstract: In this study, we assessed the degradation of the sulfonamides sulfapyridine (SPY) and sulfathiazole (STZ) by the white-rot fungus Trametes versicolor. Complete degradation was accomplished in fungal cultures at initial pollutant concentrations of approximately 10 mg L −1 , although a longer period of time was needed to completely remove STZ in comparison to SPY. When cytochrome P450 inhibitors were added to the fungal cultures, STZ degradation was partially suppressed, while no additional effect was observed for SPY. Experiments with purified laccase and laccase mediators caused the removal of greater than 75% of each antibiotic. Ultra-performance liquid chromatography-quadupole time of flight mass spectrometry (UPLC-QqTOF-MS) analyses allowed the identification of a total of eight degradation intermediates of SPY in both the in vivo and the laccase experiments, being its desulfonated moiety the commonly detected product. For STZ, a total of five products were identified. A fluidized bed reactor with T. versicolor pellets degraded a mixture of sulfonamides (SPY, STZ and sulfamethazine, SMZ) by greater than 94% each at a hydraulic residence time of 72 h. Because wastewater contains many diverse pollutants, these results highlight the potential of T. versicolor as a bioremediation agent not only for the removal of antibiotics but also for the elimination of a wide range of contaminants.

  4. Continuous degradation of a mixture of sulfonamides by Trametes versicolor and identification of metabolites from sulfapyridine and sulfathiazole

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Rodriguez, Carlos E., E-mail: CarlosEsteban.Rodriguez@uab.cat [Unitat asociada de Biocatalisi Aplicada IQAC-CSIC, Escola d' Enginyeria, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Centro de Investigacion en Contaminacion Ambiental, Universidad de Costa Rica, 2060 San Jose (Costa Rica); Jesus Garcia-Galan, Ma. [Departament de Quimica Ambiental, IDAEA-CSIC, C/Jordi Girona 18-26, 08034, Barcelona (Spain); Blanquez, Paqui [Departament d' Enginyeria Quimica, Escola d' Enginyeria, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Diaz-Cruz, M. Silvia [Departament de Quimica Ambiental, IDAEA-CSIC, C/Jordi Girona 18-26, 08034, Barcelona (Spain); Barcelo, Damia [Departament de Quimica Ambiental, IDAEA-CSIC, C/Jordi Girona 18-26, 08034, Barcelona (Spain); Catalan Institute for Water Research (ICRA), Parc Cientific i Tecnologic de la Universitat de Girona, C/Emili Grahit, 101 Edifici H2O, E-17003 Girona (Spain); Caminal, Gloria [Unitat asociada de Biocatalisi Aplicada IQAC-CSIC, Escola d' Enginyeria, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain); Vicent, Teresa [Departament d' Enginyeria Quimica, Escola d' Enginyeria, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona (Spain)

    2012-04-30

    Highlights: Black-Right-Pointing-Pointer Degradation of sulfapyridine and sulfathiazole by Trametes versicolor was evaluated. Black-Right-Pointing-Pointer The role of laccase and cytochrome P450 was determined. Black-Right-Pointing-Pointer Degradation metabolites were identified for sulfapyridine (8) and sulfathiazole (5). Black-Right-Pointing-Pointer A mixture of three sulfonamides was degraded in a continuous fluidized bed reactor. - Abstract: In this study, we assessed the degradation of the sulfonamides sulfapyridine (SPY) and sulfathiazole (STZ) by the white-rot fungus Trametes versicolor. Complete degradation was accomplished in fungal cultures at initial pollutant concentrations of approximately 10 mg L{sup -1}, although a longer period of time was needed to completely remove STZ in comparison to SPY. When cytochrome P450 inhibitors were added to the fungal cultures, STZ degradation was partially suppressed, while no additional effect was observed for SPY. Experiments with purified laccase and laccase mediators caused the removal of greater than 75% of each antibiotic. Ultra-performance liquid chromatography-quadupole time of flight mass spectrometry (UPLC-QqTOF-MS) analyses allowed the identification of a total of eight degradation intermediates of SPY in both the in vivo and the laccase experiments, being its desulfonated moiety the commonly detected product. For STZ, a total of five products were identified. A fluidized bed reactor with T. versicolor pellets degraded a mixture of sulfonamides (SPY, STZ and sulfamethazine, SMZ) by greater than 94% each at a hydraulic residence time of 72 h. Because wastewater contains many diverse pollutants, these results highlight the potential of T. versicolor as a bioremediation agent not only for the removal of antibiotics but also for the elimination of a wide range of contaminants.

  5. Identification of three new phase II metabolites of a designer drug methylone formed in rats by N-demethylation followed by conjugation with dicarboxylic acids.

    Science.gov (United States)

    Židková, Monika; Linhart, Igor; Balíková, Marie; Himl, Michal; Dvořáčková, Veronika; Lhotková, Eva; Páleníček, Tomáš

    2018-06-01

    1. Methylone (3,4-methylenedioxy-N-methylcathinone, MDMC), which appeared on the illicit drug market in 2004, is a frequently abused synthetic cathinone derivative. Known metabolic pathways of MDMC include N-demethylation to normethylone (3,4-methylenedioxycathinone, MDC), aliphatic chain hydroxylation and oxidative demethylenation followed by monomethylation and conjugation with glucuronic acid and/or sulphate. 2. Three new phase II metabolites, amidic conjugates of MDC with succinic, glutaric and adipic acid, were identified in the urine of rats dosed subcutaneously with MDMC.HCl (20 mg/kg body weight) by LC-ESI-HRMS using synthetic reference standards to support identification. 3. The main portion of administered MDMC was excreted unchanged. Normethylone, was a major urinary metabolite, of which a minor part was conjugated with dicarboxylic acids. 4. Previously identified ring-opened metabolites 4-hydroxy-3-methoxymethcathinone (4-OH-3-MeO-MC), 3-hydroxy-4-methoxymeth-cathinone (3-OH-4-MeO-MC) and 3,4-dihydroxymethcathinone (3,4-di-OH-MC) mostly in conjugated form with glucuronic and/or sulphuric acids were also detected. 5. Also, ring-opened metabolites derived from MDC, namely, 4-hydroxy-3-methoxycathinone (4-OH-3-MeO-C), 3-hydroxy-4-methoxycathinone (3-OH-4-MeO-C) and 3,4-dihydroxycathinone (3,4-di-OH-C) were identified for the first time in vivo.

  6. Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem [Environmental; Li, Da-Wei; Zhang, Bo; Brüschweiler, Rafael

    2016-12-06

    Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web server, COLMARm, that permits the co-analysis of up to three 2D NMR spectra, namely 13C-1H HSQC, 1H-1H TOCSY, and 13C-1H HSQC-TOCSY for the comprehensive, accurate, and efficient performance of this task. The highly versatile and interactive nature of COLMARm permits its application to a wide range of metabolomics samples independent of the magnetic field. Database query is performed using the HSQC spectrum and the top metabolite hits are then validated against the TOCSY-type experiment(s) by superimposing the expected cross-peaks on the mixture spectrum. In this way the user can directly accept or reject candidate metabolites by taking advantage of the complementary spectral information offered by these experiments and their different sensitivities. The power of COLMARm is demonstrated for a human serum sample uncovering the existence of 14 metabolites that hitherto were not identified by NMR.

  7. Identification, quantification, spatiotemporal distribution and genetic variation of major latex secondary metabolites in the common dandelion (Taraxacum officinale agg.).

    Science.gov (United States)

    Huber, Meret; Triebwasser-Freese, Daniella; Reichelt, Michael; Heiling, Sven; Paetz, Christian; Chandran, Jima N; Bartram, Stefan; Schneider, Bernd; Gershenzon, Jonathan; Erb, Matthias

    2015-07-01

    The secondary metabolites in the roots, leaves and flowers of the common dandelion (Taraxacum officinale agg.) have been studied in detail. However, little is known about the specific constituents of the plant's highly specialized laticifer cells. Using a combination of liquid and gas chromatography, mass spectrometry and nuclear magnetic resonance spectrometry, we identified and quantified the major secondary metabolites in the latex of different organs across different growth stages in three genotypes, and tested the activity of the metabolites against the generalist root herbivore Diabrotica balteata. We found that common dandelion latex is dominated by three classes of secondary metabolites: phenolic inositol esters (PIEs), triterpene acetates (TritAc) and the sesquiterpene lactone taraxinic acid β-D-glucopyranosyl ester (TA-G). Purification and absolute quantification revealed concentrations in the upper mgg(-1) range for all compound classes with up to 6% PIEs, 5% TritAc and 7% TA-G per gram latex fresh weight. Contrary to typical secondary metabolite patterns, concentrations of all three classes increased with plant age. The highest concentrations were measured in the main root. PIE profiles differed both quantitatively and qualitatively between plant genotypes, whereas TritAc and TA-G differed only quantitatively. Metabolite concentrations were positively correlated within and between the different compound classes, indicating tight biosynthetic co-regulation. Latex metabolite extracts strongly repelled D. balteata larvae, suggesting that the latex constituents are biologically active. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Unambiguous metabolite identification in high-throughput metabolomics by hybrid 1D 1 H NMR/ESI MS 1 approach: Hybrid 1D 1 H NMR/ESI MS 1 metabolomics method

    Energy Technology Data Exchange (ETDEWEB)

    Walker, Lawrence R. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Hoyt, David W. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Walker, S. Michael [Department of Ecology and Evolutionary Biology, University of Kansas, Lawrence KS 66045 USA; Ward, Joy K. [Department of Ecology and Evolutionary Biology, University of Kansas, Lawrence KS 66045 USA; Nicora, Carrie D. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA; Bingol, Kerem [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland WA 99354 USA

    2016-09-16

    We present a novel approach to improve accuracy of metabolite identification by combining direct infusion ESI MS1 with 1D 1H NMR spectroscopy. The new approach first applies standard 1D 1H NMR metabolite identification protocol by matching the chemical shift, J-coupling and intensity information of experimental NMR signals against the NMR signals of standard metabolites in metabolomics library. This generates a list of candidate metabolites. The list contains false positive and ambiguous identifications. Next, we constrained the list with the chemical formulas derived from high-resolution direct infusion ESI MS1 spectrum of the same sample. Detection of the signals of a metabolite both in NMR and MS significantly improves the confidence of identification and eliminates false positive identification. 1D 1H NMR and direct infusion ESI MS1 spectra of a sample can be acquired in parallel in several minutes. This is highly beneficial for rapid and accurate screening of hundreds of samples in high-throughput metabolomics studies. In order to make this approach practical, we developed a software tool, which is integrated to Chenomx NMR Suite. The approach is demonstrated on a model mixture, tomato and Arabidopsis thaliana metabolite extracts, and human urine.

  9. Preclinical pharmacokinetic evaluation and metabolites identification of methyl salicylate-2-O-β-d-lactoside in rats using LC-MS/MS and Q-TOF-MS methods.

    Science.gov (United States)

    Zhang, Dan; Huang, Chao; Xin, Wenyu; Ma, Xiaowei; Zhang, Weiku; Zhang, Tiantai; Du, Guanhua

    2015-05-10

    Methyl salicylate-2-O-β-d-lactoside (MSL) is a natural salicylate derivative from the traditional Chinese medicine of Gaultheria yunnanensis (Franch.) Rehder (G. yunnanensis). As a non-steroidal anti-inflammatory drug (NSAID), MSL exerts a significant anti-arthritis effect but hardly has any gastrointestinal toxicity. In this paper, the pharmacokinetics, distribution, excretion and identification of MSL and its metabolites are described following rat oral and intravenous administration. The biological samples were quantified by UPLC-MS/MS and the metabolites in urine and feces were identified by using Q-TOF-MS. These results will support future investigations leading to clinical development of this drug. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Leadership Pipeline

    DEFF Research Database (Denmark)

    Elmholdt, Claus Westergård

    2013-01-01

    I artiklen undersøges det empiriske grundlag for Leader- ship Pipeline. Først beskrives Leadership Pipeline modellen om le- delsesbaner og skilleveje i opadgående transitioner mellem orga- nisatoriske ledelsesniveauer (Freedman, 1998; Charan, Drotter and Noel, 2001). Dernæst sættes fokus på det...... forholdet mellem kontinuitet- og diskontinuitet i ledel- seskompetencer på tværs af organisatoriske niveauer præsenteres og diskuteres. Afslutningsvis diskuteres begrænsningerne i en kompetencebaseret tilgang til Leadership Pipeline, og det foreslås, at succesfuld ledelse i ligeså høj grad afhænger af...

  11. Identification of a new reactive metabolite of pyrrolizidine alkaloid retrorsine: (3H-pyrrolizin-7-yl)methanol.

    Science.gov (United States)

    Fashe, Muluneh M; Juvonen, Risto O; Petsalo, Aleksanteri; Rahnasto-Rilla, Minna; Auriola, Seppo; Soininen, Pasi; Vepsäläinen, Jouko; Pasanen, Markku

    2014-11-17

    Pyrrolizidine alkaloids (PAs) such as retrorsine are common food contaminants that are known to be bioactivated by cytochrome P450 enzymes to putative hepatotoxic, genotoxic, and carcinogenic metabolites known as dehydropyrrolizidine alkaloids (DHPs). We compared how both electrochemical (EC) and human liver microsomal (HLM) oxidation of retrorsine could produce short-lived intermediate metabolites; we also characterized a toxicologically important metabolite, (3H-pyrrolizin-7-yl)methanol. The EC cell was coupled online or offline to a liquid chromatograph/mass spectrometer (LC/MS), whereas the HLM oxidation was performed in 100 mM potassium phosphate (pH 7.4) in the presence of NADPH at 37 °C. The EC cell oxidation of retrorsine produced 12 metabolites, including dehydroretrorsine (m/z 350, [M + H(+)]), which was degraded to a new reactive metabolite at m/z 136 ([M + H(+)]). The molecular structure of this small metabolite was determined using high-resolution mass spectrometry and NMR spectroscopy followed by chemical synthesis. In addition, we also identified another minor but reactive metabolite at m/z 136, an isomer of (3H-pyrrolizin-7-yl)methanol. Both (3H-pyrrolizin-7-yl)methanol and its minor isomer were also observed after HLM oxidation of retrorsine and other hepatotoxic PAs such as lasiocarpine and senkirkin. In the presence of reduced glutathione (GSH), each isomer formed identical GSH conjugates at m/z 441 and m/z 730 in the negative ESI-MS. Because (3H-pyrrolizine-7-yl)methanol) and its minor isomer subsequently reacted with GSH, it is concluded that (3H-pyrrolizin-7-yl)methanol may be a common toxic metabolite arising from PAs.

  12. Identification of the principal biliary metabolite of 4'-(9-acridinylamino)methanesulfon-m-anisidide in rats

    International Nuclear Information System (INIS)

    Shoemaker, D.D.; Cysyk, R.L.; Padmanabhan, S.; Bhat, H.B.; Malspeis, L.

    1982-01-01

    m-AMSA [4'-(9-acridinylamino)methanesulfon-m-anisidide] labeled in either the acridine or anilino portion was used to investigate the disposition of this antitumor agent in rats. The principal biliary metabolite, which accounts for approximately 80% of the total biliary radioactivity for 90 min after administration and greater than 50% of the administered dose by 180 min after administration, had both the acridine and the anilino portions intact. Isolation and purification of the principal metabolite was achieved by preparative thin-layer chromatography on silica gel and column chromatography on Amberlite XAD-2 resin. A nuclear magnetic resonance (NMR) spectrum of the CID salt in D 2 O showed that the metabolite is the m-AMSA-glutathione conjugate in which the thioether linkage occurs at the 5'-position of the anilino ring. Synthesis of the metabolite was achieved by oxidizing m-AMSA with active MnO 2 to -methanesulfonyl - - (9-acridinyl)-3'-methoxy - 2',5' - cyclohexadiene-1',4'-diimine (m-AQDI) followed by reaction of m-AQDI with glutathione. The 1 H-NMR spectrum of the synthetic product proved identical with that of the isolated metabolite. The demonstration that the principal biliary metabolite on m-AMSA involves glutathione bound to the 9-anilino ring suggests that m-AMSA may be bioactivated in vivo to the quinoidal diimine, m-AQDI

  13. Identification of fipronil metabolites by time-of-flight mass spectrometry for application in a human exposure study.

    Science.gov (United States)

    McMahen, Rebecca L; Strynar, Mark J; Dagnino, Sonia; Herr, David W; Moser, Virginia C; Garantziotis, Stavros; Andersen, Erik M; Freeborn, Danielle L; McMillan, Larry; Lindstrom, Andrew B

    2015-05-01

    Fipronil is a phenylpyrazole insecticide commonly used in residential and agricultural applications. To understand more about the potential risks for human exposure associated with fipronil, urine and serum from dosed Long Evans adult rats (5 and 10mg/kg bw) were analyzed to identify metabolites as potential biomarkers for use in human biomonitoring studies. Urine from treated rats was found to contain seven unique metabolites, two of which had not been previously reported-M4 and M7 which were putatively identified as a nitroso compound and an imine, respectively. Fipronil sulfone was confirmed to be the primary metabolite in rat serum. The fipronil metabolites identified in the respective matrices were then evaluated in matched human urine (n=84) and serum (n=96) samples from volunteers with no known pesticide exposures. Although no fipronil or metabolites were detected in human urine, fipronil sulfone was present in the serum of approximately 25% of the individuals at concentrations ranging from 0.1 to 4ng/mL. These results indicate that many fipronil metabolites are produced following exposures in rats and that fipronil sulfone is a useful biomarker in human serum. Furthermore, human exposure to fipronil may occur regularly and require more extensive characterization. Published by Elsevier Ltd.

  14. Fast Metabolite Identification in Nuclear Magnetic Resonance Metabolomic Studies: Statistical Peak Sorting and Peak Overlap Detection for More Reliable Database Queries.

    Science.gov (United States)

    Hoijemberg, Pablo A; Pelczer, István

    2018-01-05

    A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts thought to belong to a given compound. Statistical total correlation spectroscopy (STOCSY), in use for more than a decade, speeds the process by finding statistical correlations among peaks, being able to create a better peak list as input for the database query. However, the (normally not automated) analysis becomes challenging due to the intrinsic issue of peak overlap, where correlations of more than one compound appear in the STOCSY trace. Here we present a fully automated methodology that analyzes all STOCSY traces at once (every peak is chosen as driver peak) and overcomes the peak overlap obstacle. Peak overlap detection by clustering analysis and sorting of traces (POD-CAST) first creates an overlap matrix from the STOCSY traces, then clusters the overlap traces based on their similarity and finally calculates a cumulative overlap index (COI) to account for both strong and intermediate correlations. This information is gathered in one plot to help the user identify the groups of peaks that would belong to a single molecule and perform a more reliable database query. The simultaneous examination of all traces reduces the time of analysis, compared to viewing STOCSY traces by pairs or small groups, and condenses the redundant information in the 2D STOCSY matrix into bands containing similar traces. The COI helps in the detection of overlapping peaks, which can be added to the peak list from another cross-correlated band. POD-CAST overcomes the generally overlooked and underestimated presence of overlapping peaks and it detects them to include them in the search of all compounds contributing to the peak overlap, enabling the user to accelerate the metabolite identification process with more successful database queries and searching all tentative

  15. Identification of fentanyl metabolites in rat urine by gas chromatography-mass spectrometry with stable-isotope tracers

    Energy Technology Data Exchange (ETDEWEB)

    Goromaru, T.; Matsuura, H.; Furuta, T.; Baba, S.; Yoshimura, N.; Miyawaki, T.; Sameshima, T.

    The metabolites of fentanyl (l), which has been widely used as a neuroleptic analgesic agent, were identified in urine of rats by gas chromatography-mass spectrometry combined with a stable-isotope tracer technique. After the oral administration of an equimolar mixture of l and deuterium-labeled l (l/l-d5), the urinary metabolites were extracted with chloroform at pH 9.0. Extracts were derivatized and analyzed by GC/MS. Metabolites were identified by the presence of doublet ion peaks separated by 5 amu, and chemical structures were established from analyses of fragmentation pathways. The metabolites were identified as 4-N-(N-propionylanilino)-piperidine, 4-N-(N-hydroxypropionylanilino)piperidine, 4-N-(N-propionylanilino) hydroxypiperidine, 1-(2-phenethyl)-4-N-(N-hydroxypropionylanilino)piperidine and 1-(2-phenethyl)-4-N-(N-propionylanilino)hydroxypiperidine. These metabolites, together with unchanged l, were also detected in urine of rats receiving l/l-d5 intravenously, by selected-ion monitoring of the specific cluster ions.

  16. Identification of a tryptanthrin metabolite in rat liver microsomes by liquid chromatography/electrospray ionization-tandem mass spectrometry.

    Science.gov (United States)

    Lee, Sang Kyu; Kim, Ghee Hwan; Kim, Dong Hyeon; Kim, Dong Hyun; Jahng, Yurngdong; Jeong, Tae Cheon

    2007-10-01

    Tryptanthrin originally isolated from Isatis tinctoria L. has been characterized to have anti-inflammatory activities through the dual inhibition of cyclooxygenase-2 and 5-lipoxygenase mediated prostaglandin and leukotriene syntheses. To characterize phase I metabolite(s), tryptanthrin was incubated with rat liver microsomes in the presence of NADPH-generating system. One metabolite was identified by liquid chromatography/electrospray ionization-tandem mass spectrometry. M1 could be identified as a metabolite mono-hydroxylated on the aromatic ring of indole moiety from the MS(2) spectra of protonated tryptanthrin and M1. The structure of metabolite was confirmed as 8-hydroxytryptanthrin with a chemically synthesized authentic standard. The formation of M1 was NADPH-dependent and was inhibited by SKF-525A, a general CYP-inhibitor, indicating the cytochrome P450 (CYP)-mediated reaction. In addition, it was proposed that M1 might be formed by CYP 1A in rat liver microsomes from the experiments with enriched rat liver microsomes.

  17. Identification of di- and tri-substituted hydroxy and ketone metabolites of delta1-tetrahydrocannabinol in mouse liver.

    Science.gov (United States)

    Harvey, D J; Martin, B R; Paton, W D

    1977-08-01

    In vivo liver metabolites of delta1-tetrahydrocannabinol (delta1-THC) were examined with a gas chromatograph--mass spectrometer--computer system as trimethylsilyl (TMS), [2H9]TMS and methyloxime-TMS derivatives. In addition to the reported monohydroxy, acid, and hydroxyacid metabolites, the following multiply substituted metabolites were identified: 2'',7-, 3'', 7-, and 6beta,7-dihydroxy-delta1-THC; 2'',6alpha,7-, and 3'',6alpha,7-trihydroxy-delta1-THC; 2''-, 3''-, and 7-hydroxy-6-oxo-delta1-THC, and 2'',7- and 3'',7-dihydroxy-6-oxo-delta1-THC. The ketones and hydroxyacids were reduced to common alcohols with lithium aluminium deuteride and the number of deuterium atoms in the product was used to distinguish the metabolic alcohols from those produced by reduction.

  18. Identification of an Epoxide Metabolite of Lycopene in Human Plasma Using 13C-Labeling and QTOF-MS

    Directory of Open Access Journals (Sweden)

    Morgan J. Cichon

    2018-03-01

    Full Text Available The carotenoid lycopene is a bioactive component of tomatoes and is hypothesized to reduce risk of several chronic diseases, such as prostate cancer. The metabolism of lycopene is only beginning to be understood and some studies suggest that metabolites of lycopene may be partially responsible for bioactivity associated with the parent compound. The detection and characterization of these compounds in vivo is an important step in understanding lycopene bioactivity. The metabolism of lycopene likely involves both chemical and enzymatic oxidation. While numerous lycopene metabolites have been proposed, few have actually been identified in vivo following lycopene intake. Here, LC-QTOF-MS was used along with 13C-labeling to investigate the post-prandial oxidative metabolism of lycopene in human plasma. Previously reported aldehyde cleavage products were not detected, but a lycopene 1,2-epoxide was identified as a new candidate oxidative metabolite.

  19. Identification of an Epoxide Metabolite of Lycopene in Human Plasma Using 13C-Labeling and QTOF-MS.

    Science.gov (United States)

    Cichon, Morgan J; Moran, Nancy E; Riedl, Ken M; Schwartz, Steven J; Clinton, Steven K

    2018-03-20

    The carotenoid lycopene is a bioactive component of tomatoes and is hypothesized to reduce risk of several chronic diseases, such as prostate cancer. The metabolism of lycopene is only beginning to be understood and some studies suggest that metabolites of lycopene may be partially responsible for bioactivity associated with the parent compound. The detection and characterization of these compounds in vivo is an important step in understanding lycopene bioactivity. The metabolism of lycopene likely involves both chemical and enzymatic oxidation. While numerous lycopene metabolites have been proposed, few have actually been identified in vivo following lycopene intake. Here, LC-QTOF-MS was used along with 13 C-labeling to investigate the post-prandial oxidative metabolism of lycopene in human plasma. Previously reported aldehyde cleavage products were not detected, but a lycopene 1,2-epoxide was identified as a new candidate oxidative metabolite.

  20. Identification of fipronil metabolites in rodents by time-of-flight mass spectrometry for application in a human exposure study

    Science.gov (United States)

    Fipronil is a phenylpyrazole insecticide commonly used in residential and agricultural applications. To understand more about the potential risks associated with fipronil, dosed Long Evans rats were evaluated for metabolites to develop a set of biomarkers for use in human exposur...

  1. Identification of 4-hydroxyheptachlorostyrene in polar bear plasma and its binding affinity to transhyretin: a metabolite of octachlorostyrene

    NARCIS (Netherlands)

    Sandau, C.D.; Meerts, I.A.T.M.; Letcher, R.J.; McAlee, A.J.; Chittim, B.; Brouwer, A.; Norstrom, R.J.

    2000-01-01

    A new compound, 4-hydroxyheptachlorostyrene (4-OH-HpCS), was identified as a major component in the chlorinated phenolic compound fraction of polar bear plasma. The structure was hypothesized to be 4-OH-HpCS based on mass spectral interpretation, the assumption that it was a metabolite of

  2. Identification of 4-hydroxyheptachlorostyrene in polar bear plasma and its binding affinity to transthyretin : a metabolite of octachlorostyrene?

    NARCIS (Netherlands)

    Standau, C.D.; Meerts, I.A.T.M.; Letcher, R.J.; McAlees, A.J.; Chittim, B.; Brouwer, A.; Norstrom, R.J.

    2000-01-01

    A new compound, 4-hydroxyheptachlorostyrene (4-OH-HpCS), was identified as a major component in the chlorinated phenolic compound fraction of polar bear plasma. The structure was hypothesized to be 4-OH-HpCS based on mass spectral interpretation, the assumption that it was a metabolite of

  3. Identification of phase I and II metabolites of the new designer drug α-pyrrolidinohexiophenone (α-PHP) in human urine by liquid chromatography quadrupole time-of-flight mass spectrometry (LC-QTOF-MS).

    Science.gov (United States)

    Paul, Michael; Bleicher, Sergej; Guber, Susanne; Ippisch, Josef; Polettini, Aldo; Schultis, Wolfgang

    2015-11-01

    Pyrrolidinophenones represent one emerging class of newly encountered drugs of abuse, also known as 'new psychoactive substances', with stimulating psychoactive effects. In this work, we report on the detection of the new designer drug α-pyrrolidinohexiophenone (α-PHP) and its phase I and II metabolites in a human urine sample of a drug abuser. Determination and structural elucidation of these metabolites have been achieved by liquid chromatography electrospray ionisation quadrupole time-of-flight mass spectrometry (LC-ESI-QTOF-MS). By tentative identification, the exact and approximate structures of 19 phase I metabolites and nine phase II glucuronides were elucidated. Major metabolic pathways revealed the reduction of the ß-keto moieties to their corresponding alcohols, didesalkylation of the pyrrolidine ring, hydroxylation and oxidation of the aliphatic side chain leading to n-hydroxy, aldehyde and carboxylate metabolites, and oxidation of the pyrrolidine ring to its lactam followed by ring cleavage and additional hydroxylation, reduction and oxidation steps and combinations thereof. The most abundant phase II metabolites were glucuronidated ß-keto-reduced alcohols. Besides the great number of metabolites detected in this sample, α-PHP is still one of the most abundant ions together with its ß-keto-reduced alcoholic dihydro metabolite. Monitoring of these metabolites in clinical and forensic toxicology may unambiguously prove the abuse of the new designer drug α-PHP. Copyright © 2015 John Wiley & Sons, Ltd.

  4. Fisetin disposition and metabolism in mice: Identification of geraldol as an active metabolite. : Fisetin disposition and metabolism in mice

    OpenAIRE

    Touil, Yasmine,; Auzeil, Nicolas; Boulinguez, François; Saighi, Hanane; Regazzetti, Anne; Scherman, Daniel; Chabot, Guy,

    2011-01-01

    International audience; Although the natural flavonoid fisetin (3,3',4',7-tetrahydroxyflavone) has been recently identified as an anticancer agent with antiangiogenic properties in mice, its in vivo pharmacokinetics and metabolism are presently not characterized. Our purpose was to determine the pharmacokinetics and metabolism of fisetin in mice and determine the biological activity of a detected fisetin metabolite. After fisetin administration of an efficacious dose of 223 mg/kg i.p. in mice...

  5. Identification and Partial Structural Characterization of Mass Isolated Valsartan and Its Metabolite with Messenger Tagging Vibrational Spectroscopy

    Science.gov (United States)

    Gorlova, Olga; Colvin, Sean M.; Brathwaite, Antonio; Menges, Fabian S.; Craig, Stephanie M.; Miller, Scott J.; Johnson, Mark A.

    2017-08-01

    Recent advances in the coupling of vibrational spectroscopy with mass spectrometry create new opportunities for the structural characterization of metabolites with great sensitivity. Previous studies have demonstrated this scheme on 300 K ions using very high power free electron lasers in the fingerprint region of the infrared. Here we extend the scope of this approach to a single investigator scale as well as extend the spectral range to include the OH stretching fundamentals. This is accomplished by detecting the IR absorptions in a linear action regime by photodissociation of weakly bound N2 molecules, which are attached to the target ions in a cryogenically cooled, rf ion trap. We consider the specific case of the widely used drug Valsartan and two isomeric forms of its metabolite. Advantages and challenges of the cold ion approach are discussed, including disentangling the role of conformers and the strategic choices involved in the selection of the charging mechanism that optimize spectral differentiation among candidate structural isomers. In this case, the Na+ complexes are observed to yield sharp resonances in the high frequency NH and OH stretching regions, which can be used to easily differentiate between two isomers of the metabolite. [Figure not available: see fulltext.

  6. Identification of low-dose responsive metabolites in X-irradiated human B lymphoblastoid cells and fibroblasts

    International Nuclear Information System (INIS)

    Tsuyama, Naohiro; Katafuchi, Atsushi; Abe, Yu; Kurosu, Yumiko; Yoshida, Mitsuaki; Kamiya, Kenji; Sakai, Akira; Mizuno, Hajime

    2015-01-01

    Ionizing radiation (IR) induces cellular stress responses, such as signal transduction, gene expression, protein modification, and metabolite change that affect cellular behavior. We analyzed X-irradiated human Epstein-Barr virus-transformed B lymphoblastoid cells and normal fibroblasts to search for metabolites that would be suitable IR-responsive markers by Liquid Chromotography–Mass spectrometry (LC–MS). Mass spectra, as analyzed with principal component analysis, showed that the proportion of peaks with IR-induced change was relatively small compared with the influence of culture time. Dozens of peaks that had either been upregulated or downregulated by IR were extracted as candidate IR markers. The IR-changed peaks were identified by comparing mock-treated groups to 100 mGy-irradiated groups that had recovered after 10 h, and the results indicated that the metabolites involved in nucleoside synthesis increased and that some acylcarnitine levels decreased in B lymphoblastoids. Some peaks changed by as much as 20 mGy, indicating the presence of an IR-sensitive signal transduction/metabolism control mechanism in these cells. On the other hand, we could not find common IR-changed peaks in fibroblasts of different origin. These data suggest that cell phenotype-specific pathways exist, even in low-dose responses, and could determine cell behavior. (author)

  7. Patterns identification in supervisory systems of nuclear reactors installations and gas pipelines systems using self-organizing maps; Identificacao de padroes em sistemas supervisorios de instalacoes de reatores nucleares e em sistemas de gasodutos utilizando mapas auto-organizaveis

    Energy Technology Data Exchange (ETDEWEB)

    Doraskevicius Junior, Waldemar

    2005-07-01

    Self-Organizing Maps, SOM, of Kohonen were studied, implemented and tested with the aim of developing, for the energy branch, an effective tool especially for transient identification in nuclear reactors and for gas pipelines networks logistic supervision, by classifying operations and identifying transients or abnormalities. The digital system for the test was developed in Java platform, for the portability and scalability, and for belonging to free development platforms. The system, executed in personal computers, showed satisfactory results to aid in decision taking, by classifying IRIS (International Reactor Innovative and Secure) reactor operation conditions (data from simulator) and by classifying Southeast (owner: TRANSPETRO - Brazil) gas pipeline network. Various adaptations were needed for such business, as new topologies for the output layer of artificial neural network and particular preparation for the input data. (author)

  8. Read-Split-Run: an improved bioinformatics pipeline for identification of genome-wide non-canonical spliced regions using RNA-Seq data.

    Science.gov (United States)

    Bai, Yongsheng; Kinne, Jeff; Donham, Brandon; Jiang, Feng; Ding, Lizhong; Hassler, Justin R; Kaufman, Randal J

    2016-08-22

    Most existing tools for detecting next-generation sequencing-based splicing events focus on generic splicing events. Consequently, special types of non-canonical splicing events of short mRNA regions (IRE1α targeted) have not yet been thoroughly addressed at a genome-wide level using bioinformatics approaches in conjunction with next-generation technologies. During endoplasmic reticulum (ER) stress, the gene encoding the RNase Ire1α is known to splice out a short 26 nt region from the mRNA of the transcription factor Xbp1 non-canonically within the cytosol. This causes an open reading frame-shift that induces expression of many downstream genes in reaction to ER stress as part of the unfolded protein response (UPR). We previously published an algorithm termed "Read-Split-Walk" (RSW) to identify non-canonical splicing regions using RNA-Seq data and applied it to ER stress-induced Ire1α heterozygote and knockout mouse embryonic fibroblast cell lines. In this study, we have developed an improved algorithm "Read-Split-Run" (RSR) for detecting genome-wide Ire1α-targeted genes with non-canonical spliced regions at a faster speed. We applied the RSR algorithm using different combinations of several parameters to the previously RSW tested mouse embryonic fibroblast cells (MEF) and the human Encyclopedia of DNA Elements (ENCODE) RNA-Seq data. We also compared the performance of RSR with two other alternative splicing events identification tools (TopHat (Trapnell et al., Bioinformatics 25:1105-1111, 2009) and Alt Event Finder (Zhou et al., BMC Genomics 13:S10, 2012)) utilizing the context of the spliced Xbp1 mRNA as a positive control in the data sets we identified it to be the top cleavage target present in Ire1α (+/-) but absent in Ire1α (-/-) MEF samples and this comparison was also extended to human ENCODE RNA-Seq data. Proof of principle came in our results by the fact that the 26 nt non-conventional splice site in Xbp1 was detected as the top hit by our new RSR

  9. Identification of Gene-Specific Polymorphisms and Association with Capsaicin Pathway Metabolites in Capsicum annuum L. Collections

    Science.gov (United States)

    Abburi, Venkata L.; Alaparthi, Suresh Babu; Unselt, Desiree; Hankins, Gerald; Park, Minkyu; Choi, Doil

    2014-01-01

    Pepper (Capsicum annuum L.) is an economically important crop with added nutritional value. Production of capsaicin is an important quantitative trait with high environmental variance, so the development of markers regulating capsaicinoid accumulation is important for pepper breeding programs. In this study, we performed association mapping at the gene level to identify single nucleotide polymorphisms (SNPs) associated with capsaicin pathway metabolites in a diverse Capsicum annuum collection during two seasons. The genes Pun1, CCR, KAS and HCT were sequenced and matched with the whole-genome sequence draft of pepper to identify SNP locations and for further characterization. The identified SNPs for each gene underwent candidate gene association mapping. Association mapping results revealed Pun1 as a key regulator of major metabolites in the capsaicin pathway mainly affecting capsaicinoids and precursors for acyl moieties of capsaicinoids. Six different SNPs in the promoter sequence of Pun1 were found associated with capsaicin in plants from both seasons. Our results support that CCR is an important control point for the flux of p-coumaric acid to specific biosynthesis pathways. KAS was found to regulate the major precursors for acyl moieties of capsaicinoids and may play a key role in capsaicinoid production. Candidate gene association mapping of Pun1 suggested that the accumulation of capsaicinoids depends on the expression of Pun1, as revealed by the most important associated SNPs found in the promoter region of Pun1. PMID:24475113

  10. Identification of the Major Components of Buddleja officinalis Extract and Their Metabolites in Rat Urine by UHPLC-LTQ-Orbitrap.

    Science.gov (United States)

    Sun, Mohan; Luo, Zhiqiang; Liu, Yang; Yang, Ruirui; Lu, Lina; Yu, Guohua; Ma, Xiaoyun; Liu, Aoxue; Guo, Yafang; Zhao, Haiyu

    2016-10-01

    Buddleja officinalis Maxim, one of the most popular herbal medicines in China, is widely prescribed for curing eye diseases for centuries. In this study, the major components of B. officinalis extract (BOE) and their metabolites in rat urine were detected and identified by ultra-high-pressure liquid chromatography coupled with linear ion trap-orbitrap tandem mass spectrometry (UHPLC-LTQ-Orbitrap). A total of 19 compounds, including 8 flavonoids and 11 phenylethanoid glycosides, were confirmed or tentatively identified from BOE. In vivo, 33 components, including 3 prototypes and 30 metabolies, were confirmed or tentatively identified in rat urine samples. The metabolic pathways of different types of compounds were also proposed. This study would effectively narrow the range of potentially bioactive constituents of BOE and shed light to its action mechanism. © 2016 Institute of Food Technologists®.

  11. Spectroscopic identification and anti-biofilm properties of polar metabolites from the medicinal plant Helichrysum italicum against Pseudomonas aeruginosa.

    Science.gov (United States)

    D'Abrosca, Brigida; Buommino, Elisabetta; D'Angelo, Grazia; Coretti, Lorena; Scognamiglio, Monica; Severino, Valeria; Pacifico, Severina; Donnarumma, Giovanna; Fiorentino, Antonio

    2013-11-15

    Two new acylated styrylpyrones, one 5-methoxy-1(3H)-isobenzofuranone glucoside and a hydroxymethyl-orcinol derivative, along with sixteen known aromatic metabolites, including lignans, quinic acid derivatives low-molecular weight phenol glucosides, have been isolated from the methanol extract of Helichrysum italicum, a medicinal plant typical of the Mediterranean vegetation. The structures of these compounds have been elucidated on the basis of extensive 2D-NMR spectroscopic analyses, including COSY, TOCSY, HSQC, CIGAR-HMBC, H2BC and HSQC-TOCSY, along with Q-TOF HRMS(2) analysis. Selected compounds were evaluated for their anti-biofilm properties against Pseudomonas aeruginosa. Copyright © 2013. Published by Elsevier Ltd.

  12. Understanding the magnitude of emergent contaminant releases through target screening and metabolite identification using high resolution mass spectrometry: Illicit drugs in raw sewage influents.

    Science.gov (United States)

    Heuett, Nubia V; Batchu, Sudha Rani; Gardinali, Piero R

    2015-01-23

    A QExactive Orbitrap was used for the identification of phase I and II transformation products (TPs) of illicit drugs in raw sewage influents. Two operating modes (targeted MS(2) and Data-dependent screening) were used for data acquisition. Even though, data-dependent scan is a faster route towards the potential identification of metabolites, it suffered from its limitation to provide enough data points across the chromatographic peak during the MS(2) cycle in contrast to targeted MS(2). Therefore, the later technique was implemented as the method of choice in this study for the positive confirmation and quantitation of TPs (n=54). The vast majority of the identified TPs were products of phase I transformation reactions, with the latter being more prevalent in the nature. Estimated mole fractions showed that for a large number of the analytes, TPs must also be monitored in order to fully understand their environmental fate and calculate potential consumption. Copyright © 2014 Elsevier B.V. All rights reserved.

  13. Removable pipeline plug

    International Nuclear Information System (INIS)

    Vassalotti, M.; Anastasi, F.

    1984-01-01

    A removable plugging device for a pipeline, and particularly for pressure testing a steam pipeline in a boiling water reactor, wherein an inflatable annular sealing member seals off the pipeline and characterized by radially movable shoes for holding the plug in place, each shoe being pivotally mounted for self-adjusting engagement with even an out-of-round pipeline interior

  14. Pipeline integrity management

    Energy Technology Data Exchange (ETDEWEB)

    Guyt, J.; Macara, C.

    1997-12-31

    This paper focuses on some of the issues necessary for pipeline operators to consider when addressing the challenge of managing the integrity of their systems. Topics are: Definition; business justification; creation and safeguarding of technical integrity; control and deviation from technical integrity; pipelines; pipeline failure assessment; pipeline integrity assessment; leak detection; emergency response. 6 figs., 3 tabs.

  15. Pipeline monitoring with unmanned aerial vehicles

    Science.gov (United States)

    Kochetkova, L. I.

    2018-05-01

    Pipeline leakage during transportation of combustible substances leads to explosion and fire thus causing death of people and destruction of production and accommodation facilities. Continuous pipeline monitoring allows identifying leaks in due time and quickly taking measures for their elimination. The paper describes the solution of identification of pipeline leakage using unmanned aerial vehicles. It is recommended to apply the spectral analysis with input RGB signal to identify pipeline damages. The application of multi-zone digital images allows defining potential spill of oil hydrocarbons as well as possible soil pollution. The method of multi-temporal digital images within the visible region makes it possible to define changes in soil morphology for its subsequent analysis. The given solution is cost efficient and reliable thus allowing reducing timing and labor resources in comparison with other methods of pipeline monitoring.

  16. Underground pipeline corrosion

    CERN Document Server

    Orazem, Mark

    2014-01-01

    Underground pipelines transporting liquid petroleum products and natural gas are critical components of civil infrastructure, making corrosion prevention an essential part of asset-protection strategy. Underground Pipeline Corrosion provides a basic understanding of the problems associated with corrosion detection and mitigation, and of the state of the art in corrosion prevention. The topics covered in part one include: basic principles for corrosion in underground pipelines, AC-induced corrosion of underground pipelines, significance of corrosion in onshore oil and gas pipelines, n

  17. Identification of metabolites involved in the biodegradation of the ionic liquid 1-butyl-3-methylpyridinium bromide by activated sludge microorganisms.

    Science.gov (United States)

    Pham, Thi Phuong Thuy; Cho, Chul-Woong; Jeon, Che-Ok; Chung, Yun-Jo; Lee, Min-Woo; Yun, Yeoung-Sang

    2009-01-15

    Ionic liquids (ILs) are low melting organic salts that potentially comprise wide application due to their fascinating properties and have emerged as promising "green" replacements for volatile organic solvents. Despite their nonmeasurable vapor pressure, some quantities of ILs will soon be present in effluent discharges since they do have significant solubility in water. Recently, the toxic effects of ILs toward aquatic communities have been intensively investigated, but little information is available concerning the biodegradable properties of these compounds. The objective of this study was to identify the metabolites generated during the biotransformation of 1-butyl-3-methylpyridinium by microorganisms in aerobic activated sludge. The obtained results revealed that the alkylpyridinium salt was metabolized through the sequential oxidization in different positions of the alkyl side chains. High-performance liquid chromatography and mass-spectrometry analyses demonstrated that this biodegradation led to the formation of 1-hydroxybutyl-3-methylpyridinium, 1-(2-hydroxybutal)-3-methylpyridinium, 1-(2-hydroxyethyl)-3-methylpyridinium, and methylpyridine. On the basis of these intermediate products, biodegradation pathways were also suggested. These findings provide the basic information that might be useful for assessing the factors related to the environmental fate and behavior of this commonly used pyridinium IL.

  18. Pathway Analysis and Metabolites Identification by Metabolomics of Etiolation Substrate from Fresh-Cut Chinese Water Chestnut (Eleocharis tuberosa

    Directory of Open Access Journals (Sweden)

    Yi-Xiao Li

    2016-12-01

    Full Text Available Fresh-cut Chinese water chestnuts (CWC turn yellow after being peeled, reducing their shelf life and commercial value. Metabolomics, the systematic study of the full complement of small molecular metabolites, was useful for clarifying the mechanism of fresh-cut CWC etiolation and developing methods to inhibit yellowing. In this study, metabolic alterations associated with etiolation at different growth stages (0 day, 2 days, 3 days, 4 days, 5 days from fresh-cut CWC were investigated using LC–MS and analyzed by pattern recognition methods (principal component analysis (PCA, partial least squares-discriminant analysis (PLS-DA, and orthogonal projection to latent structures-discriminant analysis (OPLS-DA. The metabolic pathways of the etiolation molecules were elucidated. The main metabolic pathway appears to be the conversion of phenylalanine to p-coumaroyl-CoA, followed by conversion to naringenin chalcone, to naringenin, and naringenin then following different pathways. Firstly, it can transform into apigenin and its derivatives; secondly, it can produce eriodictyol and its derivatives; and thirdly it can produce dihydrokaempferol, quercetin, and myricetin. The eriodictyol can be further transformed to luteolin, cyanidin, dihydroquercetin, dihydrotricetin, and others. This is the first reported use of metabolomics to study the metabolic pathways of the etiolation of fresh-cut CWC.

  19. GABAA receptor activity modulating piperine analogs: In vitro metabolic stability, metabolite identification, CYP450 reaction phenotyping, and protein binding.

    Science.gov (United States)

    Zabela, Volha; Hettich, Timm; Schlotterbeck, Götz; Wimmer, Laurin; Mihovilovic, Marko D; Guillet, Fabrice; Bouaita, Belkacem; Shevchenko, Bénédicte; Hamburger, Matthias; Oufir, Mouhssin

    2018-01-01

    In a screening of natural products for allosteric modulators of GABA A receptors (γ-aminobutyric acid type A receptor), piperine was identified as a compound targeting a benzodiazepine-independent binding site. Given that piperine is also an activator of TRPV1 (transient receptor potential vanilloid type 1) receptors involved in pain signaling and thermoregulation, a series of piperine analogs were prepared in several cycles of structural optimization, with the aim of separating GABA A and TRPV1 activating properties. We here investigated the metabolism of piperine and selected analogs in view of further cycles of lead optimization. Metabolic stability of the compounds was evaluated by incubation with pooled human liver microsomes, and metabolites were analyzed by UHPLC-Q-TOF-MS. CYP450 isoenzymes involved in metabolism of compounds were identified by reaction phenotyping with Silensomes™. Unbound fraction in whole blood was determined by rapid equilibrium dialysis. Piperine was the metabolically most stable compound. Aliphatic hydroxylation, and N- and O-dealkylation were the major routes of oxidative metabolism. Piperine was exclusively metabolized by CYP1A2, whereas CYP2C9 contributed significantly in the oxidative metabolism of all analogs. Extensive binding to blood constituents was observed for all compounds. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Determination and identification of synthetic cannabinoids and their metabolites in different matrices by modern analytical techniques – a review

    Energy Technology Data Exchange (ETDEWEB)

    Znaleziona, Joanna; Ginterová, Pavlína; Petr, Jan [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic); Ondra, Peter; Válka, Ivo [Department of Forensic Medicine and Medical Law Faculty Hospital, Hněvotínská 3, Olomouc CZ-77146 (Czech Republic); Ševčík, Juraj [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic); Chrastina, Jan [Institute of Special Education Studies, Faculty of Education, Palacký University, Žižkovo náměsti 5, Olomouc CZ-77146 (Czech Republic); Maier, Vítězslav, E-mail: vitezslav.maier@upol.cz [Regional Centre of Advanced Technologies and Materials, Department of Analytical Chemistry, Faculty of Science, Palacký University, 17. Listopadu 12, Olomouc CZ-77146 (Czech Republic)

    2015-05-18

    Highlights: • Synthetic cannabinoids from analytical point of view. • Determination and identification methods of synthetic cannabinoids in different matrices. • Analytical techniques used from thin layer chromatography to high resolution mass spectrometry. • Detailed survey of gas and liquid chromatography methods for synthetic cannabinoids analysis. - Abstract: Synthetic cannabinoids have gained popularity due to their easy accessibility and psychoactive effects. Furthermore, they cannot be detected in urine by routine drug monitoring. The wide range of active ingredients in analyzed matrices hinders the development of a standard analytical method for their determination. Moreover, their possible side effects are not well known which increases the danger. This review is focused on the sample preparation and the determination of synthetic cannabinoids in different matrices (serum, urine, herbal blends, oral fluid, hair) published since 2004. The review includes separation and identification techniques, such as thin layer chromatography, gas and liquid chromatography and capillary electrophoresis, mostly coupled with mass spectrometry. The review also includes results by spectral methods like infrared spectroscopy, nuclear magnetic resonance or direct-injection mass spectrometry.

  1. Determination and identification of synthetic cannabinoids and their metabolites in different matrices by modern analytical techniques – a review

    International Nuclear Information System (INIS)

    Znaleziona, Joanna; Ginterová, Pavlína; Petr, Jan; Ondra, Peter; Válka, Ivo; Ševčík, Juraj; Chrastina, Jan; Maier, Vítězslav

    2015-01-01

    Highlights: • Synthetic cannabinoids from analytical point of view. • Determination and identification methods of synthetic cannabinoids in different matrices. • Analytical techniques used from thin layer chromatography to high resolution mass spectrometry. • Detailed survey of gas and liquid chromatography methods for synthetic cannabinoids analysis. - Abstract: Synthetic cannabinoids have gained popularity due to their easy accessibility and psychoactive effects. Furthermore, they cannot be detected in urine by routine drug monitoring. The wide range of active ingredients in analyzed matrices hinders the development of a standard analytical method for their determination. Moreover, their possible side effects are not well known which increases the danger. This review is focused on the sample preparation and the determination of synthetic cannabinoids in different matrices (serum, urine, herbal blends, oral fluid, hair) published since 2004. The review includes separation and identification techniques, such as thin layer chromatography, gas and liquid chromatography and capillary electrophoresis, mostly coupled with mass spectrometry. The review also includes results by spectral methods like infrared spectroscopy, nuclear magnetic resonance or direct-injection mass spectrometry

  2. Antifungal and antimycotoxigenic metabolites in Anacardiaceae species from northwest Argentina: isolation, identification and potential for control of Fusarium species.

    Science.gov (United States)

    Aristimuño Ficoseco, M E; Vattuone, M A; Audenaert, K; Catalán, C A N; Sampietro, D A

    2014-05-01

    The purpose of this research was to identify antifungal compounds from leaves of Schinus and Schinopsis species useful for the control of toxigenic Fusarium species responsible of ear rot diseases. Leaves of Schinopsis (S. lorentzii and S. haenkeana) and Schinus (S. areira, S. gracilipes and S. fasciculatus) were sequentially extracted with dichloromethane, ethyl acetate and methanol. The antifungal activity of the fraction soluble in methanol of these extracts (fCH2Cl2, fAcEt and fMeOH, respectively) was determined by the broth microdilution method and the disc-diffusion method. The minimum inhibitory dose (MID), the diameter of growth inhibition (DGI) and the minimum concentration for 50% inhibition of fungal growth (MIC50) were calculated. The fCH2Cl2 and fAcEt of the Schinopsis species had the lowest MID and MIC50 values and the highest DGI. The antifungal compounds were identified as lupeol and a mix of phenolic lipids. The last one had the highest antifungal activity with MIC50 31-28 μg g(-1) and 165-150 μg g(-1) on Fusarium graminearum and Fusarium verticillioides, respectively. The identified metabolites completely inhibited fumonisin and deoxynivalenol production at lower concentrations than ferulic acid, a natural antimycotoxigenic compound. It was proven that lupeol and phenolic lipids were inhibitors of both fungal growth and mycotoxin production of toxigenic Fusarium species. This fact is specially interesting in the control of the toxigenic Fusarium species because several commercial antifungals showed to stimulate mycotoxin biosynthesis at sublethal concentrations. Control of toxigenic Fusarium species requires compounds able to inhibit both fungal growth and mycotoxin production. Our results suggest that the use of lupeol as food preservative and the phenolic lipids as fungal growth inhibitors of F. verticillioides and F. graminearum did not imply an increase in mycotoxin accumulation. © 2014 The Society for Applied Microbiology.

  3. Bioactive endophytic fungi isolated from Caesalpinia echinata Lam. (Brazilwood and identification of beauvericin as a trypanocidal metabolite from Fusarium sp.

    Directory of Open Access Journals (Sweden)

    Fernanda Fraga Campos

    2015-02-01

    Full Text Available Aiming to identify new sources of bioactive secondary metabolites, we isolated 82 endophytic fungi from stems and barks of the native Brazilian tree Caesalpinia echinata Lam. (Fabaceae. We tested their ethyl acetate extracts in several in vitro assays. The organic extracts from three isolates showed antibacterial activity against Staphylococcus aureus and Escherichia coli [minimal inhibitory concentration (MIC 32-64 μg/mL]. One isolate inhibited the growth of Salmonella typhimurium (MIC 64 μg/mL and two isolates inhibited the growth of Klebsiella oxytoca (MIC 64 μg/mL, Candida albicans and Candida tropicalis (MIC 64-128 μg/mL. Fourteen extracts at a concentration of 20 μg/mL showed antitumour activities against human breast cancer and human renal cancer cells, while two isolates showed anti-tumour activities against human melanoma cancer cells. Six extracts were able to reduce the proliferation of human peripheral blood mononuclear cells, indicating some degree of selective toxicity. Four isolates were able to inhibit Leishmania (Leishmania amazonensis and one isolate inhibited Trypanosoma cruzi by at least 40% at 20 μg/mL. The trypanocidal extract obtained from Fusarium sp. [KF611679] culture was subjected to bioguided fractionation, which revealed beauvericin as the compound responsible for the observed toxicity of Fusarium sp. to T. cruzi. This depsipeptide showed a half maximal inhibitory concentration of 1.9 μg/mL (2.43 μM in a T. cruzi cellular culture assay.

  4. Identification of liver protein targets modified by tienilic acid metabolites using a two-dimensional Western blot-mass spectrometry approach

    Science.gov (United States)

    Methogo, Ruth Menque; Dansette, Patrick M.; Klarskov, Klaus

    2007-12-01

    A combined approach based on two-dimensional electrophoresis-immuno-blotting and nanoliquid chromatography coupled on-line with electrospray ionization mass spectrometry (nLC-MS/MS) was used to identify proteins modified by a reactive intermediate of tienilic acid (TA). Liver homogenates from rats exposed to TA were fractionated using ultra centrifugation; four fractions were obtained and subjected to 2D electrophoresis. Following transfer to PVDF membranes, modified proteins were visualized after India ink staining, using an anti-serum raised against TA and ECL detection. Immuno-reactive spots were localized on the PVDF membrane by superposition of the ECL image, protein spots of interest were excised, digested on the membrane with trypsin followed by nLC-MS/MS analysis and protein identification. A total of 15 proteins were identified as likely targets modified by a TA reactive metabolite. These include selenium binding protein 2, senescence marker protein SMP-30, adenosine kinase, Acy1 protein, adenosylhomocysteinase, capping protein (actin filament), protein disulfide isomerase, fumarylacetoacetase, arginase chain A, ketohexokinase, proteasome endopeptidase complex, triosephosphate isomerase, superoxide dismutase, dna-type molecular chaperone hsc73 and malate dehydrogenase.

  5. Pipeline integrity: ILI baseline data for QRA

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Todd R. [Tuboscope Pipeline Services, Houston, TX (United States)]. E-mail: tporter@varco.com; Silva, Jose Augusto Pereira da [Pipeway Engenharia, Rio de Janeiro, RJ (Brazil)]. E-mail: guto@pipeway.com; Marr, James [MARR and Associates, Calgary, AB (Canada)]. E-mail: jmarr@marr-associates.com

    2003-07-01

    The initial phase of a pipeline integrity management program (IMP) is conducting a baseline assessment of the pipeline system and segments as part of Quantitative Risk Assessment (QRA). This gives the operator's integrity team the opportunity to identify critical areas and deficiencies in the protection, maintenance, and mitigation strategies. As a part of data gathering and integration of a wide variety of sources, in-line inspection (ILI) data is a key element. In order to move forward in the integrity program development and execution, the baseline geometry of the pipeline must be determined with accuracy and confidence. From this, all subsequent analysis and conclusions will be derived. Tuboscope Pipeline Services (TPS), in conjunction with Pipeway Engenharia of Brazil, operate ILI inertial navigation system (INS) and Caliper geometry tools, to address this integrity requirement. This INS and Caliper ILI tool data provides pipeline trajectory at centimeter level resolution and sub-metre 3D position accuracy along with internal geometry - ovality, dents, misalignment, and wrinkle/buckle characterization. Global strain can be derived from precise INS curvature measurements and departure from the initial pipeline state. Accurate pipeline elevation profile data is essential in the identification of sag/over bend sections for fluid dynamic and hydrostatic calculations. This data, along with pipeline construction, operations, direct assessment and maintenance data is integrated in LinaViewPRO{sup TM}, a pipeline data management system for decision support functions, and subsequent QRA operations. This technology provides the baseline for an informed, accurate and confident integrity management program. This paper/presentation will detail these aspects of an effective IMP, and experience will be presented, showing the benefits for liquid and gas pipeline systems. (author)

  6. Liquid Chromatography Electrospray Ionization Tandem Mass Spectrometric (LC/ESI-MS/MS) Study for the Identification and Characterization of In Vivo Metabolites of Cisplatin in Rat Kidney Cancer Tissues: Online Hydrogen/Deuterium (H/D) Exchange Study.

    Science.gov (United States)

    Bandu, Raju; Ahn, Hyun Soo; Lee, Joon Won; Kim, Yong Woo; Choi, Seon Hee; Kim, Hak Jin; Kim, Kwang Pyo

    2015-01-01

    In vivo rat kidney tissue metabolites of an anticancer drug, cisplatin (cis-diamminedichloroplatinum [II]) (CP) which is used for the treatment of testicular, ovarian, bladder, cervical, esophageal, small cell lung, head and neck cancers, have been identified and characterized by using liquid chromatography positive ion electrospray ionization tandem mass spectrometry (LC/ESI-MS/MS) in combination with on line hydrogen/deuterium exchange (HDX) experiments. To identify in vivo metabolites, kidney tissues were collected after intravenous administration of CP to adult male Sprague-Dawley rats (n = 3 per group). The tissue samples were homogenized and extracted using newly optimized metabolite extraction procedure which involves liquid extraction with phosphate buffer containing ethyl acetate and protein precipitation with mixed solvents of methanol-water-chloroform followed by solid-phase clean-up procedure on Oasis HLB 3cc cartridges and then subjected to LC/ESI-HRMS analysis. A total of thirty one unknown in vivo metabolites have been identified and the structures of metabolites were elucidated using LC-MS/MS experiments combined with accurate mass measurements. Online HDX experiments have been used to further support the structural characterization of metabolites. The results showed that CP undergoes a series of ligand exchange biotransformation reactions with water and other nucleophiles like thio groups of methionine, cysteine, acetylcysteine, glutathione and thioether. This is the first research approach focused on the structure elucidation of biotransformation products of CP in rats, and the identification of metabolites provides essential information for further pharmacological and clinical studies of CP, and may also be useful to develop various effective new anticancer agents.

  7. Identification and quantification of 35 psychotropic drugs and metabolites in hair by LC-MS/MS: application in forensic toxicology.

    Science.gov (United States)

    Maublanc, Julie; Dulaurent, Sylvain; Morichon, Julien; Lachâtre, Gérard; Gaulier, Jean-michel

    2015-03-01

    Despite a non-invasive sampling, hair samples are generally collected in limited amounts for an obvious esthetic reason. In order to reduce the required quantity of samples, a multianalytes method allowing simultaneous identification and quantification of 35 psychoactive drugs was developed. After incubation of 50 mg of hair in a phosphate buffer pH 5 for one night at room temperature, the substances of interest were extracted by a simple liquid-liquid extraction step, with a dichloromethane/ether mixture (70:30, v/v). After evaporation under a gentle stream of nitrogen and reconstitution in formate buffer (2 mM, pH 3)/acetonitrile (90:10, v/v), twenty microliter were injected into the LC-MS/MS system for a chromatographic run of 29 min using an Atlantis T3 column (150 × 2.1 mm, 3 μm) (Waters Corp, Milford, USA) and a gradient mixture of 2 mM, pH 3.0 ammonium formate, and 2 mM, pH 3.0 ammonium formate/acetonitrile. The data acquisition was performed in scheduled MRM mode. Intra- and inter-day precisions, estimated using the coefficient of variation and relative bias, were lower than 20 % for all concentration levels, except for two compounds. The limits of detection and quantification ranged from 0.5 to 10 pg/mg. After complete validation, this method has been successfully used in several forensic cases, three of which are reported.

  8. North America pipeline map

    International Nuclear Information System (INIS)

    Anon.

    2005-01-01

    This map presents details of pipelines currently in place throughout North America. Fifty-nine natural gas pipelines are presented, as well as 16 oil pipelines. The map also identifies six proposed natural gas pipelines. Major cities, roads and highways are included as well as state and provincial boundaries. The National Petroleum Reserve is identified, as well as the Arctic National Wildlife Refuge. The following companies placed advertisements on the map with details of the services they provide relating to pipeline management and construction: Ferus Gas Industries Trust; Proline; SulfaTreat Direct Oxidation; and TransGas. 1 map

  9. Common Data Analysis Pipeline | Office of Cancer Clinical Proteomics Research

    Science.gov (United States)

    CPTAC supports analyses of the mass spectrometry raw data (mapping of spectra to peptide sequences and protein identification) for the public using a Common Data Analysis Pipeline (CDAP). The data types available on the public portal are described below. A general overview of this pipeline can be downloaded here. Mass Spectrometry Data Formats RAW (Vendor) Format

  10. Motif-Independent De Novo Detection of Secondary Metabolite Gene Clusters – Towards Identification of Novel Secondary Metabolisms from Filamentous Fungi -

    Directory of Open Access Journals (Sweden)

    Myco eUmemura

    2015-05-01

    Full Text Available Secondary metabolites are produced mostly by clustered genes that are essential to their biosynthesis. The transcriptional expression of these genes is often cooperatively regulated by a transcription factor located inside or close to a cluster. Most of the secondary metabolism biosynthesis (SMB gene clusters identified to date contain so-called core genes with distinctive sequence features, such as polyketide synthase (PKS and non-ribosomal peptide synthetase (NRPS. Recent efforts in sequencing fungal genomes have revealed far more SMB gene clusters than expected based on the number of core genes in the genomes. Several bioinformatics tools have been developed to survey SMB gene clusters using the sequence motif information of the core genes, including SMURF and antiSMASH.More recently, accompanied by the development of sequencing techniques allowing to obtain large-scale genomic and transcriptomic data, motif-independent prediction methods of SMB gene clusters, including MIDDAS-M, have been developed. Most these methods detect the clusters in which the genes are cooperatively regulated at transcriptional levels, thus allowing the identification of novel SMB gene clusters regardless of the presence of the core genes. Another type of the method, MIPS-CG, uses the characteristics of SMB genes, which are highly enriched in non-syntenic blocks (NSBs, enabling the prediction even without transcriptome data although the results have not been evaluated in detail. Considering that large portion of SMB gene clusters might be sufficiently expressed only in limited uncommon conditions, it seems that prediction of SMB gene clusters by bioinformatics and successive experimental validation is an only way to efficiently uncover hidden SMB gene clusters. Here, we describe and discuss possible novel approaches for the determination of SMB gene clusters that have not been identified using conventional methods.

  11. Separation, purification and identification of the major selenium metabolite from human urine by multi-dimensional HPLC-ICP-MS and APCI-MS

    DEFF Research Database (Denmark)

    Gammelgaard, Bente; Madsen, K.G.; Bjerrum, J.

    2003-01-01

    volunteers were collected and analysed by ion-pair chromatography with ICP-MS detection for this major selenium metabolite. Samples containing the metabolite were pooled and solid phase extracted to remove ionic substances. The extracted pool was purified and preconcentrated twice by preparative reversed...

  12. The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in multi-samples in vivo.

    Science.gov (United States)

    Wang, Jianwei; Qi, Peng; Hou, Jinjun; Shen, Yao; Yang, Min; Bi, Qirui; Deng, Yanping; Shi, Xiaojian; Feng, Ruihong; Feng, Zijin; Wu, Wanying; Guo, Dean

    2017-02-05

    Drug metabolites identification and construction of metabolic profile are meaningful work for the drug discovery and development. The great challenge during this process is the work of the structural clarification of possible metabolites in the complicated biological matrix, which often resulting in a huge amount data sets, especially in multi-samples in vivo. Analyzing these complex data manually is time-consuming and laborious. The object of this study was to develop a practical strategy for screening and identifying of metabolites from multiple biological samples efficiently. Using hirsutine (HTI), an active components of Uncaria rhynchophylla (Gouteng in Chinese) as a model and its plasma, urine, bile, feces and various tissues were analyzed with data processing software (Metwork), data mining tool (Progenesis QI), and HR-MS n data by ultra-high performance liquid chromatography/linear ion trap-Orbitrap mass spectrometry (U-HPLC/LTQ-Orbitrap-MS). A total of 67 metabolites of HTI in rat biological samples were tentatively identified with established library, and to our knowledge most of which were reported for the first time. The possible metabolic pathways were subsequently proposed, hydroxylation, dehydrogenation, oxidation, N-oxidation, hydrolysis, reduction and glucuronide conjugation were mainly involved according to metabolic profile. The result proved application of this improved strategy was efficient, rapid, and reliable for metabolic profiling of components in multiple biological samples and could significantly expand our understanding of metabolic situation of TCM in vivo. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Pipelines 'R' us

    International Nuclear Information System (INIS)

    Thomas, P.

    1997-01-01

    The geopolitical background to the export of oil and gas from Kazakhstan by pipeline is explored with particular reference to the sensitivities of the USA. There are now a number of pipeline proposals which would enable Kazakhstan to get its hydrocarbons to world markets. The construction of two of these formed part of a major oil deal signed recently with China in the face of stiff competition from major US companies. The most convenient and cost effective route, connecting up with Iran's existing pipeline network to the Gulf, is unlikely to be developed given continuing US sanctions against Iran. Equally unlikely seems to be the Turkmenistan to Pakistan pipeline in the light of the political volatility of Afghanistan. US companies continue to face limits on export capacity via the existing Russian pipelines from Kazakhstan. A temporary solution could be to carry some oil in the existing pipeline from Azerbaijan to Georgia which has been upgraded and is due to become operational soon, and later in a second proposed pipeline on this route. The Caspian Pipeline Consortium, consisting of three countries and eleven international companies, is building a 1500 km pipeline from the Tergiz field to Novorossiysk on the Black Sea with a view to completion in 2000. An undersea pipeline crossing the Caspian from Azerbaijan is being promoted by Turkey. There is an international perception that within the next five years Kazakhstan could be in a position to export its oil via as many as half a dozen different routes. (UK)

  14. Vibrations in pipelines of nuclear power plants

    International Nuclear Information System (INIS)

    Leal, M.R.L.V.; Bevilacqua, L.

    1984-01-01

    It is presented the main causes of vibrations in nuclear power plants pipelines to allow the identification of critical areas and correct the errors during the specification design. The methods of vibration analysis to give subsidies in the determination of the corrective providences when the problem appears during the commissioning or the generation energy, are also presented. (M.C.K.) [pt

  15. Use of liquid chromatography/electrospray ionization tandem mass spectrometry to study the degradation pathways of terbuthylazine (TER) by Typha latifolia in constructed wetlands: identification of a new TER metabolite.

    Science.gov (United States)

    Gikas, Evagelos; Papadopoulos, Nikolaos G; Bazoti, Fotini N; Zalidis, Georgios; Tsarbopoulos, Anthony

    2012-01-30

    S-Triazines are used worldwide as herbicides for agricultural and non-agricultural purposes. Although terbuthylazine (TER) is the second most frequently used S-triazine, there is limited information on its metabolism. For this reason, an analytical method based on liquid chromatography/electrospray ionization tandem mass spectrometry (LC-ESI MS/MS) has been developed aiming at the identification of TER and its five major metabolites (desisopropyl-hydroxy-atrazine, desethyl-hydroxy-terbuthylazine, desisopropyl-atrazine, hydroxy-terbuthylazine and desethyl-terbuthylazine) in constructed wetland water samples. The separation of TER and its major metabolites was performed by reversed-phase high-performance liquid chromatography (HPLC) on a C(8) column using a gradient elution of aqueous acetic acid 1% (solvent A) and acetonitrile (solvent B), followed by MS/MS analysis on a triple quadrupole mass spectrometer. The data-depended analysis (DDA) scan approach has been employed and the main degradation pathways of both hydroxyl and chloro (dealkylated and alkylated) metabolites are elucidated through the tandem mass spectral (MS/MS) interpretation of triazine fragments under CID conditions. In addition, another major metabolite of TER, namely N2-tert-butyl-N4-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine, has been identified. This methodology can be further employed in biodegradation studies of TER, thus assisting the assessment of its environmental impact. Copyright © 2011 John Wiley & Sons, Ltd.

  16. Identification and characterization of metabolites of ASP015K, a novel oral Janus kinase inhibitor, in rats, chimeric mice with humanized liver, and humans.

    Science.gov (United States)

    Nakada, Naoyuki; Oda, Kazuo

    2015-01-01

    1. Here, we elucidated the structure of metabolites of novel oral Janus kinase inhibitor ASP015K in rats and humans and evaluated the predictability of human metabolites using chimeric mice with humanized liver (PXB mice). 2. Rat biological samples collected after oral dosing of (14)C-labelled ASP015K were examined using a liquid chromatography-radiometric detector and mass spectrometer (LC-RAD/MS). The molecular weight of metabolites in human and the liver chimeric mouse biological samples collected after oral dosing of non-labelled ASP015K was also investigated via LC-MS. Metabolites were also isolated from rat bile samples and analyzed using nuclear magnetic resonance. 3. Metabolic pathways of ASP015K in rats and humans were found to be glucuronide conjugation, methyl conjugation, sulfate conjugation, glutathione conjugation, hydroxylation of the adamantane ring and N-oxidation of the 1H-pyrrolo[2,3-b]pyridine ring. The main metabolite of ASP015K in rats was the glucuronide conjugate, while the main metabolite in humans was the sulfate conjugate. Given that human metabolites were produced by human hepatocytes in chimeric mice with humanized liver, this human model mouse was believed to be useful in predicting the human metabolic profile of various drug candidates.

  17. Identification of metabolites of Helicid in vivo using ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Diao, Xinpeng; Liao, Man; Cheng, Xiaoye; Liang, Caijuan; Sun, Yupeng; Zhang, Xia; Zhang, Lantong

    2018-04-18

    Helicid is an active natural aromatic phenolic glycoside ingredient originating from well-known traditional Chinese herb medicine and has the significant effects of sedative hypnosis, anti-inflammatory analgesia and antidepressant. In this study, we analyzed the potential metabolites of Helicid in rats by multiple mass defect filter (MMDF)and dynamic background subtraction (DBS)in ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS). Moreover, we used a novel data processing method 'key product ions (KPIs)' to rapidly detect and identifymetabolites as an assistant tool. MetabolitePilot TM 2.0 software and PeakView TM 2.2 software were used for analyzing metabolites. Twenty metabolites of Helicid (including 15 phase I metabolites and 5 phase II metabolites) were detected by comparing with the blank samples, respectively. Thebiotransformationroute of Helicid was identified as demethylation, oxidation, dehydroxylation, hydrogenation, decarbonylation,glucuronide conjugation and methylation.This is the first study of simultaneously detecting and identifying Helicid metabolism in rats by employing UHPLC-Q-TOF-MS technology. This experiment not only proposed a method for rapidly detecting and identifying metabolites, but also provided useful information for further study of the pharmacology and mechanism of Helicid in vivo. Furthermore, it provided an effective method for the analysis of other aromatic phenolic glycosides metabolic components in vivo. This article is protected by copyright. All rights reserved.

  18. Decontamination device for pipeline

    International Nuclear Information System (INIS)

    Harashina, Heihachi.

    1994-01-01

    Pipelines to be decontaminated are parts of pipelines contaminated with radioactive materials, and they are connected to a fluid transfer means (for example, a bladeless pump) and a ball collector by way of a connector. The fluid of a mixture of chemical decontaminating liquid and spheres is sent into pipelines to be decontaminated. The spheres are, for example, heat resistant porous hard or soft rubber spheres. The fluid discharged from the pipelines to be decontaminated are circulated by way of bypassing means. The inner surface of the pipelines is decontaminated by the circulation of the fluid. When the bypass means is closed, the fluid discharged from the pipelines to be decontaminated is sent to the ball collector, and the spheres are captured by a hopper. Further, the liquid is sent to the filtrating means to filter the chemical contaminating liquid, and sludges contained in the liquid are captured. (I.N.)

  19. Overview of slurry pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Gandhi, R L

    1982-01-01

    Slurry pipelines have proven to be a technically feasible, environmentally attractive and economic method of transporting finely divided particles over long distances. A pipeline system normally consists of preparation, pipeline and utilization facilities and requires optimization of all three components taken together. A considerable amount of research work has been done to develop hydraulic design of a slurry pipeline. Equipment selection and estimation of corrosion-erosion are considered to be as important as the hydraulic design. Future applications are expected to be for the large-scale transport of coal and for the exploitation of remotely located mineral deposits such as iron ore and copper. Application of slurry pipelines for the exploitation of remotely located mineral deposits is illustrated by the Kudremukh iron concentrate slurry pipeline in India.

  20. Theory and Application of Magnetic Flux Leakage Pipeline Detection.

    Science.gov (United States)

    Shi, Yan; Zhang, Chao; Li, Rui; Cai, Maolin; Jia, Guanwei

    2015-12-10

    Magnetic flux leakage (MFL) detection is one of the most popular methods of pipeline inspection. It is a nondestructive testing technique which uses magnetic sensitive sensors to detect the magnetic leakage field of defects on both the internal and external surfaces of pipelines. This paper introduces the main principles, measurement and processing of MFL data. As the key point of a quantitative analysis of MFL detection, the identification of the leakage magnetic signal is also discussed. In addition, the advantages and disadvantages of different identification methods are analyzed. Then the paper briefly introduces the expert systems used. At the end of this paper, future developments in pipeline MFL detection are predicted.

  1. 75 FR 13342 - Pipeline Safety: Workshop on Distribution Pipeline Construction

    Science.gov (United States)

    2010-03-19

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID... natural gas distribution construction. Natural gas distribution pipelines are subject to a unique subset... distribution pipeline construction practices. This workshop will focus solely on natural gas distribution...

  2. Metabolites of the 1',2'-dimethylheptyl analogue of delta-8-tetrahydrocannabinol in the mouse and their identification by gas chromatography/mass spectrometry.

    Science.gov (United States)

    Harvey, D J; Brown, N K

    1990-10-01

    Metabolism of the 1,2-dimethylheptyl analogue of delta-8-tetrahydrocannabinol (delta-8-DMHP) was studied in vitro using mouse hepatic microsomes and in vivo in mouse liver. Metabolites were extracted with ethyl acetate, concentrated by chromatography on Sephadex LH-20 and examined by low-resolution mass spectrometry as trimethylsilyl (TMS), (2H9)TMS and methyl ester/TMS derivatives. Reduction of metabolites with lithium aluminium deuteride also provided structural information. The electron-impact-induced mass spectrum of the TMS derivative of DMHP differed from that of its unbranched side-chain analogues in that prominent ions were produced by fragmentation of the side-chain at the expense of the retro-Diels-Alder fragmentation that was prominent in the spectra of the latter compounds. This, however, was found to reduce the relative abundance of ions diagnostic of side-chain hydroxy substitution in the spectra of the metabolites. In vitro, the only significant metabolite was 11-hydroxy-delta-8-DMHP. This is in contrast with metabolism of the corresponding delta-8-tetrahydrocannabinol (delta-8-THC, n-C5-side-chain) where a number of other monohydroxy metabolites are produced. Fifteen metabolites were found in vivo, of which nine were identified. Mass spectral information was not sufficient to determine the position of one of the hydroxy groups in the other six metabolites. The major site of hydroxylation was at C-11 and the resulting hydroxy metabolite was oxidized to delta-8-DMHP-11-oic acid. In this respect metabolism paralleled that of delta-8-THC. Dihydroxylation of the double bond also occurred, presumably via the epoxide.(ABSTRACT TRUNCATED AT 250 WORDS)

  3. Identification of rotundic acid metabolites after oral administration to rats and comparison with the biotransformation by Syncephalastrum racemosum AS 3.264.

    Science.gov (United States)

    Li, Hui; Yang, Bao; Cao, Di; Zhou, Lian; Wang, Qing; Rong, Li; Zhou, Xinghong; Jin, Jing; Zhao, Zhongxiang

    2018-02-20

    The objective of this study was to identify the metabolites of rotundic acid after oral administration to rats and compare the similarities with its biotransformation by Syncephalastrum racemosum AS 3.264 using ultra-high performance liquid chromatography coupled with quadrupole time of flight mass spectrometry. A total of fourteen metabolites were determined based on the mass spectrometry and chromatographic behaviors, among which eleven (M1-M3, M7-M14) and six (M2, M4-M8) metabolites were identified in rats and S. racemosum, respectively. Three identical metabolites (M2, M7 and M8) were found in rats and S. racemosum, indicating that there were metabolic similarities. Moreover, to confirm the results of mass spectrometry, three (M2, M4 and M7) metabolites were obtained by the means of amplifying incubation and their structures were determined by various spectroscopic analyses, and M4 was proved to be a previously undescribed compound. This results showed that in vitro assisted preparation by microbial transformation is a feasible and effective method of obtaining metabolites which are in low amounts and difficult to be prepared in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Identification of berberrubine metabolites in rats by using ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Wang, Kun; Qiao, Miao; Chai, Liwei; Cao, Shijie; Feng, Xinchi; Ding, Liqin; Qiu, Feng

    2018-01-01

    Berberrubine, an isoquinoline alkaloid isolated from many medicinal plants, possesses diverse pharmacological activities, including glucose-lowering, lipid-lowering, anti-inflammatory, and anti-tumor effects. This study aimed to investigate the metabolic profile of berberrubine in vivo. Therefore, a rapid and reliable method using the ultra-high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and metabolynx™ software with mass defect filter (MDF) technique was developed. Plasma, bile, urine and feces samples were collected from rats after oral administration of berberrubine with a dose of 30.0mg/kg and analyzed to characterize the metabolites of berberrubine in vivo for the first time. A total of 57 metabolites were identified, including 54 metabolites in urine, 39 metabolites in plasma, 28 metabolites in bile and 18 metabolites in feces. The results indicated that demethylenation, reduction, hydroxylation, demethylation, glucuronidation, and sulfation were the major metabolic pathways of berberrubine in vivo. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Metabolism of albendazole, ricobendazole and flubendazole in Haemonchus contortus adults: Sex differences, resistance-related differences and the identification of new metabolites

    Directory of Open Access Journals (Sweden)

    Lucie Raisová Stuchlíková

    2018-04-01

    Full Text Available Haemonchus contortus (family Trichostrongylidae, Nematoda, a hematophagous gastrointestinal parasite found in small ruminants, has a great ability to develop resistance to anthelmintic drugs. We studied the biotransformation of the three benzimidazole anthelmintics: albendazole (ABZ, ricobendazole (albendazole S-oxide; RCB and flubendazole (FLU in females and males of H. contortus in both a susceptible ISE strain and resistant IRE strain. The ex vivo cultivation of living nematodes in culture medium with or without the anthelmintics was used. Ultrasensitive UHPLC/MS/MS analysis revealed 9, 7 and 12 metabolites of ABZ, RCB and FLU, respectively, with most of these metabolites now described in the present study for the first time in H. contortus. The structure of certain metabolites shows the presence of biotransformation reactions not previously reported in nematodes. There were significant qualitative and semi-quantitative differences in the metabolites formed by male and female worms. In most cases, females metabolized drugs more extensively than males. Adults of the IRE strain were able to form many more metabolites of all the drugs than adults of the ISE strain. Some metabolites were even found only in adults of the IRE strain. These findings suggest that increased drug metabolism may play a role in resistance to benzimidazole drugs in H. contortus. Keywords: Drug resistance, Drug metabolism, Anthelmintics, Benzimidazole, Nematode

  6. SSR_pipeline--computer software for the identification of microsatellite sequences from paired-end Illumina high-throughput DNA sequence data

    Science.gov (United States)

    Miller, Mark P.; Knaus, Brian J.; Mullins, Thomas D.; Haig, Susan M.

    2013-01-01

    SSR_pipeline is a flexible set of programs designed to efficiently identify simple sequence repeats (SSRs; for example, microsatellites) from paired-end high-throughput Illumina DNA sequencing data. The program suite contains three analysis modules along with a fourth control module that can be used to automate analyses of large volumes of data. The modules are used to (1) identify the subset of paired-end sequences that pass quality standards, (2) align paired-end reads into a single composite DNA sequence, and (3) identify sequences that possess microsatellites conforming to user specified parameters. Each of the three separate analysis modules also can be used independently to provide greater flexibility or to work with FASTQ or FASTA files generated from other sequencing platforms (Roche 454, Ion Torrent, etc). All modules are implemented in the Python programming language and can therefore be used from nearly any computer operating system (Linux, Macintosh, Windows). The program suite relies on a compiled Python extension module to perform paired-end alignments. Instructions for compiling the extension from source code are provided in the documentation. Users who do not have Python installed on their computers or who do not have the ability to compile software also may choose to download packaged executable files. These files include all Python scripts, a copy of the compiled extension module, and a minimal installation of Python in a single binary executable. See program documentation for more information.

  7. Pipeline system operability review

    Energy Technology Data Exchange (ETDEWEB)

    Eriksson, Kjell [Det Norske Veritas (Norway); Davies, Ray [CC Technologies, Dublin, OH (United States)

    2005-07-01

    Pipeline operators are continuously working to improve the safety of their systems and operations. In the US both liquid and gas pipeline operators have worked with the regulators over many years to develop more systematic approaches to pipeline integrity management. To successfully manage pipeline integrity, vast amounts of data from different sources needs to be collected, overlaid and analyzed in order to assess the current condition and predict future degradation. The efforts undertaken by the operators has had a significant impact on pipeline safety, nevertheless, during recent years we have seen a number of major high profile accidents. One can therefore ask how effective the pipeline integrity management systems and processes are. This paper will present one methodology 'The Pipeline System Operability Review' that can evaluate and rate the effectiveness of both the management systems and procedures, as well as the technical condition of the hardware. The result from the review can be used to compare the performance of different pipelines within one operating company, as well as benchmark with international best practices. (author)

  8. Pipeline system operability review

    Energy Technology Data Exchange (ETDEWEB)

    Eriksson, Kjell [Det Norske Veritas (Norway); Davies, Ray [CC Technologies, Dublin, OH (United States)

    2005-07-01

    Pipeline operators are continuously working to improve the safety of their systems and operations. In the US both liquid and gas pipeline operators have worked with the regulators over many years to develop more systematic approaches to pipeline integrity management. To successfully manage pipeline integrity, vast amounts of data from different sources needs to be collected, overlaid and analyzed in order to assess the current condition and predict future degradation. The efforts undertaken by the operators has had a significant impact on pipeline safety, nevertheless, during recent years we have seen a number of major high profile accidents. One can therefore ask how effective the pipeline integrity management systems and processes are. This paper will present one methodology 'The Pipeline System Operability Review' that can evaluate and rate the effectiveness of both the management systems and procedures, as well as the technical condition of the hardware. The result from the review can be used to compare the performance of different pipelines within one operating company, as well as benchmark with international best practices. (author)

  9. Slurry pipeline design approach

    Energy Technology Data Exchange (ETDEWEB)

    Betinol, Roy; Navarro R, Luis [Brass Chile S.A., Santiago (Chile)

    2009-12-19

    Compared to other engineering technologies, the design of a commercial long distance Slurry Pipeline design is a relatively new engineering concept which gained more recognition in the mid 1960 's. Slurry pipeline was first introduced to reduce cost in transporting coal to power generating units. Since then this technology has caught-up worldwide to transport other minerals such as limestone, copper, zinc and iron. In South America, the use of pipeline is commonly practiced in the transport of Copper (Chile, Peru and Argentina), Iron (Chile and Brazil), Zinc (Peru) and Bauxite (Brazil). As more mining operations expand and new mine facilities are opened, the design of the long distance slurry pipeline will continuously present a commercially viable option. The intent of this paper is to present the design process and discuss any new techniques and approach used today to ensure a better, safer and economical slurry pipeline. (author)

  10. Morphine metabolites

    DEFF Research Database (Denmark)

    Christrup, Lona Louring

    1997-01-01

    , morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) are the major metabolites of morphine. The metabolism of morphine occurs not only in the liver, but may also take place in the brain and the kidneys. The glucuronides are mainly eliminated via bile and urine. Glucuronides as a rule...... are considered as highly polar metabolites unable to cross the blood-brain barrier. Although morphine glucuronidation has been demonstrated in human brain tissue, the capacity is very low compared to that of the liver, indicating that the M3G and M6G concentrations observed in the cerebrospinal fluid (CSF) after...... systemic administration reflect hepatic metabolism of morphine and that the morphine glucuronides, despite their high polarity, can penetrate into the brain. Like morphine, M6G has been shown to be relatively more selective for mu-receptors than for delta- and kappa-receptors while M3G does not appear...

  11. 78 FR 70623 - Pipeline Safety: Meeting of the Gas Pipeline Advisory Committee and the Liquid Pipeline Advisory...

    Science.gov (United States)

    2013-11-26

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2009-0203] Pipeline Safety: Meeting of the Gas Pipeline Advisory Committee and the Liquid Pipeline Advisory Committee AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT. [[Page...

  12. Identification of hepatic metabolites of two highly carcinogenic polycyclic aza-aromatic compounds, 7,9-dimethylbenz[c]acridine and 7,10-dimethylbenz[c]acridine.

    Science.gov (United States)

    Ye, Y; Duke, C C; Holder, G M

    1995-03-01

    The hepatic microsomal metabolites of the highly carcinogenic dimethylbenzacridines, 7,9-dimethylbenz[c]acridine (7,9-DMBAC), and 7,10-dimethylbenz[c]acridine (7,10-DMBAC) were obtained with preparations from 3-methylcholanthrene-pretreated rats. Metabolites were separated by reversed-phase HPLC and characterized using UV spectral data and chemical ionization-mass spectrometry after trimethylsilylation and GC. Comparisons with products formed in the presence of the epoxide hydrolase inhibitor, 1,1,1-trichloropropane 2,3-oxide and with those formed from the three synthetic alcohol derivatives of each parent compound, aided the assignment of firm or tentative structures to 16 products from 7,9-DMBAC found in 22 reversed-phase chromatographic peaks, and for 17 products of 7,10-DMBAC found in 19 chromatographic peaks. The more abundant metabolites were derived from oxidation of the methyl groups. Other metabolites were dihydrodiols, epoxides, phenols and secondary metabolites. The 9-methyl group prevented dihydrodiol formation at the 8,9-position from 7,9-DMBAC, and for each carcinogen, the 3,4-dihydrodiol was formed. As well, 3,4-dihydrodiols of methyl oxidized compounds were found.

  13. Profiling and identification of (-)-epicatechin metabolites in rats using ultra-high performance liquid chromatography coupled with linear trap-Orbitrap mass spectrometer.

    Science.gov (United States)

    Shang, Zhanpeng; Wang, Fei; Dai, Shengyun; Lu, Jianqiu; Wu, Xiaodan; Zhang, Jiayu

    2017-08-01

    (-)-Epicatechin (EC), an optical antipode of (+)-catechin (C), possesses many potential significant health benefits. However, the in vivo metabolic pathway of EC has not been clarified yet. In this study, an efficient strategy based on ultra-high performance liquid chromatography coupled with a linear ion trap-Orbitrap mass spectrometer was developed to profile and characterize EC metabolites in rat urine, faeces, plasma, and various tissues. Meanwhile, post-acquisition data-mining methods including high-resolution extracted ion chromatogram (HREIC), multiple mass defect filters (MMDFs), and diagnostic product ions (DPIs) were utilized to screen and identify EC metabolites from HR-ESI-MS 1 to ESI-MS n stage. Finally, a total of 67 metabolites (including parent drug) were tentatively identified based on standard substances, chromatographic retention times, accurate mass measurement, and relevant drug biotransformation knowledge. The results demonstrated that EC underwent multiple in vivo metabolic reactions including methylation, dehydration, hydrogenation, glucosylation, sulfonation, glucuronidation, ring-cleavage, and their composite reactions. Among them, methylation, dehydration, glucosylation, and their composite reactions were observed only occurring on EC when compared with C. Meanwhile, the distribution of these detected metabolites in various tissues including heart, liver, spleen, lung, kidney, and brain were respectively studied. The results demonstrated that liver and kidney were the most important organs for EC and its metabolites elimination. In conclusion, the newly discovered EC metabolites significantly expanded the understanding on its pharmacological effects and built the foundation for further toxicity and safety studies. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

  14. Identification of metabolites in human and rat urine after oral administration of Xiao-Qing-Long-Tang granule using ultra high performance liquid chromatography combined with quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Zhou, Lei; Zhang, Qiang; Qi, Wen; Yan, Shuai; Qu, Jialin; Makino, Toshiaki; Yuan, Dan

    2017-09-01

    Xiao-Qing-Long-Tang is a traditional Chinese formula used for the treatment of cold syndrome, bronchitis, and nasal allergies for thousands of years. However, the in vivo integrated metabolism of its multiple components and the active chemical constituents of Xiao-Qing-Long-Tang remain unknown. In this study, a method using ultra high performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry was established for the detection and identification of the metabolites in human and rat urine after oral administration of Xiao-Qing-Long-Tang. A total of 19 compounds were detected or tentatively identified in human urine samples, including eight prototypes and 11 metabolites. Also, a total of 50 compounds were detected or tentatively identified in rat urine samples, including 15 prototypes and 35 metabolites detected with either a highly sensitive extracted ion chromatogram method or the MS E determination using Mass Fragment software. Our results indicated that phase Ⅱ reactions (e.g. glucuronidation and sulfation) were the main metabolic pathways of flavones, while phase I reactions (e.g. demethylation and hydroxylation) were the major metabolic reaction for alkaloids, lignans, and ginger essential oil. This investigation provided important structural information on the metabolism of Xiao-Qing-Long-Tang and provided evidence to obtain a more comprehensive metabolic profile. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. 76 FR 53086 - Pipeline Safety: Safety of Gas Transmission Pipelines

    Science.gov (United States)

    2011-08-25

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part 192 [Docket No. PHMSA-2011-0023] RIN 2137-AE72 Pipeline Safety: Safety of Gas Transmission Pipelines AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), Department of Transportation (DOT...

  16. 76 FR 70953 - Pipeline Safety: Safety of Gas Transmission Pipelines

    Science.gov (United States)

    2011-11-16

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part 192 [Docket ID PHMSA-2011-0023] RIN 2137-AE72 Pipeline Safety: Safety of Gas Transmission Pipelines AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA); DOT. ACTION: Advance notice of...

  17. Pipeline Drag Reducers

    International Nuclear Information System (INIS)

    Marawan, H.

    2004-01-01

    Pipeline drag reducers have proven to be an extremely powerful tool in fluid transportation. High molecular weight polymers are used to reduce the frictional pressure loss ratio in crude oil pipelines, refined fuel and aqueous pipelines. Chemical structure of the main used pipeline drag reducers is one of the following polymers and copolymers classified according to the type of fluid to ; low density polyethylene, copolymer of I-hexane cross linked with divinyl benzene, polyacrylamide, polyalkylene oxide polymers and their copolymers, fluorocarbons, polyalkyl methacrylates and terpolymer of styrene, alkyl acrylate and acrylic acid. Drag reduction is the increase in pump ability of a fluid caused by the addition of small amounts of an additive to the fluid. The effectiveness of a drag reducer is normally expressed in terms of percent drag reduction. Frictional pressure loss in a pipeline system is a waste of energy and it costly. The drag reducing additive minimizes the flow turbulence, increases throughput and reduces the energy costs. The Flow can be increased by more than 80 % with existing assets. The effectiveness of the injected drag reducer in Mostorod to Tanta crude oil pipeline achieved 35.4 % drag reduction and 23.2 % flow increase of the actual performance The experimental application of DRA on Arab Petroleum Pipeline Company (Summed) achieved a flow increase ranging from 9-32 %

  18. Pollution from pipelines

    International Nuclear Information System (INIS)

    1991-01-01

    During the 1980s, over 3,900 spills from land-based pipelines released nearly 20 million gallons of oil into U.S. waters-almost twice as much as was released by the March 1989 Exxon Valdez oil spill. Although the Department of Transportation is responsible for preventing water pollution from petroleum pipelines, GAO found that it has not established a program to prevent such pollution. DOT has instead delegated this responsibility to the Coast Guard, which has a program to stop water pollution from ships, but not from pipelines. This paper reports that, in the absence of any federal program to prevent water pollution from pipelines, both the Coast Guard and the Environmental Protection Agency have taken steps to plan for and respond to oil spills, including those from pipelines, as required by the Clean Water Act. The Coast Guard cannot, however, adequately plan for or ensure a timely response to pipeline spills because it generally is unaware of specific locations and operators of pipelines

  19. High temperature pipeline design

    Energy Technology Data Exchange (ETDEWEB)

    Greenslade, J.G. [Colt Engineering, Calgary, AB (Canada). Pipelines Dept.; Nixon, J.F. [Nixon Geotech Ltd., Calgary, AB (Canada); Dyck, D.W. [Stress Tech Engineering Inc., Calgary, AB (Canada)

    2004-07-01

    It is impractical to transport bitumen and heavy oil by pipelines at ambient temperature unless diluents are added to reduce the viscosity. A diluted bitumen pipeline is commonly referred to as a dilbit pipeline. The diluent routinely used is natural gas condensate. Since natural gas condensate is limited in supply, it must be recovered and reused at high cost. This paper presented an alternative to the use of diluent to reduce the viscosity of heavy oil or bitumen. The following two basic design issues for a hot bitumen (hotbit) pipeline were presented: (1) modelling the restart problem, and, (2) establishing the maximum practical operating temperature. The transient behaviour during restart of a high temperature pipeline carrying viscous fluids was modelled using the concept of flow capacity. Although the design conditions were hypothetical, they could be encountered in the Athabasca oilsands. It was shown that environmental disturbances occur when the fluid is cooled during shut down because the ground temperature near the pipeline rises. This can change growing conditions, even near deeply buried insulated pipelines. Axial thermal loads also constrain the design and operation of a buried pipeline as higher operating temperatures are considered. As such, strain based design provides the opportunity to design for higher operating temperature than allowable stress based design methods. Expansion loops can partially relieve the thermal stress at a given temperature. As the design temperature increase, there is a point at which above grade pipelines become attractive options, although the materials and welding procedures must be suitable for low temperature service. 3 refs., 1 tab., 10 figs.

  20. Trouble in the pipeline?

    Energy Technology Data Exchange (ETDEWEB)

    Snieckus, Darius

    2002-10-01

    The author provides a commentary on the political, economic, environmental and social problems facing the proposed 3 billion US dollars Baku-Ceyhan-Tbilisi export pipeline. The 1760 km long pipeline has been designed to carry 1 million b/d of crude oil from the Caspian Sea to Turkey's Mediterranean coast. The pipeline is being constructed by a BP-led consortium made up of Socar, Statoil, Unocal, TPAO, Eni, Itochu, Amerada Hess, TotalFinaElf and BP. (UK)

  1. Metabolism of Genipin in Rat and Identification of Metabolites by Using Ultraperformance Liquid Chromatography/Quadrupole Time-of-Flight Tandem Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Yue Ding

    2013-01-01

    Full Text Available The in vivo and in vitro metabolism of genipin was systematically investigated in the present study. Urine, plasma, feces, and bile were collected from rats after oral administration of genipin at a dose of 50 mg/kg body weight. A rapid and sensitive method using ultraperformance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC-Q/TOF MS was developed for analysis of metabolic profile of genipin in rat biological samples (urine, plasma, feces, and bile. A total of ten metabolites were detected and identified by comparing their fragmentation patterns with that of genipin using MetaboLynx software tools. On the basis of the chromatographic peak area, the sulfated and glucuronidated conjugates of genipin were identified as major metabolites. And the existence of major metabolites G1 and G2 was confirmed by the in vitro enzymatic study further. Then, metabolite G1 was isolated from rat bile by semipreparative HPLC. Its structure was unambiguously identified as genipin-1-o-glucuronic acid by comparison of its UV, IR, ESI-MS, 1H-NMR, and 13C-NMR spectra with conference. In general, genipin was a very active compound that would transform immediately, and the parent form of genipin could not be observed in rats biological samples. The biotransformation pathways of genipin involved demethylated, ring-opened, cysteine-conjugated, hydroformylated, glucuronidated, and sulfated transformations.

  2. UFLC-Q-TOF-MS/MS-Based Screening and Identification of Flavonoids and Derived Metabolites in Human Urine after Oral Administration of Exocarpium Citri Grandis Extract

    Directory of Open Access Journals (Sweden)

    Xuan Zeng

    2018-04-01

    Full Text Available Exocarpium Citri grandis (ECG is an important Traditional Chinese Medicine (TCM for the treatment of cough and phlegm, and the flavonoids contained were considered the main effective components. To date, the systematic chemical profiling of these flavonoids and derived in vivo metabolites in human have not been well investigated. ECG was extracted using boiling water and then provided to volunteers for oral administration. Following the ingestion, urine samples were collected from volunteers over 48 h. The extract and urine samples were analyzed using ultra-fast liquid chromatography/quadrupole-time-of-flight tandem mass spectrometry (UFLC-Q-TOF-MS/MS system to screen and identify flavonoids and derived in vivo metabolites. A total of 18 flavonoids were identified in the ECG extract, and 20 metabolites, mainly glucuronide and sulfate conjugates, were screened in urine samples collected post consumption. The overall excretion of naringenin metabolites corresponded to 5.45% of intake and occurred mainly within 4–12 h after the ingestion. Meanwhile, another 29 phenolic catabolites were detected in urine. Obtained data revealed that flavonoids were abundant in the ECG extract, and these components underwent extensive phase II metabolism in humans. These results provided valuable information for further study of the pharmacology and mechanism of action of ECG.

  3. Isolation of endosulfan sulfate-degrading Rhodococcus koreensis strain S1-1 from endosulfan contaminated soil and identification of a novel metabolite, endosulfan diol monosulfate

    Energy Technology Data Exchange (ETDEWEB)

    Ito, Koji; Kawashima, Fujimasa [Department of Applied Biology and Chemistry, Tokyo University of Agriculture, 1-1-1 Sakuragaoka, Setagaya-ku, Tokyo, 156-8502 (Japan); Organochemicals Division, National Institute for Agro-Environmental Sciences, 3-1-3 Kannondai, Tsukuba, Ibaraki, 305-8604 (Japan); Takagi, Kazuhiro, E-mail: ktakagi@affrc.go.jp [Department of Applied Biology and Chemistry, Tokyo University of Agriculture, 1-1-1 Sakuragaoka, Setagaya-ku, Tokyo, 156-8502 (Japan); Organochemicals Division, National Institute for Agro-Environmental Sciences, 3-1-3 Kannondai, Tsukuba, Ibaraki, 305-8604 (Japan); Kataoka, Ryota [Department of Environmental Science, University of Yamanashi, 41-4-37 Takeda, Kofu, Yamanashi (Japan); Kotake, Masaaki [Graduate School of Agricultural Science, Tohoku University, Aoba-ku, Sendai 981-8555 (Japan); Kiyota, Hiromasa [Graduate School of Environmental & Life Science, Okayama University, 1-1-1 Tsushima-naka, Kita-ku, Okayama 700-8530 (Japan); Yamazaki, Kenichi [Organochemicals Division, National Institute for Agro-Environmental Sciences, 3-1-3 Kannondai, Tsukuba, Ibaraki, 305-8604 (Japan); Sakakibara, Futa [Organochemicals Division, National Institute for Agro-Environmental Sciences, 3-1-3 Kannondai, Tsukuba, Ibaraki, 305-8604 (Japan); The Japan Society for the Promotion of Science(JSPS), 1-8 Chiyoda-ku, Tokyo (Japan); Okada, Sanae [Department of Applied Biology and Chemistry, Tokyo University of Agriculture, 1-1-1 Sakuragaoka, Setagaya-ku, Tokyo, 156-8502 (Japan)

    2016-05-13

    An aerobic endosulfan sulfate-degrading bacterium, Rhodococcus koreensis strain S1-1, was isolated from soil to which endosulfan had been applied annually for more than 10 years until 2008. The strain isolated in this work reduced the concentration of endosulfan sulfate (2) from 12.25 μM to 2.11 μM during 14 d at 30 °C. Using ultra performance liquid chromatography-electrospray ionization-mass spectroscopy (UPLC-ESI-MS), a new highly water-soluble metabolite possessing six chlorine atoms was found to be endosulfan diol monosulfate (6), derived from 2 by hydrolysis of the cyclic sulfate ester ring. The structure of 6 was elucidated by chemical synthesis of the candidate derivatives and by HR-MS and UPLC-MS analyses. Therefore, it was suggested that the strain S1-1 has a new metabolic pathway of 2. In addition, 6 was expected to be less toxic among the metabolites of 1 because of its higher water-solubility. -- Highlights: •A novel endosulfan sulfate-degrading bacterium was isolated and named strain S1-1. •Strain S1-1 degraded endosulfan sulfate into a novel metabolite endosulfan diol monosulfate. •Endosulfan diol monosulfate showed higher polarity than other known metabolites of endosulfan. •We proposed the plausible metabolic pathway of endosulfan in terms of organic chemistry.

  4. Isolation of endosulfan sulfate-degrading Rhodococcus koreensis strain S1-1 from endosulfan contaminated soil and identification of a novel metabolite, endosulfan diol monosulfate

    International Nuclear Information System (INIS)

    Ito, Koji; Kawashima, Fujimasa; Takagi, Kazuhiro; Kataoka, Ryota; Kotake, Masaaki; Kiyota, Hiromasa; Yamazaki, Kenichi; Sakakibara, Futa; Okada, Sanae

    2016-01-01

    An aerobic endosulfan sulfate-degrading bacterium, Rhodococcus koreensis strain S1-1, was isolated from soil to which endosulfan had been applied annually for more than 10 years until 2008. The strain isolated in this work reduced the concentration of endosulfan sulfate (2) from 12.25 μM to 2.11 μM during 14 d at 30 °C. Using ultra performance liquid chromatography-electrospray ionization-mass spectroscopy (UPLC-ESI-MS), a new highly water-soluble metabolite possessing six chlorine atoms was found to be endosulfan diol monosulfate (6), derived from 2 by hydrolysis of the cyclic sulfate ester ring. The structure of 6 was elucidated by chemical synthesis of the candidate derivatives and by HR-MS and UPLC-MS analyses. Therefore, it was suggested that the strain S1-1 has a new metabolic pathway of 2. In addition, 6 was expected to be less toxic among the metabolites of 1 because of its higher water-solubility. -- Highlights: •A novel endosulfan sulfate-degrading bacterium was isolated and named strain S1-1. •Strain S1-1 degraded endosulfan sulfate into a novel metabolite endosulfan diol monosulfate. •Endosulfan diol monosulfate showed higher polarity than other known metabolites of endosulfan. •We proposed the plausible metabolic pathway of endosulfan in terms of organic chemistry.

  5. SPE-NMR metabolite sub-profiling of urine

    NARCIS (Netherlands)

    Jacobs, D.M.; Spiesser, L.; Garnier, M.; Roo, de N.; Dorsten, van F.; Hollebrands, B.; Velzen, van E.; Draijer, R.; Duynhoven, van J.P.M.

    2012-01-01

    NMR-based metabolite profiling of urine is a fast and reproducible method for detection of numerous metabolites with diverse chemical properties. However, signal overlap in the (1)H NMR profiles of human urine may hamper quantification and identification of metabolites. Therefore, a new method has

  6. Chechnya: the pipeline front

    Energy Technology Data Exchange (ETDEWEB)

    Anon,

    1999-11-01

    This article examines the impact of the Russian campaign against Chechnya on projects for oil and gas pipelines from the new Caspian republics, which are seeking financial support. Topics discussed include the pipeline transport of oil from Azerbaijan through Chechnya to the Black Sea, the use of oil money to finance the war, the push for non-Russian export routes, the financing of pipelines, the impact of the war on the supply of Russian and Turkmenistan gas to Turkey, the proposed construction of the Trans Caspian pipeline, the weakening of trust between Russia and its neighbours, and the potential for trans Caucasus republics to look to western backers due to the instability of the North Caucasus. (UK)

  7. National Pipeline Mapping System

    Data.gov (United States)

    Department of Transportation — The NPMS Public Map Viewer allows the general public to view maps of transmission pipelines, LNG plants, and breakout tanks in one selected county. Distribution and...

  8. The Winfrith effluent pipeline

    International Nuclear Information System (INIS)

    Palmer, G.H.

    1959-11-01

    The paper describes the preparatory work leading up to the design of the Winfrith pipeline. Details of the existing system are given and some information on the predicted safe levels of radio-active discharge. (author)

  9. Pipelines in power plants

    International Nuclear Information System (INIS)

    Oude-Hengel, H.H.

    1978-01-01

    Since the end of the Sixties, steam-transporting pipelines are given great attention, as pipeline components often fail, partially even long before their designed operation time is over. Thus, experts must increasingly deal with questions of pipelines and their components. Design and calculation, production and operation of pipelines are included in the discussion. Within the frame of this discussion, planners, producers, operators, and technical surveillance personnel must be able to offer a homogenous 'plan for assuring the quality of pipelines' in fossil and nuclear power plants. This book tries to make a contribution to this topic. 'Quality assuring' means efforts made for meeting the demands of quality (reliability). The book does not intend to complete with well-known manuals, as for as a complete covering of the topic is concerned. A substantial part of its sections serves to show how quality assurance of pipelines can be at least partially obtained by surveillance measures beginning with the planning, covering the production, and finally accompanying the operation. There is hardly need to mention that the sort of planning, production, and operation has an important influence on the quality. This is why another part of the sections contain process aspects from the view of the planners, producers, and operators. (orig.) [de

  10. Pipelines to eastern Canada

    International Nuclear Information System (INIS)

    Otsason, J.

    1998-01-01

    This presentation focused on four main topics: (1) the existing path of pipelines to eastern Canada, (2) the Chicago hub, (3) transport alternatives, and (4) the Vector Pipeline' expansion plans. In the eastern Canadian market, TransCanada Pipelines dominates 96 per cent of the market share and is effectively immune to expansion costs. Issues regarding the attractiveness of the Chicago hub were addressed. One attractive feature is that the Chicago hub has access to multiple supply basins including western Canada, the Gulf Coast, the mid-continent, and the Rockies. Regarding Vector Pipelines' future plans, the company proposes to construct 343 miles of pipeline from Joliet, Illinois to Dawn, Ontario. Project description included discussion of some of the perceived advantages of this route, namely, extensive storage in Michigan and south-western Ontario, the fact that the proposed pipeline traverses major markets which would mitigate excess capacity concerns, arbitrage opportunities, cost effective expansion capability reducing tolls, and likely lower landed costs in Ontario. Project schedule, costs, rates and tariffs are also discussed. tabs., figs

  11. Software for pipeline integrity administration

    Energy Technology Data Exchange (ETDEWEB)

    Soula, Gerardo; Perona, Lucas Fernandez [Gie SA., Buenos Aires (Argentina); Martinich, Carlos [Refinaria do Norte S. A. (REFINOR), Tartagal, Provincia de Salta (Argentina)

    2009-07-01

    A Software for 'pipeline integrity management' was developed. It allows to deal with Geographical Information and a PODS database (Pipeline Open database Standard) simultaneously, in a simple and reliable way. The premises for the design were the following: didactic, geo referenced, multiple reference systems. Program skills: 1.PODS+GIS: the PODS database in which the software is based on is completely integrated with the GIS module. 2 Management of different kinds of information: it allows to manage information on facilities, repairs, interventions, physical inspections, geographical characteristics, compliance with regulations, training, offline events, operation measures, O and M information treatment and importing specific data and studies in a massive way. It also assures the integrity of the loaded information. 3 Right of way survey: it allows to verify the class location, ROW occupation, sensitive areas identification and to manage landowners. 4 Risk analysis: it is done in a qualitative way, depending on the entered data, allowing the user to identify the riskiest stretches of the system. Either results from risk analysis, data and consultations made about the database, can be exported to standard formats. (author)

  12. Quantitative analysis of volatile metabolites released in vitro by bacteria of the genus Stenotrophomonas for identification of breath biomarkers of respiratory infection in cystic fibrosis

    Czech Academy of Sciences Publication Activity Database

    Shestivska, Violetta; Dryahina, Kseniya; Nunvář, J.; Sovová, Kristýna; Elhottová, Dana; Nemec, A.; Smith, D.; Španěl, Patrik

    2015-01-01

    Roč. 9, č. 2 (2015), č. článku 027104. ISSN 1752-7155 R&D Projects: GA ČR(CZ) GA14-14534S; GA ČR(CZ) GP14-15771P Institutional support: RVO:61388955 ; RVO:60077344 Keywords : volatile metabolites * stenotrophomonas * cystic fibrosis Subject RIV: CF - Physical ; Theoretical Chemistry; EE - Microbiology, Virology (BC-A) Impact factor: 4.177, year: 2015

  13. Hydrolysis is the dominating in vivo metabolism pathway for arctigenin: identification of novel metabolites of arctigenin by LC/MS/MS after oral administration in rats.

    Science.gov (United States)

    Gao, Qiong; Zhang, Yufeng; Wo, Siukwan; Zuo, Zhong

    2013-04-01

    The phenylpropanoid dibenzylbutyrolactone lignan arctigenin, a key component found in Arctium lappa, or burdock, has been reported with a variety of therapeutic effects including anticancer, anti-inflammation, and antivirus effects. Using LC/MS/MS, three novel metabolites of arctigenin, namely, arctigenic acid, arctigenin-4-O'-glucuronide, and 4-O-demethylarctigenin were identified after oral administration of arctigenin in rats for the first time. Another potential metabolite of arctigenin, arctigenin-4'-O-sulfate, was identified in vitro but not in vivo. Structure of arctigenic acid, the major metabolite of arctigenin, was confirmed by 13C-NMR and 1H-NMR. Rapid hydrolysis in plasma was identified as the major metabolic pathway of arctigenin after its oral administration, with Vmax, Km, and Clint in rat plasma determined to be 2.21 ± 0.12 nmol/min/mg, 89.12 ± 9.44 µM, and 24.74 µL/min/mg, respectively. Paraoxonase 1 was further confirmed to be the enzyme responsible for arctigenin hydrolysis, with Vmax, Km, and Clint determined to be 55.39 ± 1.49 nmol/min/mg, 300.3 ± 10.86 µM, and 184.45 µL/min/mg, respectively. Georg Thieme Verlag KG Stuttgart · New York.

  14. Identification of metabolites of vindoline in rats using ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Zhang, Yuqian; Sun, Yupeng; Mu, Xiyan; Yuan, Lin; Wang, Qiao; Zhang, Lantong

    2017-08-15

    Vindoline (VDL) is an indole alkaloid, possessing hypoglycemic and vasodilator effects, and it is also the prodrug of many vinca alkaloids. In this paper, we analyzed in vivo (including plasma, urine, bile and faeces) and in vitro metabolic profile of VDL in rat with ultra-high performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS). The chromatographic separation was performed on a C 18 column with a mobile phase consisted of 3mM ammonium acetate buffer and acetonitrile at a flow rate of 300μL/min. The mass spectral analysis was conducted in a positive electrospray ionization mode, and on-line data acquisition method multiple mass defect filter (MMDF) combined with dynamic background subtraction (DBS) were used in the biological samples analysis to trace all the potential metabolites of VDL. Twenty-five metabolites of VDL were detected by comparing with the blank sample, of which there were 2 sulfate conjugates. These data suggested that the biotransformation of VDL was deacetylation, oxidation, deoxidization, methylation, dealkylation and sulfate conjugation. This study provides useful information for further study of the pharmacology and mechanism of VDL, meanwhile, the research method can be widely applied to speculate structural features of the metabolites of other vinca alkaloids. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Dissipation, half-lives, and mass spectrometric identification of chlorpyrifos and its two metabolites on field-grown collard and kale.

    Science.gov (United States)

    Antonious, George F; Turley, Eric T; Abubakari, Mutari; Snyder, John C

    2017-04-03

    The persistence and fate of chlorpyrifos and its two metabolites, chlorpyrifos-oxon and the 3, 5, 6-trichloro-2-pyridinol (TCP) break-down product were investigated on kale and collard leaves under field conditions. A simultaneous extraction and quantification procedure was developed for chrorpyrifos and its two main metabolites. Residues of chlorpyrifos, chlorpyrifos oxon, and TCP were determined using a gas chromatograph (GC) equipped with an electron capture detector (GC/ECD). Chlorpyrifos metabolites were detectable up to 23 days following application. Residues were confirmed using a GC equipped with a mass selective detector (GC/MSD) in total ion mode. Initial residues of chlorpyrifos were greater on collard (14.5 µg g -1 ) than kale (8.2 µg g -1 ) corresponding to half-lives (T 1/2 ) values of 7.4 and 2.2 days, respectively. TCP, the hydrolysis product, was more persistent on collards with an estimated T 1/2 of 6.5 days compared to kale (T 1/2 of 1.9 days).

  16. Metabolism of N-methylformamide in mice: primary kinetic deuterium isotope effect and identification of S-(N-methylcarbamoyl)glutathione as a metabolite

    International Nuclear Information System (INIS)

    Threadgill, M.D.; Axworthy, D.B.; Baillie, T.A.; Farmer, P.B.; Farrow, K.C.; Gescher, A.; Kestell, P.; Pearson, P.G.; Shaw, A.J.

    1987-01-01

    S-(N-Methylcarbamoyl)glutathione has been identified by cesium ion liquid secondary ion mass spectrometry as a biliary metabolite in mice of the experimental antitumor agent and hepatotoxin N-methylformamide. Metabolism of N-methylformamide to urinary methylamine, urinary N-acetyl-S-(N-methylcarbamoyl)-cysteine and biliary S-(N-methylcarbamoyl)glutathione was found to be subject to large intermolecular primary kinetic isotope effects when hydrogen was replaced by deuterium in the formyl group (kH/kD = 5.5 +/- 0.2, 4.5 +/- 1.0 and 7 +/- 2, respectively), as shown by mass spectrometry of derivatives of these metabolites. These values indicate the existence of a common metabolic precursor for each of these metabolites. In particular, methylamine is shown not to arise from simple enzymatic hydrolysis of N-methylformamide but is associated with an oxidative process. Therefore, it is highly likely that N-methylformamide is oxidized and conjugated to form S-(N-methylcarbamoyl)glutathione which is metabolized further to N-acetyl-S-(N-methylcarbamoyl) cysteine. Either of these thiocarbamates could be hydrolyzed to give the parent thiol and the observed metabolic end products, methylamine and carbon dioxide. The presence of deuterium in the formyl moiety of N-methylformamide reduced markedly the hepatotoxicity of the compound, as shown by measurements of the activities of appropriate hepatic enzymes in plasma

  17. Security of pipeline facilities

    Energy Technology Data Exchange (ETDEWEB)

    Lee, S.C. [Alberta Energy and Utilities Board, Calgary, AB (Canada); Van Egmond, C.; Duquette, L. [National Energy Board, Calgary, AB (Canada); Revie, W. [Canada Centre for Mineral and Energy Technology, Ottawa, ON (Canada)

    2005-07-01

    This working group provided an update on provincial, federal and industry directions regarding the security of pipeline facilities. The decision to include security issues in the NEB Act was discussed as well as the Pipeline Security Management Assessment Project, which was created to establish a better understanding of existing security management programs as well as to assist the NEB in the development and implementation of security management regulations and initiatives. Amendments to the NEB were also discussed. Areas of pipeline security management assessment include physical safety management; cyber and information security management; and personnel security. Security management regulations were discussed, as well as implementation policies. Details of the Enbridge Liquids Pipelines Security Plan were examined. It was noted that the plan incorporates flexibility for operations and is integrated with Emergency Response and Crisis Management. Asset characterization and vulnerability assessments were discussed, as well as security and terrorist threats. It was noted that corporate security threat assessment and auditing are based on threat information from the United States intelligence community. It was concluded that the oil and gas industry is a leader in security in North America. The Trans Alaska Pipeline Incident was discussed as a reminder of how costly accidents can be. Issues of concern for the future included geographic and climate issues. It was concluded that limited resources are an ongoing concern, and that the regulatory environment is becoming increasingly prescriptive. Other concerns included the threat of not taking international terrorism seriously, and open media reporting of vulnerability of critical assets, including maps. tabs., figs.

  18. LNG transport through pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Pfund, P; Philipps, A

    1975-01-01

    LNG pipelines could help solve some peakshaving problems if operated in conjunction with other facilities that could use the LNG cold recovered during regasification. In some areas at present, LNG is delivered by tanker and regasified near the terminal for transmission through conventional gas pipelines. In other places, utilities liquefy natural gas for easy storage for later peakshaving use. The only chance to avoid the second expensive liquefaction step would be to convey imported LNG through a suitable designed LNG pipeline. The technical problems involved in LNG pipeline construction have basically been solved in recent years, but those pipelines actually constructed have been only short ones. To be economically justified, long-distance LNG lines require additional credit, which could be obtained by selling the LNG cold recovered during regasification to industrial users located in or near the points of gas consumption. Technical details presented cover the pipe material, stress relief, steel composition, pressure enthalpy, bellows-type expansion joints, and mechanical and thermal insulation.

  19. Water level detection pipeline

    International Nuclear Information System (INIS)

    Koshikawa, Yukinobu; Imanishi, Masatoshi; Niizato, Masaru; Takagi, Masahiro

    1998-01-01

    In the present invention, water levels of a feedwater heater and a drain tank in a nuclear power plant are detected at high accuracy. Detection pipeline headers connected to the upper and lower portions of a feedwater heater or a drain tank are connected with each other. The connection line is branched at appropriate two positions and an upper detection pipeline and a lower detection pipeline are connected thereto, and a gauge entrance valve is disposed to each of the detection pipelines. A diaphragm of a pressure difference generator is connected to a flange formed to the end portion. When detecting the change of water level in the feedwater heater or the drain tank as a change of pressure difference, gauge entrance valves on the exit side of the upper and lower detection pipelines are connected by a connection pipe. The gauge entrance valve is closed, a tube is connected to the lower detection pipe to inject water to the diaphragm of the pressure difference generator passing through the connection pipe thereby enabling to calibrate the pressure difference generator. The accuracy of the calibration of instruments is improved and workability thereof upon flange maintenance is also improved. (I.S.)

  20. Pipelines. Economy's veins; Pipelines. Adern der Wirtschaft

    Energy Technology Data Exchange (ETDEWEB)

    Feizlmayr, Adolf; Goestl, Stefan [ILF Beratende Ingenieure, Muenchen (Germany)

    2011-02-15

    According to the existing prognoses more than 1 million km of gas pipelines, oil pipelines and water pipelines are built up to the year 2030. The predominant portion is from gas pipelines. The safe continued utilization of the aging pipelines is a large challenge. In addition, the diagnostic technology, the evaluation and risk assessment have to be developed further. With the design of new oil pipelines and gas pipelines, aspects of environmental protection, the energy efficiency of transport and thus the emission reduction of carbon dioxide, the public acceptance and the market strategy of the exporters gain in importance. With the offshore pipelines one soon will exceed the present border of 2,000 m depth of water and penetrate into larger sea depths.

  1. 77 FR 34123 - Pipeline Safety: Public Meeting on Integrity Management of Gas Distribution Pipelines

    Science.gov (United States)

    2012-06-08

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2012-0100] Pipeline Safety: Public Meeting on Integrity Management of Gas Distribution Pipelines AGENCY: Office of Pipeline Safety, Pipeline and Hazardous Materials Safety Administration, DOT. ACTION...

  2. 76 FR 29333 - Pipeline Safety: Meetings of the Technical Pipeline Safety Standards Committee and the Technical...

    Science.gov (United States)

    2011-05-20

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... Technical Hazardous Liquid Pipeline Safety Standards Committee AGENCY: Pipeline and Hazardous Materials... for natural gas pipelines and for hazardous liquid pipelines. Both committees were established under...

  3. Metabolite signal identification in accurate mass metabolomics data with MZedDB, an interactive m/z annotation tool utilising predicted ionisation behaviour 'rules'

    Directory of Open Access Journals (Sweden)

    Snowdon Stuart

    2009-07-01

    Full Text Available Abstract Background Metabolomics experiments using Mass Spectrometry (MS technology measure the mass to charge ratio (m/z and intensity of ionised molecules in crude extracts of complex biological samples to generate high dimensional metabolite 'fingerprint' or metabolite 'profile' data. High resolution MS instruments perform routinely with a mass accuracy of Results Metabolite 'structures' harvested from publicly accessible databases were converted into a common format to generate a comprehensive archive in MZedDB. 'Rules' were derived from chemical information that allowed MZedDB to generate a list of adducts and neutral loss fragments putatively able to form for each structure and calculate, on the fly, the exact molecular weight of every potential ionisation product to provide targets for annotation searches based on accurate mass. We demonstrate that data matrices representing populations of ionisation products generated from different biological matrices contain a large proportion (sometimes > 50% of molecular isotopes, salt adducts and neutral loss fragments. Correlation analysis of ESI-MS data features confirmed the predicted relationships of m/z signals. An integrated isotope enumerator in MZedDB allowed verification of exact isotopic pattern distributions to corroborate experimental data. Conclusion We conclude that although ultra-high accurate mass instruments provide major insight into the chemical diversity of biological extracts, the facile annotation of a large proportion of signals is not possible by simple, automated query of current databases using computed molecular formulae. Parameterising MZedDB to take into account predicted ionisation behaviour and the biological source of any sample improves greatly both the frequency and accuracy of potential annotation 'hits' in ESI-MS data.

  4. Identification of selected in vitro generated phase-I metabolites of the steroidal selective androgen receptor modulator MK-0773 for doping control purposes.

    Science.gov (United States)

    Lagojda, Andreas; Kuehne, Dirk; Krug, Oliver; Thomas, Andreas; Wigger, Tina; Karst, Uwe; Schänzer, Wilhelm; Thevis, Mario

    2016-01-01

    Research into developing anabolic agents for various therapeutic purposes has been pursued for decades. As the clinical utility of anabolic-androgenic steroids has been found to be limited because of their lack of tissue selectivity and associated off-target effects, alternative drug entities have been designed and are commonly referred to as selective androgen receptor modulators (SARMs). While most of these SARMs are of nonsteroidal structure, the drug candidate MK-0773 comprises a 4-aza-steroidal nucleus. Besides the intended therapeutic use, SARMs have been found to be illicitly distributed and misused as doping agents in sport, necessitating frequently updated doping control analytical assays. As steroidal compounds reportedly undergo considerable metabolic transformations, the phase-I metabolism of MK-0773 was simulated using human liver microsomal (HLM) preparations and electrochemical conversion. Subsequently, major metabolic products were identified and characterized employing liquid chromatography-high-resolution/high- accuracy tandem mass spectrometry with electrospray (ESI) and atmospheric pressure chemical ionization (APCI) as well as nuclear magnetic resonance (NMR) spectroscopy. MK-0773 produced numerous phase-I metabolites under the chosen in vitro incubation reactions, mostly resulting from mono- and bisoxygenation of the steroid. HLM yielded at least 10 monooxygenated species, while electrochemistry-based experiments resulted predominantly in three monohydroxylated metabolites. Elemental composition data and product ion mass spectra were generated for these analytes, ESI/APCI measurements corroborated the formation of at least two N-oxygenated metabolites, and NMR data obtained from electrochemistry-derived products supported structures suggested for three monohydroxylated compounds. Hereby, the hydroxylation of the A-ring located N- bound methyl group was found to be of particular intensity. In the absence of controlled elimination studies, the

  5. The Profiling and Identification of the Absorbed Constituents and Metabolites of Guizhi Decoction in Rat Plasma and Urine by Rapid Resolution Liquid Chromatography Combined with Quadrupole-Time-of-Flight Mass Spectrometry

    Science.gov (United States)

    Xiang, Hongjun; Zhang, Lishi; Song, Jiannan; Fan, Bin; Nie, Yinglan; Bai, Dong; Lei, Haimin

    2016-01-01

    Guizhi decoction (GZD), a well-known traditional Chinese medicine (TCM) prescription consisting of Ramulus Cinnamomi, Radix Paeoniae Alba, Radix Glycyrrhizae, Fructus Jujubae and Rhizoma Zingiberis Recens, is usually used for the treatment of common colds, influenza, and other pyretic conditions in the clinic. However, the absorbed ingredients and metabolic compounds of GZD have not been reported. In this paper, a method incorporating rapid resolution liquid chromatography (RRLC) with quadrupole-time-of-flight mass spectrometry (Q-TOF-MS) was used to identify ingredients after oral administration of GZD. Identification of the primary components in GZD, drug-containing serum and urine samples was carried out in order to investigate the assimilation and metabolites of the decoction in vivo. By comparing the total ion chromatograms (TICs) of GZD, a total of 71 constituents were detected or characterized. By comparing TICs of blank and dosed rat plasma, a total of 15 constituents were detected and identified as prototypes according to their retention time (tR) and MS, MS/MS data. Based on this, neutral loss scans of 80 and 176 Da in samples of rat plasma and urine helped us to identify most of the metabolites. Results showed that the predominant metabolic pathways of (epi) catechin and gallic acid were sulfation, methylation, glucuronidation and dehydroxylation; the major metabolic pathways of flavone were hydrolysis, sulfation and glucuronidation. Furthermore, degradation, oxidation and ring fission were found to often occur in the metabolism process of GZD in vivo. PMID:27626411

  6. Pipeline rehabilitation planning

    Energy Technology Data Exchange (ETDEWEB)

    Palmer-Jones, Roland; Hopkins, Phil; Eyre, David [PENSPEN (United Kingdom)

    2005-07-01

    An operator faced with an onshore pipeline that has extensive damage must consider the need for rehabilitation, the sort of rehabilitation to be used, and the rehabilitation schedule. This paper will consider pipeline rehabilitation based on the authors' experiences from recent projects, and recommend a simple strategy for planning pipeline rehabilitation. It will also consider rehabilitation options: external re-coating; internal lining; internal painting; programmed repairs. The main focus will be external re-coating. Consideration will be given to rehabilitation coating types, including tape wraps, epoxy, and polyurethane. Finally it will discuss different options for scheduling the rehabilitation of corrosion damage including: the statistical comparison of signals from inspection pigs; statistical comparison of selected measurements from inspection pigs and other inspections; the use of corrosion rates estimated for the mechanisms and conditions; expert judgement. (author)

  7. Beyond the pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Barnsley, J.; Ellis, D.; McIntosh, J.

    1979-12-01

    A study was conducted on the lives of women and their families in Fort Nelson, British Columbia, and Whitehorse, Yukon Territory, two communities which are to be affected by the proposed construction of the Alaska Highway gas pipeline. The womens' socio-economic concerns resulting from the proposed construction were examined by means of interviews with samples of women living in the two communities. Results from the study include descriptions of the communities and their basic services, community planning and housing, women's work in the home and for wages, and the perceived impact of the pipeline on such matters as employment, social services, living costs, business, housing, crime, and the overall community. Recommendations are made to improve the planning process for the pipeline to include the taking into account of womens' needs in such areas as training, health care, housing, and community services. 213 refs., 4 figs., 2 tabs.

  8. CPL: Common Pipeline Library

    Science.gov (United States)

    ESO CPL Development Team

    2014-02-01

    The Common Pipeline Library (CPL) is a set of ISO-C libraries that provide a comprehensive, efficient and robust software toolkit to create automated astronomical data reduction pipelines. Though initially developed as a standardized way to build VLT instrument pipelines, the CPL may be more generally applied to any similar application. The code also provides a variety of general purpose image- and signal-processing functions, making it an excellent framework for the creation of more generic data handling packages. The CPL handles low-level data types (images, tables, matrices, strings, property lists, etc.) and medium-level data access methods (a simple data abstraction layer for FITS files). It also provides table organization and manipulation, keyword/value handling and management, and support for dynamic loading of recipe modules using programs such as EsoRex (ascl:1504.003).

  9. Northern pipelines : backgrounder

    International Nuclear Information System (INIS)

    2002-04-01

    Most analysts agree that demand for natural gas in North America will continue to grow. Favourable market conditions created by rising demand and declining production have sparked renewed interest in northern natural gas development. The 2002 Annual Energy Outlook forecasted U.S. consumption to increase at an annual average rate of 2 per cent from 22.8 trillion cubic feet to 33.8 TCF by 2020, mostly due to rapid growth in demand for electric power generation. Natural gas prices are also expected to increase at an annual average rate of 1.6 per cent, reaching $3.26 per thousand cubic feet in 2020. There are currently 3 proposals for pipelines to move northern gas to US markets. They include a stand-alone Mackenzie Delta Project, the Alaska Highway Pipeline Project, and an offshore route that would combine Alaskan and Canadian gas in a pipeline across the floor of the Beaufort Sea. Current market conditions and demand suggest that the projects are not mutually exclusive, but complimentary. The factors that differentiate northern pipeline proposals are reserves, preparedness for market, costs, engineering, and environmental differences. Canada has affirmed its role to provide the regulatory and fiscal certainty needed by industry to make investment decisions. The Government of the Yukon does not believe that the Alaska Highway Project will shut in Mackenzie Delta gas, but will instead pave the way for development of a new northern natural gas industry. The Alaska Highway Pipeline Project will bring significant benefits for the Yukon, the Northwest Territories and the rest of Canada. Unresolved land claims are one of the challenges that has to be addressed for both Yukon and the Northwest Territories, as the proposed Alaska Highway Pipeline will travel through traditional territories of several Yukon first Nations. 1 tab., 4 figs

  10. Fluid pipeline system leak detection based on neural network and pattern recognition

    International Nuclear Information System (INIS)

    Tang Xiujia

    1998-01-01

    The mechanism of the stress wave propagation along the pipeline system of NPP, caused by turbulent ejection from pipeline leakage, is researched. A series of characteristic index are described in time domain or frequency domain, and compress numerical algorithm is developed for original data compression. A back propagation neural networks (BPNN) with the input matrix composed by stress wave characteristics in time domain or frequency domain is first proposed to classify various situations of the pipeline, in order to detect the leakage in the fluid flow pipelines. The capability of the new method had been demonstrated by experiments and finally used to design a handy instrument for the pipeline leakage detection. Usually a pipeline system has many inner branches and often in adjusting dynamic condition, it is difficult for traditional pipeline diagnosis facilities to identify the difference between inner pipeline operation and pipeline fault. The author first proposed pipeline wave propagation identification by pattern recognition to diagnose pipeline leak. A series of pattern primitives such as peaks, valleys, horizon lines, capstan peaks, dominant relations, slave relations, etc., are used to extract features of the negative pressure wave form. The context-free grammar of symbolic representation of the negative wave form is used, and a negative wave form parsing system with application to structural pattern recognition based on the representation is first proposed to detect and localize leaks of the fluid pipelines

  11. 21 CFR 862.3250 - Cocaine and cocaine metabolite test system.

    Science.gov (United States)

    2010-04-01

    ... 21 Food and Drugs 8 2010-04-01 2010-04-01 false Cocaine and cocaine metabolite test system. 862... Test Systems § 862.3250 Cocaine and cocaine metabolite test system. (a) Identification. A cocaine and cocaine metabolite test system is a device intended to measure cocaine and a cocaine metabolite...

  12. Changes in Urinary Phthalate Metabolite Levels Before and After the Phthalate Contamination Event and Identification of Exposure Sources in a Cohort of Taiwanese Children.

    Science.gov (United States)

    Huang, Chian-Feng; Wang, I-Jen

    2017-08-19

    In 2011, the Taiwan Food and Drug Administration inadvertently discovered that, for decades, manufacturers had replaced expensive natural emulsifiers in food products with diethylhexyl phthalate (DEHP). We wanted to compare urinary phthalate metabolite levels of children before and after the DEHP food contamination event and identify source(s) of phthalate exposure in addition to the illegal food additives. In the present study, morning urine samples were collected from a cohort of 453 children in 2010 in Taipei. After the DEHP food contamination event, there were 200 cohort children left at follow-up in 2013. The geometric means (GMs) of urinary mono(2-ethyl-5-hydroxyhexyl) phthalate (5OH-MEHP) levels before and after the event were 9.39 and 13.34 µg/g of creatinine, respectively, with no significant difference ( p = 0.093). After the DEHP food contamination event, we found that urinary phthalate metabolite levels were significantly higher in people who frequently consumed microwave-heated food and used fragrance-containing products ( p food contamination event, thus, other sources must contribute to phthalate exposure in daily life. Public awareness of approaches to reducing phthalate exposure is necessary.

  13. Oral Administration of the Japanese Traditional Medicine Keishibukuryogan-ka-yokuinin Decreases Reactive Oxygen Metabolites in Rat Plasma: Identification of Chemical Constituents Contributing to Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Yosuke Matsubara

    2017-02-01

    Full Text Available Insufficient detoxification and/or overproduction of reactive oxygen species (ROS induce cellular and tissue damage, and generated reactive oxygen metabolites become exacerbating factors of dermatitis. Keishibukuryogan-ka-yokuinin (KBGY is a traditional Japanese medicine prescribed to treat dermatitis such as acne vulgaris. Our aim was to verify the antioxidant properties of KBGY, and identify its active constituents by blood pharmacokinetic techniques. Chemical constituents were quantified in extracts of KBGY, crude components, and the plasma of rats treated with a single oral administration of KBGY. Twenty-three KBGY compounds were detected in plasma, including gallic acid, prunasin, paeoniflorin, and azelaic acid, which have been reported to be effective for inflammation. KBGY decreased level of the diacron-reactive oxygen metabolites (d-ROMs in plasma. ROS-scavenging and lipid hydroperoxide (LPO generation assays revealed that gallic acid, 3-O-methylgallic acid, (+-catechin, and lariciresinol possess strong antioxidant activities. Gallic acid was active at a similar concentration to the maximum plasma concentration, therefore, our findings indicate that gallic acid is an important active constituent contributing to the antioxidant effects of KBGY. KBGY and its active constituents may improve redox imbalances induced by oxidative stress as an optional treatment for skin diseases.

  14. Rationalization and prediction of in vivo metabolite exposures: The role of metabolite kinetics, clearance predictions and in vitro parameters

    Science.gov (United States)

    Lutz, Justin D.; Fujioka, Yasushi; Isoherranen, Nina

    2010-01-01

    Importance of the field Due to growing concerns over toxic or active metabolites, significant efforts have been focused on qualitative identification of potential in vivo metabolites from in vitro data. However, limited tools are available to quantitatively predict their human exposures. Areas covered in this review Theory of clearance predictions and metabolite kinetics is reviewed together with supporting experimental data. In vitro and in vivo data of known circulating metabolites and their parent drugs was collected and the predictions of in vivo exposures of the metabolites were evaluated. What the reader will gain The theory and data reviewed will be useful in early identification of human metabolites that will circulate at significant levels in vivo and help in designing in vivo studies that focus on characterization of metabolites. It will also assist in rationalization of metabolite-to-parent ratios used as markers of specific enzyme activity. Take home message The relative importance of a metabolite in comparison to the parent compound as well as other metabolites in vivo can only be predicted using the metabolites in vitro formation and elimination clearances, and the in vivo disposition of a metabolite can only be rationalized when the elimination pathways of that metabolite are known. PMID:20557268

  15. Crossing Active Faults on the Sakhalin II Onshore Pipeline Route: Pipeline Design and Risk Analysis

    International Nuclear Information System (INIS)

    Mattiozzi, Pierpaolo; Strom, Alexander

    2008-01-01

    Twin oil (20 and 24 inch) and gas (20 and 48 inch) pipeline systems stretching 800 km are being constructed to connect offshore hydrocarbon deposits from the Sakhalin II concession in the North to an LNG plant and oil export terminal in the South of Sakhalin island. The onshore pipeline route follows a regional fault zone and crosses individual active faults at 19 locations. Sakhalin Energy, Design and Construction companies took significant care to ensure the integrity of the pipelines, should large seismic induced ground movements occur during the Operational life of the facilities. Complex investigations including the identification of the active faults, their precise location, their particular displacement values and assessment of the fault kinematics were carried out to provide input data for unique design solutions. Lateral and reverse offset displacements of 5.5 and 4.5 m respectively were determined as the single-event values for the design level earthquake (DLE) - the 1000-year return period event. Within the constraints of a pipeline route largely fixed, the underground pipeline fault crossing design was developed to define the optimum routing which would minimize stresses and strain using linepipe materials which had been ordered prior to the completion of detailed design, and to specify requirements for pipe trenching shape, materials, drainage system, etc. Detailed Design was performed with due regard to actual topography and to avoid the possibility of the trenches freezing in winter, the implementation of specific drainage solutions and thermal protection measures

  16. Diagnosing in building main pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Telegin, L.G.; Gorelov, A.S.; Kurepin, B.N.; Orekhov, V.I.; Vasil' yev, G.G.; Yakovlev, Ye. I.

    1984-01-01

    General principles are examined for technical diagnosis in building main pipelines. A technique is presented for diagnosis during construction, as well as diagnosis of the technical state of the pipeline-construction machines and mechanisms. The survey materials could be used to set up construction of main pipelines.

  17. Richards Bay effluent pipeline

    CSIR Research Space (South Africa)

    Lord, DA

    1986-07-01

    Full Text Available of major concern identified in the effluent are the large volume of byproduct calcium sulphate (phosphogypsum) which would smother marine life, high concentrations of fluoride highly toxic to marine life, heavy metals, chlorinated organic material... ........................ 9 THE RICHARDS BAY PIPELINE ........................................ 16 Environmental considerations ................................... 16 - Phosphogypsum disposal ................................... 16 - Effects of fluoride on locally occurring...

  18. Central oxygen pipeline failure

    African Journals Online (AJOL)

    surgical intensive care unit (ICU), with two patients on full ventilation and ... uncertainty around the cause of the failure and the restoration, .... soon as its level also falls below three tons. Should ... (properly checked and closed prior to each anaesthetic). ... in use at the time of the central oxygen pipeline failure at Tygerberg.

  19. Transient cavitation in pipelines

    NARCIS (Netherlands)

    Kranenburg, C.

    1974-01-01

    The aim of the present study is to set up a one-dimensional mathematical model, which describes the transient flow in pipelines, taking into account the influence of cavitation and free gas. The flow will be conceived of as a three-phase flow of the liquid, its vapour and non-condensible gas. The

  20. Separation and identification of Se-methylselenogalactosamine - a new metabolite in basal human urine - by HPLC-ICP-MS and CE-nano-ESI-(MS)(2)

    DEFF Research Database (Denmark)

    Bendahl, L.; Gammelgaard, Bente

    2004-01-01

    Three minor metabolites were isolated from human urine. Two of these were identified by nano electrospray ionisation mass spectrometry (nESI-MS) as Se-methylseleno-N-acetylglucosamine and Se-methylselenogalactosamine, respectively. A human urine pool was lyophilised and reconstituted in methanol......-chromatographed in the reversed phase system and further purified in different separation systems before analysis by nESI-MS. By CE-nESI-MS analysis of one of the fractions, the characteristic selenium pattern was recognized around m/z 285 and ( MS) 2 fragmentation resulted in a fragments at m/z 267, 173 and 155, respectively....... It was not possible to identify this selenium compound on basis of the available data. The selenium compound in the second fraction showed co-elution with a Se-methylseleno-N-acetylglucosamine standard. The identity of this compound was verified by nESI-MS after further purification by size exclusion chromatography...

  1. Politics, proximity and the pipeline: Mapping public attitudes toward Keystone XL

    International Nuclear Information System (INIS)

    Gravelle, Timothy B.; Lachapelle, Erick

    2015-01-01

    The politics of oil pipelines have become increasingly salient in American politics in recent years. In particular, debates about economic benefits, energy security and environmental impact have been provoked by the proposed Keystone XL pipeline expansion intended to take bitumen from northern Alberta in Canada to refineries on the Gulf Coast in Texas. Drawing on data from recent surveys conducted by the Pew Research Center, this article asks a series of questions. What levels of support for (and opposition to) the pipeline exist among the American public? What are the roles of political factors (such as party identification and ideology), economic attitudes, environmental attitudes and proximity to the proposed pipeline route in shaping attitudes toward the pipeline? And how do political factors and proximity to the pipeline interact? We find that partisanship and ideology drive attitudes toward the Keystone XL pipeline, and that the effect of ideology is attenuated by proximity to the proposed route. The policy implications of these findings for energy infrastructure siting controversies are discussed. -- Highlights: •Americans are divided on the Keystone XL energy pipeline. •Attitudes toward Keystone XL are driven by political party identification and ideology. •Attitudes toward the pipeline are also shaped by attitudes toward the economy and global warming. •The effect of proximity on attitudes toward Keystone XL is non-linear. •Spatial proximity to the pipeline attenuates the effect of ideology

  2. Condition Monitoring Of Operating Pipelines With Operational Modal Analysis Application

    Directory of Open Access Journals (Sweden)

    Mironov Aleksey

    2015-12-01

    Full Text Available In the petroleum, natural gas and petrochemical industries, great attention is being paid to safety, reliability and maintainability of equipment. There are a number of technologies to monitor, control, and maintain gas, oil, water, and sewer pipelines. The paper focuses on operational modal analysis (OMA application for condition monitoring of operating pipelines. Special focus is on the topicality of OMA for definition of the dynamic features of the pipeline (frequencies and mode shapes in operation. The research was conducted using two operating laboratory models imitated a part of the operating pipeline. The results of finite-element modeling, identification of pipe natural modes and its modification under the influence of virtual failure are discussed. The work considers the results of experimental research of dynamic behavior of the operating pipe models using one of OMA techniques and comparing dynamic properties with the modeled data. The study results demonstrate sensitivity of modal shape parameters to modification of operating pipeline technical state. Two strategies of pipeline repair – with continuously condition-based monitoring with proposed technology and without such monitoring, was discussed. Markov chain reliability models for each strategy were analyzed and reliability improvement factor for proposed technology of monitoring in compare with traditional one was evaluated. It is resumed about ability of operating pipeline condition monitoring by measuring dynamic deformations of the operating pipe and OMA techniques application for dynamic properties extraction.

  3. Electrosynthesis methods and approaches for the preparative production of metabolites from parent drugs

    NARCIS (Netherlands)

    Gül, Turan; Bischoff, Rainer; Permentier, Hjalmar

    2015-01-01

    Identification of potentially toxic metabolites is important for drug discovery and development. Synthesis of drug metabolites is typically performed by organic synthesis or enzymatic methods, but is not always straightforward. Electrochemical (EC) methods are increasingly used to study drug

  4. Pipeline corridors through wetlands

    International Nuclear Information System (INIS)

    Zimmerman, R.E.; Wilkey, P.L.; Isaacson, H.R.

    1992-01-01

    This paper presents preliminary findings from six vegetational surveys of gas pipeline rights-of-way (ROW) through wetlands and quantifies the impacts of a 20-year-old pipeline ROW through a boreal forest wetland. Six sites of various ages were surveyed in ecosystems ranging from coastal marsh to forested wetland. At all sites except one, both the number and the percentage of wetland species on the Row approximated or exceeded those in the adjacent natural area. The boreal forest study showed that (1) adjacent natural wetland areas were not altered in type; (2) water sheet flow restriction had been reversed by nature; (3) no nonnative plant species invaded the natural area; (4) three-quarters of the ROW area was a wetland, and (5) the ROW increased diversity

  5. Global offshore pipeline markets

    International Nuclear Information System (INIS)

    Knight, R.; Parsons, B.

    2001-01-01

    In this article, two experts forecast a recovery in the offshore pipeline market followed by accelerating growth. A number of clearly definable macro trends are affecting the world offshore oil and gas industry and will be of considerable significance to the offshore pipelines industry. The authors' view is of markets that show every chance of enjoying long-term growth prospects driven by the fundamentals of a continuing increase in demand for offshore oil and gas. The offshore industry however has a highly cyclical nature, due to the impact of variations in oil and gas prices and the differing state of maturity of individual regions. Therefore those companies that are able to offer the widest range of pipe types and diameters and methods of installation across the greatest range of geographic markets are likely to prosper most. Thus, this continues to be a market best suited to those able to operate on a global scale and make a corporate commitment measured in decades

  6. Instrumented Pipeline Initiative

    Energy Technology Data Exchange (ETDEWEB)

    Thomas Piro; Michael Ream

    2010-07-31

    This report summarizes technical progress achieved during the cooperative agreement between Concurrent Technologies Corporation (CTC) and U.S. Department of Energy to address the need for a for low-cost monitoring and inspection sensor system as identified in the Department of Energy (DOE) National Gas Infrastructure Research & Development (R&D) Delivery Reliability Program Roadmap.. The Instrumented Pipeline Initiative (IPI) achieved the objective by researching technologies for the monitoring of pipeline delivery integrity, through a ubiquitous network of sensors and controllers to detect and diagnose incipient defects, leaks, and failures. This report is organized by tasks as detailed in the Statement of Project Objectives (SOPO). The sections all state the objective and approach before detailing results of work.

  7. Russia: the pipeline diplomacy

    International Nuclear Information System (INIS)

    Bourdillon, Y.

    2005-01-01

    First world producer of oil and gas, Russia wishes to use its mastery of energy distribution to recover its great power status. The oil and gas pipelines network is the basement used by Russia to build up its hegemony in Europe. The Russian oil and gas companies are also carrying out a long-term strategy of international expansion, in particular thanks to investments in the neighboring countries for the building of new infrastructures or the purchase of oil refineries. (J.S.)

  8. Pipeline Optimization Program (PLOP)

    Science.gov (United States)

    2006-08-01

    the framework of the Dredging Operations Decision Support System (DODSS, https://dodss.wes.army.mil/wiki/0). PLOP compiles industry standards and...efficiency point ( BEP ). In the interest of acceptable wear rate on the pump, industrial standards dictate that the flow Figure 2. Pump class as a function of...percentage of the flow rate corresponding to the BEP . Pump Acceptability Rules. The facts for pump performance, industrial standards and pipeline and

  9. Pipeline network and environment

    International Nuclear Information System (INIS)

    Oliveira Nascimento, I.; Wagner, J.; Silveira, T.

    2012-01-01

    The Rio de Janeiro is one of 27 units of Brazil. It is located in the eastern portion of the Southeast and occupies an area of 43 696.054 km², being effectively the 3rd smallest state in Brazil. This state in recent years has suffered from erosion problems caused by the deployment of the network pipeline. The deployment pipeline is part of the activities related to the oil industry has caused a more intense conflict between the environment and economic activities, modifying the soil structure and distribution of surface and subsurface flows. This study aimed to analyze the erosion caused by the removal of soil for the deployment of pipeline transportation, with the consequences of the emergence of numerous gullies, landslides and silting of rivers. For the development of this study were performed bibliographic research, field work, mapping and digital preparation of the initial diagnosis of active processes and what the consequent environmental impacts. For these reasons, we conclude that the problems could be avoided or mitigated if there was a prior geological risk management. (author)

  10. United States petroleum pipelines: An empirical analysis of pipeline sizing

    Science.gov (United States)

    Coburn, L. L.

    1980-12-01

    The undersizing theory hypothesizes that integrated oil companies have a strong economic incentive to size the petroleum pipelines they own and ship over in a way that means that some of the demand must utilize higher cost alternatives. The DOJ theory posits that excess or monopoly profits are earned due to the natural monopoly characteristics of petroleum pipelines and the existence of market power in some pipelines at either the upstream or downstream market. The theory holds that independent petroleum pipelines owned by companies not otherwise affiliated with the petroleum industry (independent pipelines) do not have these incentives and all the efficiencies of pipeline transportation are passed to the ultimate consumer. Integrated oil companies on the other hand, keep these cost efficiencies for themselves in the form of excess profits.

  11. Pipelines : moving biomass and energy

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A. [Alberta Univ., Edmonton, AB (Canada). Dept. of Mechanical Engineering

    2006-07-01

    Moving biomass and energy through pipelines was presented. Field sourced biomass utilization for fuel was discussed in terms of competing cost factors; economies of scale; and differing fuel plant sizes. The cost versus scale in a bioenergy facility was illustrated in chart format. The transportation cost of biomass was presented as it is a major component of total biomass processing cost and is in the typical range of 25-45 per cent of total processing costs for truck transport of biomass. Issues in large scale biomass utilization, scale effects in transportation, and components of transport cost were identified. Other topics related to transportation issues included approaches to pipeline transport; cost of wood chips in pipeline transport; and distance variable cost of transporting wood chips by pipeline. Practical applications were also offered. In addition, the presentation provided and illustrated a model for an ethanol plant supplied by truck transport as well as a sample configuration for 19 truck based ethanol plants versus one large facility supplied by truck plus 18 pipelines. Last, pipeline transport of bio-oil and pipeline transport of syngas was discussed. It was concluded that pipeline transport can help in reducing congestion issues in large scale biomass utilization and that it can offer a means to achieve large plant size. Some current research at the University of Alberta on pipeline transport of raw biomass, bio-oil and hydrogen production from biomass for oil sands and pipeline transport was also presented. tabs., figs.

  12. Identification of Carboxylate, Phosphate, and Phenoxide Functionalities in Deprotonated Molecules Related to Drug Metabolites via Ion-Molecule Reactions with water and Diethylhydroxyborane

    Science.gov (United States)

    Zhu, Hanyu; Ma, Xin; Kong, John Y.; Zhang, Minli; Kenttämaa, Hilkka I.

    2017-10-01

    Tandem mass spectrometry based on ion-molecule reactions has emerged as a powerful tool for structural elucidation of ionized analytes. However, most currently used reagents were designed to react with protonated analytes, making them suboptimal for acidic analytes that are preferentially detected in negative ion mode. In this work we demonstrate that the phenoxide, carboxylate, and phosphate functionalities can be identified in deprotonated molecules by use of a combination of two reagents, diethylmethoxyborane (DEMB) and water. A novel reagent introduction setup that allowed DEMB and water to be separately introduced into the ion trap region of the mass spectrometer was developed to facilitate fundamental studies of this reaction. A new reagent, diethylhydroxyborane (DEHB), was generated inside the ion trap by hydrolysis of DEMB on introduction of water. Most carboxylates and phenoxides formed a DEHB adduct, followed by addition of one water molecule and subsequent ethane elimination (DEHB adduct +H2O - CH3CH3) as the major product ion. Phenoxides with a hydroxy group adjacent to the deprotonation site and phosphates formed a DEHB adduct, followed by ethane elimination (DEHB adduct - CH3CH3). Deprotonated molecules with strong intramolecular hydrogen bonds or without the aforementioned functionalities, including sulfates, were unreactive toward DEHB/H2O. Reaction mechanisms were explored via isotope labeling experiments and quantum chemical calculations. The mass spectrometry method allowed the differentiation of phenoxide-, carboxylate-, phosphate-, and sulfate-containing analytes. Finally, it was successfully coupled with high-performance liquid chromatography for the analysis of a mixture containing hymecromone, a biliary spasm drug, and its three possible metabolites. [Figure not available: see fulltext.

  13. Development of an HPLC fluorescence method for determination of boldine in plasma, bile and urine of rats and identification of its major metabolites by LC-MS/MS.

    Science.gov (United States)

    Hroch, Miloš; Mičuda, Stanislav; Cermanová, Jolana; Chládek, Jaroslav; Tomšík, Pavel

    2013-10-01

    Boldine belongs to the group of aporphine alkaloids isolated from Boldo tree. In contrast with numerous reports on the pharmacological effects of boldine, the data about its pharmacokinetics and biotransformation are scarce. No validated bioanalytical method of sufficient sensitivity has so far been described in the literature which could be used for quantification of boldine in various body fluids collected in pharmacokinetic studies. This work presents, for the first time, the assay for boldine in the plasma, bile and urine of rats. It includes liquid-liquid extraction/back-extraction of boldine, its chromatographic separation and sensitive fluorescence detection. Separation was carried out on a pentafluorophenyl core-shell column (Kinetex PFP, 150×3mm, 2.6μm) in gradient elution mode with solvent system consisting of an acetonitrile-ammonium formate buffer (5mM, pH=3.8). Fluorimetric detection (λEX=320nm, λEM=370nm) was used for quantitative work. Validation according to the EMEA guideline proved the assay LLOQ (0.1μmolL(-1)), linearity over a broad range of 0.1-50μmolL(-1), precision (intra- and inter-day CVs less than 4.5% and 6.1%, respectively) and accuracy (relative errors between -5.8% and 4.8%). In a pilot pharmacokinetic experiment, the concentration-time profiles were described for boldine (single i.v. bolus 50mgkg(-1)) in plasma and bile and cumulative excretion in urine was investigated. The major metabolites identified by means of LC-MS(n) were boldine-O-glucuronide, boldine-O-sulphate and disulphate, boldine-O-glucuronide-O-sulphate and N-demethyl-boldine-O-sulphate. Copyright © 2013 Elsevier B.V. All rights reserved.

  14. ASTROPOP: ASTROnomical Polarimetry and Photometry pipeline

    Science.gov (United States)

    Campagnolo, Julio C. N.

    2018-05-01

    AstroPoP reduces almost any CCD photometry and image polarimetry data. For photometry reduction, the code performs source finding, aperture and PSF photometry, astrometry calibration using different automated and non-automated methods and automated source identification and magnitude calibration based on online and local catalogs. For polarimetry, the code resolves linear and circular Stokes parameters produced by image beam splitter or polarizer polarimeters. In addition to the modular functions, ready-to-use pipelines based in configuration files and header keys are also provided with the code. AstroPOP was initially developed to reduce the IAGPOL polarimeter data installed at Observatório Pico dos Dias (Brazil).

  15. Planned and proposed pipeline regulations

    International Nuclear Information System (INIS)

    De Leon, C.

    1992-01-01

    The Research and Special Programs Administration administers the Natural Gas Pipeline Safety Act of 1968 (NGPSA) and the Hazardous Liquid Pipeline Safety Act of 1979 (HLPSA). The RSPA issues and enforces design, construction, operation and maintenance regulations for natural gas pipelines and hazardous liquid pipelines. This paper discusses a number of proposed and pending safety regulations and legislative initiatives currently being considered by the RSPA and the US Congress. Some new regulations have been enacted. The next few years will see a great deal of regulatory activity regarding natural gas and hazardous liquid pipelines, much of it resulting from legislative requirements. The office of Pipeline Safety is currently conducting a study to streamline its operations. This study is analyzing the office's business, social and technical operations with the goal of improving overall efficiency, effectiveness, productivity and job satisfaction to meet the challenges of the future

  16. Incidental electric heating of pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Sonninskii, A V; Sirotin, A M; Vasiliev, Y N

    1981-04-01

    VNIIgaz has improved the conventional Japanese SECT pipeline-heating system, which uses a small steel tube that contains an insulated heater/conductor and is welded to the top of the pipeline. The improved version has two insulated electric heaters - one on the top and the other on the bottom of the pipeline - located inside steel angle irons that are welded to the pipeline. A comparison of experimental results from heating a 200-ft pipeline with both systems at currents of up to 470 A clearly demonstrated the better heating efficiency of the VNIIgaz unit. The improved SECT system would be suitable for various types of pipelines, including gas lines, in the USSR's far north regions.

  17. Hydrocarbons pipeline transportation risk assessment

    Science.gov (United States)

    Zanin, A. V.; Milke, A. A.; Kvasov, I. N.

    2018-04-01

    The pipeline transportation applying risks assessment issue in the arctic conditions is addressed in the paper. Pipeline quality characteristics in the given environment has been assessed. To achieve the stated objective, the pipelines mathematical model was designed and visualized by using the software product SOLIDWORKS. When developing the mathematical model the obtained results made possible to define the pipeline optimal characteristics for designing on the Arctic sea bottom. In the course of conducting the research the pipe avalanche collapse risks were examined, internal longitudinal and circular loads acting on the pipeline were analyzed, as well as the water impact hydrodynamic force was taken into consideration. The conducted calculation can contribute to the pipeline transport further development under the harsh climate conditions of the Russian Federation Arctic shelf territory.

  18. 75 FR 5244 - Pipeline Safety: Integrity Management Program for Gas Distribution Pipelines; Correction

    Science.gov (United States)

    2010-02-02

    ... Management Program for Gas Distribution Pipelines; Correction AGENCY: Pipeline and Hazardous Materials Safety... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part... Regulations to require operators of gas distribution pipelines to develop and implement integrity management...

  19. 77 FR 2126 - Pipeline Safety: Implementation of the National Registry of Pipeline and Liquefied Natural Gas...

    Science.gov (United States)

    2012-01-13

    ... Natural Gas Operators AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT. ACTION... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No...: ``Pipeline Safety: Updates to Pipeline and Liquefied Natural Gas Reporting Requirements.'' The final rule...

  20. 78 FR 41991 - Pipeline Safety: Potential for Damage to Pipeline Facilities Caused by Flooding

    Science.gov (United States)

    2013-07-12

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No...: Pipeline and Hazardous Materials Safety Administration (PHMSA); DOT. ACTION: Notice; Issuance of Advisory... Gas and Hazardous Liquid Pipeline Systems. Subject: Potential for Damage to Pipeline Facilities Caused...

  1. 78 FR 41496 - Pipeline Safety: Meetings of the Gas and Liquid Pipeline Advisory Committees

    Science.gov (United States)

    2013-07-10

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2013-0156] Pipeline Safety: Meetings of the Gas and Liquid Pipeline Advisory Committees AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT. ACTION: Notice of advisory committee...

  2. 49 CFR 195.210 - Pipeline location.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 3 2010-10-01 2010-10-01 false Pipeline location. 195.210 Section 195.210 Transportation Other Regulations Relating to Transportation (Continued) PIPELINE AND HAZARDOUS MATERIALS SAFETY... PIPELINE Construction § 195.210 Pipeline location. (a) Pipeline right-of-way must be selected to avoid, as...

  3. Secondary metabolite gene clusters in the entomopathogen fungus Metarhizium anisopliae: genome identification and patterns of expression in a cuticle infection model

    Directory of Open Access Journals (Sweden)

    Nicolau Sbaraini

    2016-10-01

    Full Text Available Abstract Background The described species from the Metarhizium genus are cosmopolitan fungi that infect arthropod hosts. Interestingly, while some species infect a wide range of hosts (host-generalists, other species infect only a few arthropods (host-specialists. This singular evolutionary trait permits unique comparisons to determine how pathogens and virulence determinants emerge. Among the several virulence determinants that have been described, secondary metabolites (SMs are suggested to play essential roles during fungal infection. Despite progress in the study of pathogen-host relationships, the majority of genes related to SM production in Metarhizium spp. are uncharacterized, and little is known about their genomic organization, expression and regulation. To better understand how infection conditions may affect SM production in Metarhizium anisopliae, we have performed a deep survey and description of SM biosynthetic gene clusters (BGCs in M. anisopliae, analyzed RNA-seq data from fungi grown on cattle-tick cuticles, evaluated the differential expression of BGCs, and assessed conservation among the Metarhizium genus. Furthermore, our analysis extended to the construction of a phylogeny for the following three BGCs: a tropolone/citrinin-related compound (MaPKS1, a pseurotin-related compound (MaNRPS-PKS2, and a putative helvolic acid (MaTERP1. Results Among 73 BGCs identified in M. anisopliae, 20 % were up-regulated during initial tick cuticle infection and presumably possess virulence-related roles. These up-regulated BGCs include known clusters, such as destruxin, NG39x and ferricrocin, together with putative helvolic acid and, pseurotin and tropolone/citrinin-related compound clusters as well as uncharacterized clusters. Furthermore, several previously characterized and putative BGCs were silent or down-regulated in initial infection conditions, indicating minor participation over the course of infection. Interestingly, several up

  4. Slurry pipeline technology: an overview

    Energy Technology Data Exchange (ETDEWEB)

    Chapman, Jay P. [Pipeline Systems Incorporated (PSI), Belo Horizonte, MG (Brazil); Lima, Rafael; Pinto, Daniel; Vidal, Alisson [Ausenco do Brasil Engenharia Ltda., Nova Lima, MG (Brazil). PSI Div.

    2009-12-19

    Slurry pipelines represent an economical and environmentally friendly transportation means for many solid materials. This paper provides an over-view of the technology, its evolution and current Brazilian activity. Mineral resources are increasingly moving farther away from ports, processing plants and end use points, and slurry pipelines are an important mode of solids transport. Application guidelines are discussed. State-of-the-Art technical solutions such as pipeline system simulation, pipe materials, pumps, valves, automation, telecommunications, and construction techniques that have made the technology successful are presented. A discussion of where long distant slurry pipelines fit in a picture that also includes thickened and paste materials pipe lining is included. (author)

  5. IDENTIFICACIÓN DE ALGUNOS METABOLITOS SECUNDARIOS DEL EXTRACTO EN ACETATO DE ETILO DE Muricea sp.I IDENTIFICATION OF SOME SECONDARY METABOLITES FROM THE ETHYL- ACETATE-EXTRACT OF THE OCTOCORAL, Muricea sp.

    Directory of Open Access Journals (Sweden)

    Ángel Camacho

    2018-04-01

    Full Text Available Some chromatographic fractions obtained from the ethyl-acetate-extract of the unidentified octocoral species of the genus, Muricea , showed antibacterial activity against Escherichia coli , Salmonella enteritidis , Citrobacter freundii , Staphylococcus aureus , and Bacillus subtlis , which indicates the presence of bioactive compounds in it. The GC/MS analysis of some fractions obtained by continuous chromatographic separation, allowed identification of metabolites, such that: ( Z -9-octadecenoic acid methyl ester, octadecenoic acid methyl ester, 1-methyl-4-ethoxy-δ(3-pyrrolin-2-one, endo-1-bourbonanol, dibutylphtalate, 4,5-epoxy-1-isopropyl-4-methyl- 1-cyclohexene, 1,3,3-trimethyl-7-oxabcyclo[2.2.1]heptane-2-carboxylic acid ethyl ester, 2,6-dimethyl-2-trans- 6-octadiene, farnesol, 3β-cholesta-5,22-dien-3-ol, cholesterol, (3β,22 E ,24S-ergosta-5,22-dien-3-ol, (3β,5α-2- methylenecholestan-3-ol, 3-hidroxylongifolol, by comparison with the WILEY and NIST databases and the study of the fragmentation patterns of their mass spectra.

  6. 76 FR 44985 - Pipeline Safety: Potential for Damage to Pipeline Facilities Caused by Flooding

    Science.gov (United States)

    2011-07-27

    .... PHMSA-2011-0177] Pipeline Safety: Potential for Damage to Pipeline Facilities Caused by Flooding AGENCY... liquid pipelines to communicate the potential for damage to pipeline facilities caused by severe flooding... pipelines in case of flooding. ADDRESSES: This document can be viewed on the Office of Pipeline Safety home...

  7. 77 FR 19799 - Pipeline Safety: Pipeline Damage Prevention Programs

    Science.gov (United States)

    2012-04-02

    ... noted ``when the oil pipeline industry developed the survey for its voluntary spill reporting system...) [cir] The American Public Gas Association (APGA) [cir] The Association of Oil Pipelines (AOPL) [cir... the contrary, all 50 states in the United States have a law designed to prevent excavation damage to...

  8. Eight hours of nocturnal 915 MHz radiofrequency identification (RFID) exposure reduces urinary levels of melatonin and its metabolite via pineal arylalkylamine N-acetyltransferase activity in male rats.

    Science.gov (United States)

    Kim, Hye Sun; Paik, Man-Jeong; Lee, Yu Hee; Lee, Yun-Sil; Choi, Hyung Do; Pack, Jeong-Ki; Kim, Nam; Ahn, Young Hwan

    2015-01-01

    We investigated the effects of whole-body exposure to the 915 MHz radiofrequency identification (RFID) on melatonin biosynthesis and the activity of rat pineal arylalkylamine N-acetyltransferase (AANAT). Rats were exposed to RFID (whole-body specific absorption rate, 4 W/kg) for 8 h/day, 5 days/week, for weeks during the nighttime. Total volume of urine excreted during a 24-h period was collected after RFID exposure. Urinary melatonin and 6-hydroxymelatonin sulfate (6-OHMS) was measured by gas chromatography-mass spectrometry (GC-MS) and enzyme-linked immunosorbent assay (ELISA), respectively. AANAT enzyme activity was measured using liquid biphasic dif-13 fusion assay. Protein levels and mRNA expression of AANAT was 14 measured by Western blot and reverse transcription polymerase 15 chain reaction (RT-PCR) analysis, respectively. Eight hours of nocturnal RFID exposure caused a significant reduction in both urinary melatonin (p = 0. 003) and 6-OHMS (p = 0. 026). Activity, protein levels, and mRNA expression of AANAT were suppressed by exposure to RFID (p RFID exposure can cause reductions in the levels of both urinary melatonin and 6-OHMS, possibly due to decreased melatonin biosynthesis via suppression of Aanat gene transcription in the rat pineal gland.

  9. Organic metabolites produced by Vibrio parahaemolyticus strain ...

    African Journals Online (AJOL)

    Identification and action of several antibacterial metabolites produced by a fish pathogen Vibrio parahaemolyticus strain An3 from marine ecosystem of Goa has been demonstrated. Antibacterial activity of the crude cell extract of the test bacterium has been evaluated against indicator pathogenic bacterial strains such as ...

  10. Lay Pipeline Abandonment Head during Some

    African Journals Online (AJOL)

    2016-12-01

    Dec 1, 2016 ... is very cruel to the structural integrity of the pipeline structure after ... and properties may be jeopardized should the pipeline structure be used for oil or gas transport when such ... pipelines under bending may alter the material.

  11. Pipeline Processing for VISTA

    Science.gov (United States)

    Lewis, J. R.; Irwin, M.; Bunclark, P.

    2010-12-01

    The VISTA telescope is a 4 metre instrument which has recently been commissioned at Paranal, Chile. Equipped with an infrared camera, 16 2Kx2K Raytheon detectors and a 1.7 square degree field of view, VISTA represents a huge leap in infrared survey capability in the southern hemisphere. Pipeline processing of IR data is far more technically challenging than for optical data. IR detectors are inherently more unstable, while the sky emission is over 100 times brighter than most objects of interest, and varies in a complex spatial and temporal manner. To compensate for this, exposure times are kept short, leading to high nightly data rates. VISTA is expected to generate an average of 250 GB of data per night over the next 5-10 years, which far exceeds the current total data rate of all 8m-class telescopes. In this presentation we discuss the pipelines that have been developed to deal with IR imaging data from VISTA and discuss the primary issues involved in an end-to-end system capable of: robustly removing instrument and night sky signatures; monitoring data quality and system integrity; providing astrometric and photometric calibration; and generating photon noise-limited images and science-ready astronomical catalogues.

  12. Accuracy Limitations of Pipelined ADCs

    NARCIS (Netherlands)

    Quinn, P.J.; Roermund, van A.H.M.

    2005-01-01

    In this paper, the key characteristics of the main errors which affect the performance of a switched capacitor pipelined ADC are presented and their effects on the ADC transfer characteristics demonstrated. Clear and concise relationships are developed to aid optimized design of the pipeline ADC and

  13. Recent developments in pipeline welding practice

    Energy Technology Data Exchange (ETDEWEB)

    1979-01-01

    Fourteen chapters are included: overview of pipeline welding systems and quality assurance, CRC automatic welding system, H.C. Price Co. automatic welding system, semi-automatic MIG-welding process, partial penetration welding of steel pipes for gas distribution, construction procedures and quality control in offshore pipeline construction, welding in repair and maintenance of gas transmission pipelines, British Gas studies of welding on pressurized gas transmission pipelines, hot tapping pipelines, underwater welding for offshore pipelines and associated equipment, radial friction welding, material composition vs weld properties, review of NDT of pipeline welds, and safety assurance in pipeline construction. A bibliography of approximately 150 references is included, arranged according to subject and year.

  14. Maglev crude oil pipeline

    Science.gov (United States)

    Knolle, Ernst G.

    1994-01-01

    This maglev crude oil pipeline consists of two conduits guiding an endless stream of long containers. One conduit carries loaded containers and the other empty returns. The containers are levitated by permanent magnets in repulsion and propelled by stationary linear induction motors. The containers are linked to each other in a manner that allows them, while in continuous motion, to be folded into side by side position at loading and unloading points. This folding causes a speed reduction in proportion to the ratio of container diameter to container length. While in side by side position, containers are opened at their ends to be filled or emptied. Container size and speed are elected to produce a desired carrying capacity.

  15. Shipping Information Pipeline

    DEFF Research Database (Denmark)

    Jensen, Thomas

    to creating a more efficient shipping industry, and a number of critical issues are identified. These include that shipments depend on shipping information, that shipments often are delayed due to issues with documentation, that EDI messages account for only a minor part of the needed information......This thesis applies theoretical perspectives from the Information Systems (IS) research field to propose how Information Technology (IT) can improve containerized shipping. This question is addressed by developing a set of design principles for an information infrastructure for sharing shipping...... information named the Shipping Information Pipeline (SIP). Review of the literature revealed that IS research prescribed a set of meta-design principles, including digitalization and digital collaboration by implementation of Inter-Organizational Systems based on Electronic Data Interchange (EDI) messages...

  16. The Leaking Pipeline

    DEFF Research Database (Denmark)

    Henningsen, Inge; Højgaard, Lis

    2002-01-01

    negotiations of cultural prescriptions of gendered subjectivity and identities, organizational understandings and procedures embedded in specific university cultures, traditional of different science disciplines, and the systemic logic and political rationale of the education and research system....... these positions, and one that maintains that a closer look at the statistics does not support this optimism because women’s percentage in recruitment positions is not increasing as the pool of potential female researchers increases, or to put it metaphorically, “the pipeline is leaking women all along” (Alper...... it identifies and describes a Danish verion of ‘the leaky pipeline’ from analyses of the ratios of women in science from high school through tenured positions. Finally it illustrates the cultural mechanisms at play in this process, based on the results of three studies. The first two analyze the educational...

  17. Northern pipelines : challenges and needs

    Energy Technology Data Exchange (ETDEWEB)

    Dean, D.; Brownie, D. [ProLog Canada Inc., Calgary, AB (Canada); Fafara, R. [TransCanada PipeLines Ltd., Calgary, AB (Canada)

    2007-07-01

    Working Group 10 presented experiences acquired from the operation of pipeline systems in a northern environment. There are currently 3 pipelines operating north of 60, notably the Shiha gas pipeline near Fort Liard, the Ikhil gas pipeline in Inuvik and the Norman Wells oil pipeline. Each has its unique commissioning, operating and maintenance challenges, as well as specific training and logistical support requirements for the use of in-line inspection tools and other forms of integrity assessment. The effectiveness of cathodic protection systems in a permafrost northern environment was also discussed. It was noted that the delay of the Mackenzie Gas Pipeline Project by two to three years due to joint regulatory review may lead to resource constraints for the project as well as competition for already scarce human resources. The issue of a potential timing conflict with the Alaskan Pipeline Project was also addressed as well as land use issues for routing of supply roads. Integrity monitoring and assessment issues were outlined with reference to pipe soil interaction monitoring in discontinuous permafrost; south facing denuded slope stability; base lining projects; and reclamation issues. It was noted that automatic welding and inspection will increase productivity, while reducing the need for manual labour. In response to anticipated training needs, companies are planning to involve and train Aboriginal labour and will provide camp living conditions that will attract labour. tabs., figs.

  18. Identification of a Classical Mutant in the Industrial Host Aspergillus niger by Systems Genetics: LaeA Is Required for Citric Acid Production and Regulates the Formation of Some Secondary Metabolites

    DEFF Research Database (Denmark)

    Niu, Jing; Arentshorst, Mark; Nair, P. Deepa S.

    2015-01-01

    could provide new insights into the transcriptional control mechanisms related to citric acid production in A. niger. Interestingly, the secondary metabolite profile of a ΔlaeA strain differed from the wild-type strain, showing both decreased and increased metabolite levels, indicating that LaeA is also...

  19. Natural gas pipeline technology overview.

    Energy Technology Data Exchange (ETDEWEB)

    Folga, S. M.; Decision and Information Sciences

    2007-11-01

    The United States relies on natural gas for one-quarter of its energy needs. In 2001 alone, the nation consumed 21.5 trillion cubic feet of natural gas. A large portion of natural gas pipeline capacity within the United States is directed from major production areas in Texas and Louisiana, Wyoming, and other states to markets in the western, eastern, and midwestern regions of the country. In the past 10 years, increasing levels of gas from Canada have also been brought into these markets (EIA 2007). The United States has several major natural gas production basins and an extensive natural gas pipeline network, with almost 95% of U.S. natural gas imports coming from Canada. At present, the gas pipeline infrastructure is more developed between Canada and the United States than between Mexico and the United States. Gas flows from Canada to the United States through several major pipelines feeding U.S. markets in the Midwest, Northeast, Pacific Northwest, and California. Some key examples are the Alliance Pipeline, the Northern Border Pipeline, the Maritimes & Northeast Pipeline, the TransCanada Pipeline System, and Westcoast Energy pipelines. Major connections join Texas and northeastern Mexico, with additional connections to Arizona and between California and Baja California, Mexico (INGAA 2007). Of the natural gas consumed in the United States, 85% is produced domestically. Figure 1.1-1 shows the complex North American natural gas network. The pipeline transmission system--the 'interstate highway' for natural gas--consists of 180,000 miles of high-strength steel pipe varying in diameter, normally between 30 and 36 inches in diameter. The primary function of the transmission pipeline company is to move huge amounts of natural gas thousands of miles from producing regions to local natural gas utility delivery points. These delivery points, called 'city gate stations', are usually owned by distribution companies, although some are owned by

  20. Effort problem of chemical pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Okrajni, J.; Ciesla, M.; Mutwil, K. [Silesian Technical University, Katowice (Poland)

    1998-12-31

    The problem of the technical state assessment of the chemical pipelines working under mechanical and thermal loading has been shown in the paper. The pipelines effort after the long time operating period has been analysed. Material geometrical and loading conditions of the crack initiation and crack growth process in the chosen object has been discussed. Areas of the maximal effort have been determined. The material structure charges after the long time operating period have been described. Mechanisms of the crack initiation and crack growth in the pipeline elements have been analysed and mutual relations between the chemical and mechanical influences have been shown. (orig.) 16 refs.

  1. Pipeline technology. Petroleum oil - long-distance pipelines. Pipelinetechnik. Mineraloelfernleitungen

    Energy Technology Data Exchange (ETDEWEB)

    Krass, W; Kittel, A; Uhde, A

    1979-01-01

    All questions and concerns of pipeline technique are dealt with in detail. Some chapters can be applied for petroleum pipelines only or partly, for example the importance of petroleum pipelines, projecting, calculation, and operation. The sections of pipes and formings, laying, rights of way, and corrosion protection, accessories and remote effect technique, however, are of general interest, for example also for gas pipelines. In the chapter on working material, a very good summary of today's pipe working material including the thermomechanically treated steels is given. Besides methods of improving the toughness, the problems of the corrosion caused by strain cracking and the ways of avoiding it are pointed out. The pipe producing methods and, in the end of the chapter, the tests in the factory are explained. The section of laying deals with the laying methods being applied for years in pipeline construction, a big part referring to welding methods and tests. Active and passive corrosion protection are explained with all details. In addition to the solidity calculation presented with special regard to concerns of petroleum pipelines, theoretical fundaments and calculation methods for pressure are dealt with. Beside general questions of pumps, accessories, and drives, there is a section dealing with measurement and control techniques. Furthermore, remote effect and transmission techniques and news systems are explained in detail. Here, problems are referred to which are applicable not only to the operation of mineral oil pipelines. The book is completed by indications as to pipeline operation emphasizing general operation control, maintenance, repair methods and damage and their elimination. The last chapter contains a collection of the legal fundaments and the technical rules.

  2. Fishing intensity around the BBL pipeline

    NARCIS (Netherlands)

    Hintzen, Niels

    2016-01-01

    Wageningen Marine Research was requested by ACRB B.V. to investigate the fishing activities around the BBL pipeline. This gas pipeline crosses the southern North Sea from Balgzand (near Den Helder) in the Netherlands to Bacton in the UK (230km). This pipeline is abbreviated as the BBL pipeline. Part

  3. 77 FR 16471 - Pipeline Safety: Implementation of the National Registry of Pipeline and Liquefied Natural Gas...

    Science.gov (United States)

    2012-03-21

    ... Registry of Pipeline and Liquefied Natural Gas Operators AGENCY: Pipeline and Hazardous Materials Safety... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Parts... Register (75 FR 72878) titled: ``Pipeline Safety: Updates to Pipeline and Liquefied Natural Gas Reporting...

  4. Pipeline integrity handbook risk management and evaluation

    CERN Document Server

    Singh, Ramesh

    2013-01-01

    Based on over 40 years of experience in the field, Ramesh Singh goes beyond corrosion control, providing techniques for addressing present and future integrity issues. Pipeline Integrity Handbook provides pipeline engineers with the tools to evaluate and inspect pipelines, safeguard the life cycle of their pipeline asset and ensure that they are optimizing delivery and capability. Presented in easy-to-use, step-by-step order, Pipeline Integrity Handbook is a quick reference for day-to-day use in identifying key pipeline degradation mechanisms and threats to pipeline integrity. The book begins

  5. Logistics aspects of petroleum pipeline operations

    Directory of Open Access Journals (Sweden)

    W. J. Pienaar

    2010-11-01

    Full Text Available The paper identifies, assesses and describes the logistics aspects of the commercial operation of petroleum pipelines. The nature of petroleum-product supply chains, in which pipelines play a role, is outlined and the types of petroleum pipeline systems are described. An outline is presented of the nature of the logistics activities of petroleum pipeline operations. The reasons for the cost efficiency of petroleum pipeline operations are given. The relative modal service effectiveness of petroleum pipeline transport, based on the most pertinent service performance measures, is offered. The segments in the petroleum-products supply chain where pipelines can play an efficient and effective role are identified.

  6. Pipelines programming paradigms: Prefab plumbing

    International Nuclear Information System (INIS)

    Boeheim, C.

    1991-08-01

    Mastery of CMS Pipelines is a process of learning increasingly sophisticated tools and techniques that can be applied to your problem. This paper presents a compilation of techniques that can be used as a reference for solving similar problems

  7. Economic evaluation: wood stave pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Rook, M.E.

    The spray of leakage from the wood stave water supply pipeline serving the New England Power Company's (NEPCO) Searsburg hydroelectric development had caused this facility to be dubbed ''The Searsburg Car Wash.'' In July, 1982, excessive leakage from this pipeline prompted NEPCO to perform a technical inspection which would inform the company's decision to replace, repair, or abandon the pipeline. The inspection indicated that a combination of interrelated factors has led to rapid deterioration. The feasibility study, which included a benefit -cost analysis of a times replacement with a continued repair program weighed annually by a risk factor representing the probability of pipeline failure during the replacement period, determined that direct replacement was most advantageous. 4 figures, 1 figures.

  8. Pipeline robots with elastic elements

    Directory of Open Access Journals (Sweden)

    A. Matuliauskas

    2002-10-01

    Full Text Available In the article constructions of the pipeline robots with elastic elements are reviewed and the scheme of new original construction is presented. The mathematical models of a robot with one-dimensional vibration exciter with two degrees of freedom were developed and the equations of movement were formed and written. The mathematical model of the pipeline robot with circular elements is formed and its motion equations are presented.

  9. Optimal valve location in long oil pipelines

    OpenAIRE

    Grigoriev, A.; Grigorieva, N.V.

    2007-01-01

    We address the valve location problem, one of the basic problems in design of long oil pipelines. Whenever a pipeline is depressurized, the shutoff valves block the oil flow and seal the damaged part of the pipeline. Thus, the quantity of oil possibly contaminating the area around the pipeline is determined by the volume of the damaged section of the pipeline between two consecutive valves. Then, ecologic damage can be quantified by the amount of leaked oil and the environmental characteristi...

  10. Pipeline for Contraceptive Development

    Science.gov (United States)

    Blithe, Diana L.

    2016-01-01

    The high rates of unplanned pregnancy reflect unmet need for effective contraceptive methods for women, especially for individuals with health risks such as obesity, diabetes, hypertension, and other conditions that may contraindicate use of an estrogen-containing product. Improvements in safety, user convenience, acceptability and availability of products remain important goals of the contraceptive development program. Another important goal is to minimize the impact of the products on the environment. Development of new methods for male contraception has the potential to address many of these issues with regard to safety for women who have contraindications to effective contraceptive methods but want to protect against pregnancy. It also will address a huge unmet need for men who want to control their fertility. Products under development for men would not introduce eco-toxic hormones in the waste water. Investment in contraceptive research to identify new products for women has been limited in the pharmaceutical industry relative to investment in drug development for other indications. Pharmaceutical R&D for male contraception was active in the 1990’s but was abandoned over a decade ago. The Eunice Kennedy Shriver National Institute of Child Health and Human Development (NICHD) has supported a contraceptive development program since 1969. Through a variety of programs including research grants and contracts, NICHD has developed a pipeline of new targets/products for male and female contraception. A number of lead candidates are under evaluation in the NICHD Contraceptive Clinical Trials Network (CCTN) (1–3). PMID:27523300

  11. Crude oil pipeline expansion summary

    International Nuclear Information System (INIS)

    2005-02-01

    The Canadian Association of Petroleum Producers has been working with producers to address issues associated with the development of new pipeline capacity from western Canada. This document presents an assessment of the need for additional oil pipeline capacity given the changing mix of crude oil types and forecasted supply growth. It is of particular interest to crude oil producers and contributes to current available information for market participants. While detailed, the underlying analysis does not account for all the factors that may come into play when individual market participants make choices about which expansions they may support. The key focus is on the importance of timely expansion. It was emphasized that if pipeline expansions lags the crude supply growth, then the consequences would be both significant and unacceptable. Obstacles to timely expansion are also discussed. The report reviews the production and supply forecasts, the existing crude oil pipeline infrastructure, opportunities for new market development, requirements for new pipeline capacity and tolling options for pipeline development. tabs., figs., 1 appendix

  12. Solving an unpiggable pipeline challenge

    Energy Technology Data Exchange (ETDEWEB)

    Walker, James R. [GE Oil and Gas, PII Pipeline Solutions, Cramlington Northumberland (United Kingdom); Kern, Michael [National Grid, New Hampshire (United Kingdom)

    2009-07-01

    Technically, any pipeline can be retrofitted to enable in line inspection. Sensibly however, the expense of excavations and construction of permanent facilities have been, in many cases, exceedingly prohibitive. Even where traditional modifications are feasible from engineering perspectives, flow interruption may not be an option - either because they are critical supply lines or because the associated lost revenues could be nearly insurmountable. Savvy pipeline integrity managers know the safety issue that is at stake over the long term. They are also well aware of the accuracy benefits that high-quality in-line inspection data offer over potentially supply disruptive alternatives such as hydrostatic testing. To complicate matters further, many operators, particularly in the US, now face regulatory pressure to assess the integrity of their yet-uninspected pipelines located in highly populated areas. This paper describes an important project National Grid undertook that made use of a unique pipeline access method that did not require permanent installation of expensive facilities required for in line inspection of a pipeline previously considered 'unpiggable'. Since the pipeline was located in an urban area, flow disruption had to be minimized. This paper will define the project background, its challenges, outcomes and lessons learned for the future. (author)

  13. Sustainable management of leakage from wastewater pipelines.

    Science.gov (United States)

    DeSilva, D; Burn, S; Tjandraatmadja, G; Moglia, M; Davis, P; Wolf, L; Held, I; Vollertsen, J; Williams, W; Hafskjold, L

    2005-01-01

    Wastewater pipeline leakage is an emerging concern in Europe, especially with regards to the potential effect of leaking effluent on groundwater contamination and the effects infiltration has on the management of sewer reticulation systems. This paper describes efforts by Australia, in association with several European partners, towards the development of decision support tools to prioritize proactive rehabilitation of wastewater pipe networks to account for leakage. In the fundamental models for the decision support system, leakage is viewed as a function of pipeline system deterioration. The models rely on soil type identification across the service area to determine the aggressiveness of the pipe environment and for division of the area into zones based on pipe properties and operational conditions. By understanding the interaction between pipe materials, operating conditions, and the pipe environment in the mechanisms leading to pipe deterioration, the models allow the prediction of leakage rates in different zones across a network. The decision support system utilizes these models to predict the condition of pipes in individual zones, and to optimize the utilization of rehabilitation resources by targeting the areas with the highest leakage rates.

  14. 76 FR 28326 - Pipeline Safety: National Pipeline Mapping System Data Submissions and Submission Dates for Gas...

    Science.gov (United States)

    2011-05-17

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR 191... Reports AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT. ACTION: Issuance of... Pipeline and Hazardous Materials Safety Administration (PHMSA) published a final rule on November 26, 2010...

  15. 75 FR 45591 - Pipeline Safety: Notice of Technical Pipeline Safety Advisory Committee Meetings

    Science.gov (United States)

    2010-08-03

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part... Committee Meetings AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA); DOT. ACTION... safety standards, risk assessments, and safety policies for natural gas pipelines and for hazardous...

  16. 77 FR 36606 - Pipeline Safety: Government/Industry Pipeline Research and Development Forum, Public Meeting

    Science.gov (United States)

    2012-06-19

    ...: Threat Prevention --Working Group 2: Leak Detection/Mitigation & Storage --Working Group 3: Anomaly... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID PHMSA-2012-0146] Pipeline Safety: Government/Industry Pipeline Research and Development Forum, Public...

  17. Gathering pipeline methane emissions in Fayetteville shale pipelines and scoping guidelines for future pipeline measurement campaigns

    Directory of Open Access Journals (Sweden)

    Daniel J. Zimmerle

    2017-11-01

    Full Text Available Gathering pipelines, which transport gas from well pads to downstream processing, are a sector of the natural gas supply chain for which little measured methane emissions data are available. This study performed leak detection and measurement on 96 km of gathering pipeline and the associated 56 pigging facilities and 39 block valves. The study found one underground leak accounting for 83% (4.0 kg CH4/hr of total measured emissions. Methane emissions for the 4684 km of gathering pipeline in the study area were estimated at 402 kg CH4/hr [95 to 1065 kg CH4/hr, 95% CI], or 1% [0.2% to 2.6%] of all methane emissions measured during a prior aircraft study of the same area. Emissions estimated by this study fall within the uncertainty range of emissions estimated using emission factors from EPA’s 2015 Greenhouse Inventory and study activity estimates. While EPA’s current inventory is based upon emission factors from distribution mains measured in the 1990s, this study indicates that using emission factors from more recent distribution studies could significantly underestimate emissions from gathering pipelines. To guide broader studies of pipeline emissions, we also estimate the fraction of the pipeline length within a basin that must be measured to constrain uncertainty of pipeline emissions estimates to within 1% of total basin emissions. The study provides both substantial insight into the mix of emission sources and guidance for future gathering pipeline studies, but since measurements were made in a single basin, the results are not sufficiently representative to provide methane emission factors at the regional or national level.

  18. Impacts of space weather and space climate on pipeline network operations

    Science.gov (United States)

    Trichtchenko, Larisa

    2014-05-01

    The geomagnetic fluctuations are accompanied by geo-electric (telluric) field and telluric currents at the surface of the Earth and in the pipelines. These currents interfere with pipeline corrosion protection, creating pipe-to-soil potential (PSP) fluctuations. It impacts pipeline operations in two ways. One is that non-disturbed "true" level of the protection is not known, which might lead to the wrong conclusions that a pipeline coating is damaged and digging out the section of the pipeline is needed. The other effect is changes in the electrical conditions in the pipeline-soil interface, compromising the corrosion protection and possibly causing enhancement of the corrosion. The global trend for construction of more pipelines in northern regions means placing them into areas where natural geomagnetic variations are larger and consequently telluric activity is more extreme, in comparison with pipelines located further south. This paper describes the solutions implemented as the result of the two projects done by NRCan researchers led by the author on request from pipeline companies. Two methods were proposed and implemented to address the problems. One is the statistical estimation of the telluric activity in the area of the planned pipelines. These statistical considerations then used as guidance in the design of corrosion protection systems to counteract the excessive corrosion. The other, to deal with the corrupted results during the pipeline surveys, is to forecast the geomagnetic storms for proper planning of the surveys. In addition, the developed telluric activity identification tool can be used in the analysis of the corrupted survey data.

  19. Evaluation of satellite technology for pipeline route surveillance and the prevention of third party interference damage

    Energy Technology Data Exchange (ETDEWEB)

    Palmer-Jones, Roland; Hopkins, Phil [Penspen Integrity, Newcastle upon Tyne (United Kingdom)]. E-mail: r.palmer-jones@penspen.com; p.hopkins@penspen.com; Fraser, Andy [Integrated Statistical Solutions (United States)]. E-mail: andy@issquared.co.uk; Dezobry, Jerome [Gas de France, Paris (France)]. E-mail: jerome.dezobry@gazdefrance.com; Merrienboer, Hugo Van [Gasunie, Groningen (Netherlands)]. E-mail: H.A.M.van.Merrienboer@gasunie.nl

    2003-07-01

    The damage caused by Third Party Interference (TPI) is one of the major causes of pipeline failures. Consequently, new technologies for identifying activities that may cause damage to our pipelines are constantly being developed. A recently completed project sponsored by a number of pipeline operators has investigated the use of high-resolution satellites for the integrity management of onshore transmission pipelines. The sponsors were BG Technology (on behalf of Transco), Dansk Olie NatureGas, Gasunie, BP, Gaz de France, Distrigas, and the Health and Safety Executive. The project started with a general review of the satellite technologies available and their potential. The study was then focussed on the identification of activities that might result in damage to the pipeline and the potential of high-resolution optical satellites in identifying hazardous activities. A key element of the study was a comparison with existing surveillance systems, which generally involve regular aerial patrols of the pipeline route. To achieve this a survey was carried out to try and evaluate the costs and benefits of existing systems. In addition a simple model for analysing the cost benefit of pipeline surveillance was constructed, and a functional specification for a surveillance system drafted. Finally the performance of the IKONOS 2 high-resolution satellite system was tested in a controlled experiment using targets placed along a pipeline route. The results of this test were compared with a similar test of helicopter-based surveillance carried out by one of the sponsors. (author)

  20. 77 FR 45417 - Pipeline Safety: Inspection and Protection of Pipeline Facilities After Railway Accidents

    Science.gov (United States)

    2012-07-31

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... Accidents AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA); DOT. [[Page 45418

  1. New territory for NGL pipelines

    International Nuclear Information System (INIS)

    Turner, C.L.; Billings, F.E.

    1994-01-01

    Even though the NGL pipeline industry appears mature, new geographic territory exists for expansion of NGL pipelines. However, the most fertile territory that must be pursued is the collective opportunities to better link the existing NGL industry. Associations like the Gas Processors Association can not perform the role demanded by a need to share information between the links of the chain on a more real time basis. The Association can not substitute for picking up the phone or calling a meeting of industry participants to discuss proposed changes in policies and procedures. All stakeholders must participate in squeezing out the inefficiencies of the industry. Some expansion and extension of NGL pipelines will occur in the future without ownership participation or commitments from the supply and demand businesses. However, significant expansions linking new supply sources and demand markets will only be made as the supply and demand businesses share long-term strategies and help define the pipeline opportunity. The successful industries of the twenty-first century will not be dominated by a single profitable sector, but rather by those industries which foster cooperation as well as competition. A healthy NGL industry will be comprised of profitable supply businesses and profitable demand businesses, linked together by profitable pipeline businesses

  2. Detection of fenspiride and identification of in vivo metabolites in horse body fluids by capillary gas chromatography-mass spectrometry: administration, biotransformation and urinary excretion after a single oral dose.

    Science.gov (United States)

    Dumasia, M C; Houghton, E; Hyde, W; Greulich, D; Nelson, T; Peterson, Jackie

    2002-02-05

    Studies related to the in vivo biotransforrmation and urinary excretion of fenspiride hydrochloride in the horse are described. After oral administration, the drug is metabolised by both phase I functionalisation and phase II conjugation pathways. Following enzymatic deconjugation, fenspiride and its phase I metabolites were isolated from post-administration biofluids using bonded co-polymeric mixed mode solid-phase extraction cartridges to isolate the basic compounds. Following trimethylsilylation (TMS), the parent drug and metabolites were identified by capillary gas chromatography-mass spectrometry (GC-MS). Fenspiride (A) and seven metabolites (B-->G) arising from oxidation on both the aromatic and heterocyclic substructures were detected in urine. The positive ion electron ionisation mass spectra of the TMS derivatives of fenspiride and its metabolites provided useful information on its metabolism. Positive ion methane chemical ionisation-GC-MS of the derivatives provided both derivatised molecular mass and structural information. Unchanged fenspiride can be detected in post-administration plasma and urine samples for up to 24 h. Maximum urinary levels of 100-200 ng ml(-1) were observed between 3 and 5 h after administration. After enzymatic deconjugation, the major phenolic metabolite (G) can be detected in urine for up to 72 h. This metabolite is the analyte of choice in the GC-MS screening of post-race equine urine samples for detection of fenspiride use. However, a distinct difference was observed in the urinary excretion of this metabolite between the thoroughbred horses used in UK study and the quarterbred and standardbred horses used for the USA administrations.

  3. Environmental audit guidelines for pipelines

    International Nuclear Information System (INIS)

    1991-01-01

    Environmental auditing is a form of management control which provides an objective basis by which a company can measure the degree of compliance with environmental regulations. Other benefits of this type of auditing include improved environmental management, furthering communication on environmental issues of concern within the company, and provision of documentation on environmental diligence. A series of environmental audit guidelines for pipelines is presented in the form of lists of questions to be asked during an environmental audit followed by recommended actions in response to those questions. The questions are organized into seven main categories: environmental management and planning; operating procedures; spill prevention; management of wastes and hazardous materials; environmental monitoring; construction of pipelines; and pipeline abandonment, decommissioning and site reclamation

  4. Emergency preparedness of OSBRA Pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Magalhaes, Milton P.; Torres, Carlos A.R.; Almeida, Francisco J.C. [TRANSPETRO, Rio de Janeiro, RJ (Brazil)

    2009-07-01

    This paper presents the experience of PETROBRAS Transporte S. A. - TRANSPETRO in the preparation for emergencies in the OSBRA pipeline, showing specific aspects and solutions developed. The company has a standardized approach for the emergency management, based on risk analysis studies, risk management plan and contingency plans. To cover almost 1,000 km of pipeline, the Company avails of Emergency Response Centers and Environmental Defense Center, located at strategic points. In order to achieve preparation, fire fighting training and oil leakage elimination training are provided. Additionally, simulation exercises are performed, following a schedule worked out according to specific criteria and guidelines. As a conclusion, a picture is presented of the evolution of the preparation for emergencies in the OSBRA System which bears the enormous responsibility of transporting flammable products for almost 1,000 km of pipeline, crossing 40 municipalities, 3 states and the Federal District. (author)

  5. Yeast synthetic biology for high-value metabolites.

    Science.gov (United States)

    Dai, Zhubo; Liu, Yi; Guo, Juan; Huang, Luqi; Zhang, Xueli

    2015-02-01

    Traditionally, high-value metabolites have been produced through direct extraction from natural biological sources which are inefficient, given the low abundance of these compounds. On the other hand, these high-value metabolites are usually difficult to be synthesized chemically, due to their complex structures. In the last few years, the discovery of genes involved in the synthetic pathways of these metabolites, combined with advances in synthetic biology tools, has allowed the construction of increasing numbers of yeast cell factories for production of these metabolites from renewable biomass. This review summarizes recent advances in synthetic biology in terms of the use of yeasts as microbial hosts for the identification of the pathways involved in the synthesis, as well as for the production of high-value metabolites. © FEMS 2015. All rights reserved. For permissions, please e-mail: journals.permission@oup.com.

  6. Metabolism of Lutein and Zeaxanthin in Rhesus Monkeys: Identification of (3R,6′R)- and (3R,6′S)-3′-Dehydro-lutein as Common Metabolites and Comparison to Humans

    Science.gov (United States)

    Albert, Gesa I.; Hoeller, Ulrich; Schierle, Joseph; Neuringer, Martha; Johnson, Elizabeth J.; Schalch, Wolfgang

    2012-01-01

    Lutein and zeaxanthin are xanthophylls that can be found highly concentrated in the macula of the retina. They are thought to protect the macula through their role as blue-light filters and because of their antioxidant and singlet oxygen quenching properties. Examination of metabolites unique to lutein and zeaxanthin such as 3′-dehydro-lutein, and of their stereochemistry may provide insight to the mechanism by which they are formed and by which they exert protection. To evaluate the formation of such metabolites, eleven monkeys were raised on a xanthophyll-free diet, and supplemented with pure lutein or pure zeaxanthin (2.2 mg/kg body weight/d). The period of supplementation ranged between 12 to 92 weeks. At study start and throughout the study, serum samples were taken and analyzed for xanthophylls using different HPLC systems. Xanthophyll metabolites were identified using UV/VIS and HR-MS detection. Lutein and zeaxanthin metabolites were found in detectable amounts with 3′-dehydro-lutein being a common metabolite of both. Using chiral-phase HPLC, two diastereomers, (3R,6′R)-3′-dehydro-lutein and (3R,6′S)-3′-dehydro-lutein, were identified and shown to be present in nearly equimolar amounts. A pathway for their formation from either lutein or zeaxanthin is proposed. These finding were comparable to results obtained with human plasma. PMID:18582588

  7. Study of biofilm in bacteria from water pipelines.

    Science.gov (United States)

    Mahapatra, Ashoka; Padhi, Nupur; Mahapatra, Dharitri; Bhatt, Mamta; Sahoo, Debasish; Jena, Swetlina; Dash, Debabrata; Chayani, Nirupama

    2015-03-01

    A biofilm is a layer of microorganisms contained in a matrix (slime layer), which forms on surfaces in contact with water. Their presence in drinking water pipe networks can be responsible for a wide range of water quality and operational problems. To identify the bacterial isolates, obtained from water pipelines of kitchens, to evaluate the water quality & to study the biofilm producing capacity of the bacterial isolates from various sources. A prospective study using water samples from aqua guard & pipelines to kitchens of S.C.B Medical College hostels. Standard biochemical procedures for bacterial identification, multiple tube culture & MPN count to evaluate water quality & tissue culture plate (TCP) method for biofilm detection was followed. STATA software version 9.2 from STATA Corporation, College station road, 90 Houston, Texas was used for statistical analysis. One hundred eighty seven isolates were obtained from 45 water samples cultured. The isolates were Acinetobacter spp. (44), Pseudomonas spp.(41), Klebsiella spp.(36) & others . Biofilm was detected in (37) 19.78 % of the isolates (95% CI 30.08% -43.92%) including Acinetobacter spp.-10, Klebsiella spp. - 9, Pseudomonas spp. - 9, & others, majority (34) of which were from kitchen pipelines. Water from pipeline sources was unsatisfactory for consumption as the MPN counts were > 10. Most of the biofilm producers were gram negative bacilli & Pseudomonas & Acinetobacter spp. were strong (4+) biofilm producers.

  8. 77 FR 51848 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2012-08-27

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... Program for Gas Distribution Pipelines. DATES: Interested persons are invited to submit comments on or.... These regulations require operators of hazardous liquid pipelines and gas pipelines to develop and...

  9. 78 FR 5866 - Pipeline Safety: Annual Reports and Validation

    Science.gov (United States)

    2013-01-28

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID PHMSA-2012-0319] Pipeline Safety: Annual Reports and Validation AGENCY: Pipeline and Hazardous Materials... 2012 gas transmission and gathering annual reports, remind pipeline owners and operators to validate...

  10. 77 FR 74275 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2012-12-13

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No.... These regulations require operators of hazardous liquid pipelines and gas pipelines to develop and... control room. Affected Public: Operators of both natural gas and hazardous liquid pipeline systems. Annual...

  11. 77 FR 27279 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2012-05-09

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... collections relate to the pipeline integrity management requirements for gas transmission pipeline operators... Management in High Consequence Areas Gas Transmission Pipeline Operators. OMB Control Number: 2137-0610...

  12. 78 FR 46560 - Pipeline Safety: Class Location Requirements

    Science.gov (United States)

    2013-08-01

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part... class location requirements for gas transmission pipelines. Section 5 of the Pipeline Safety, Regulatory... and, with respect to gas transmission pipeline facilities, whether applying IMP requirements to...

  13. 75 FR 53733 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2010-09-01

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2010-0246] Pipeline Safety: Information Collection Activities AGENCY: Pipeline and Hazardous... liquefied natural gas, hazardous liquid, and gas transmission pipeline systems operated by a company. The...

  14. 77 FR 46155 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2012-08-02

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... collections relate to the pipeline integrity management requirements for gas transmission pipeline operators... Management in High Consequence Areas Gas Transmission Pipeline Operators. OMB Control Number: 2137-0610...

  15. 77 FR 15453 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2012-03-15

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... information collection titled, ``Gas Pipeline Safety Program Certification and Hazardous Liquid Pipeline... collection request that PHMSA will be submitting to OMB for renewal titled, ``Gas Pipeline Safety Program...

  16. pipelines cathodic protection design methodologies for impressed

    African Journals Online (AJOL)

    HOD

    oil and gas pipelines corrosion in the United State of. American alone ... or preventing external corrosion of pipeline steels and other metallic .... 2.1 Materials and Impressed Current Design. Carbon steel ..... Research Analysis, Vol. 2, pp 2277 ...

  17. Natural disasters and the gas pipeline system.

    Science.gov (United States)

    1996-11-01

    Episodic descriptions are provided of the effects of the Loma Prieta earthquake (1989) on the gas pipeline systems of Pacific Gas & Electric Company and the Cit of Palo Alto and of the Northridge earthquake (1994) on Southern California Gas' pipeline...

  18. 75 FR 63774 - Pipeline Safety: Safety of On-Shore Hazardous Liquid Pipelines

    Science.gov (United States)

    2010-10-18

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part... Pipelines AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), Department of... Gas Pipeline Safety Act of 1968, Public Law 90-481, delegated to DOT the authority to develop...

  19. 77 FR 61825 - Pipeline Safety: Notice of Public Meeting on Pipeline Data

    Science.gov (United States)

    2012-10-11

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID... program performance measures for gas distribution, gas transmission, and hazardous liquids pipelines. The... distribution pipelines (49 CFR 192.1007(e)), gas transmission pipelines (49 CFR 192.945) and hazardous liquids...

  20. California Natural Gas Pipelines: A Brief Guide

    Energy Technology Data Exchange (ETDEWEB)

    Neuscamman, Stephanie [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Price, Don [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Pezzola, Genny [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Glascoe, Lee [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2013-01-22

    The purpose of this document is to familiarize the reader with the general configuration and operation of the natural gas pipelines in California and to discuss potential LLNL contributions that would support the Partnership for the 21st Century collaboration. First, pipeline infrastructure will be reviewed. Then, recent pipeline events will be examined. Selected current pipeline industry research will be summarized. Finally, industry acronyms are listed for reference.

  1. Fishing activity near offshore pipelines, 2017

    NARCIS (Netherlands)

    Machiels, Marcel

    2018-01-01

    On the North Sea bottom lie numerous pipelines to link oil- or gas offshore drilling units, - platforms and processing stations on land. Although pipeline tubes are coated and covered with protective layers, the pipelines risk being damaged through man-made hazards like anchor dropping and fishing

  2. Elasticplastic dynamic analysis of pipelines

    International Nuclear Information System (INIS)

    Veloso Filho, D.; Loula, A.F.D.; Guerreiro, J.N.C.

    1982-01-01

    A model for structural analysis of spatial pipelines constituted by material with perfect elastoplastic behavior and submmited to time dependence stress is presented. The spatial discretization is done using the Finite Element method, and for the time integration of movement equations an stable finite difference algorithm is used. (E.G.) [pt

  3. Chaos characteristics and least squares support vector machines based online pipeline small leakages detection

    International Nuclear Information System (INIS)

    Liu, Jinhai; Su, Hanguang; Ma, Yanjuan; Wang, Gang; Wang, Yuan; Zhang, Kun

    2016-01-01

    Small leakages are severe threats to the long distance pipeline transportation. An online small leakage detection method based on chaos characteristics and Least Squares Support Vector Machines (LS-SVMs) is proposed in this paper. For the first time, the relationship between the chaos characteristics of pipeline inner pressures and the small leakages is investigated and applied in the pipeline detection method. Firstly, chaos in the pipeline inner pressure is found. Relevant chaos characteristics are estimated by the nonlinear time series analysis package (TISEAN). Then LS-SVM with a hybrid kernel is built and named as hybrid kernel LS-SVM (HKLS-SVM). It is applied to analyze the chaos characteristics and distinguish the negative pressure waves (NPWs) caused by small leaks. A new leak location method is also expounded. Finally, data of the chaotic Logistic-Map system is used in the simulation. A comparison between HKLS-SVM and other methods, in terms of the identification accuracy and computing efficiency, is made. The simulation result shows that HKLS-SVM gets the best performance and is effective in error analysis of chaotic systems. When real pipeline data is used in the test, the ultimate identification accuracy of HKLS-SVM reaches 97.38% and the position accuracy is 99.28%, indicating that the method proposed in this paper has good performance in detecting and locating small pipeline leaks.

  4. Transportable hyperpolarized metabolites

    Science.gov (United States)

    Ji, Xiao; Bornet, Aurélien; Vuichoud, Basile; Milani, Jonas; Gajan, David; Rossini, Aaron J.; Emsley, Lyndon; Bodenhausen, Geoffrey; Jannin, Sami

    2017-01-01

    Nuclear spin hyperpolarization of 13C-labelled metabolites by dissolution dynamic nuclear polarization can enhance the NMR signals of metabolites by several orders of magnitude, which has enabled in vivo metabolic imaging by MRI. However, because of the short lifetime of the hyperpolarized magnetization (typically <1 min), the polarization process must be carried out close to the point of use. Here we introduce a concept that markedly extends hyperpolarization lifetimes and enables the transportation of hyperpolarized metabolites. The hyperpolarized sample can thus be removed from the polarizer and stored or transported for use at remote MRI or NMR sites. We show that hyperpolarization in alanine and glycine survives 16 h storage and transport, maintaining overall polarization enhancements of up to three orders of magnitude. PMID:28072398

  5. Customer service drives pipelines' reorganization

    International Nuclear Information System (INIS)

    Share, J.

    1997-01-01

    The concept behind formation of Enron Transportation and Storage tells plenty about this new gas industry. When executives at the Enron Gas Pipeline Group considered plans last year to streamline operations by merging the support functions of Transwestern Pipeline and their other wholly owned pipeline company, Northern Natural Gas, seamless customer service was foremost on their agenda. Instead of worrying about whether employees would favor one pipeline over the other, perhaps to the detriment of customers, they simply created a new organization that everyone would swear the same allegiance to. The 17,000-mile, 4.1 Bcf/d Northern system serves the upper Midwest market and two major expansion projects were completed there last year. Transwestern is a 2,700-mile system with an eastward capacity of 1 Bcf/d and westward of 1.5 Bcf/, that traditionally served California markets. It also ties into Texas intrastate markets and, thanks to expansion of the San Juan lateral, to southern Rocky Mountain supplies. Although Enron Corp. continues to position itself as a full-service energy company, the Gas Pipeline Group continues to fuel much of corporate's net income, which was $584 million last year. With ET and S comprising a significant portion of GPG's income, it was vital that the merger of Northern's 950 employees with Transwestern's 250 indeed be a seamless one. It was not easy either psychologically or geographically with main offices in Omaha, NE and Houston as well as operations centers in Minneapolis, MN; Amarillo, TX; W. Des Moines, IA; and Albuquerque, NM. But the results have been gratifying, according to William R. Cordes, President of ET and S and Nancy L. Gardner, Executive Vice President of Strategic Initiatives

  6. Identification of the Metabolic Enzyme Involved Morusin Metabolism and Characterization of Its Metabolites by Ultraperformance Liquid Chromatography Quadrupole Time-of-Flight Mass Spectrometry (UPLC/Q-TOF-MS/MS

    Directory of Open Access Journals (Sweden)

    Xianbao Shi

    2016-01-01

    Full Text Available Morusin, the important active component of a traditional Chinese medicine, Morus alba L., has been shown to exhibit many vital pharmacological activities. In this study, six recombinant CYP450 supersomes and liver microsomes were used to perform metabolic studies. Chemical inhibition studies and screening assays with recombinant human cytochrome P450s were also used to characterize the CYP450 isoforms involved in morusin metabolism. The morusin metabolites identified varied greatly among different species. Eight metabolites of morusin were detected in the liver microsomes from pigs (PLMs, rats (RLMs, and monkeys (MLMs by LC-MS/MS and six metabolites were detected in the liver microsomes from humans (HLMs, rabbits (RAMs, and dogs (DLMs. Four metabolites (M1, M2, M5, and M7 were found in all species and hydroxylation was the major metabolic transformation. CYP1A2, CYP2C9, CYP2D6, CYP2E1, CYP3A4, and CYP2C19 contributed differently to the metabolism of morusin. Compared to other CYP450 isoforms, CYP3A4 played the most significant role in the metabolism of morusin in human liver microsomes. These results are significant to better understand the metabolic behaviors of morusin among various species.

  7. Markov chain modelling of pitting corrosion in underground pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Caleyo, F. [Departamento de Ingenieri' a Metalurgica, ESIQIE, IPN, UPALM Edif. 7, Zacatenco, Mexico D. F. 07738 (Mexico)], E-mail: fcaleyo@gmail.com; Velazquez, J.C. [Departamento de Ingenieri' a Metalurgica, ESIQIE, IPN, UPALM Edif. 7, Zacatenco, Mexico D. F. 07738 (Mexico); Valor, A. [Facultad de Fisica, Universidad de La Habana, San Lazaro y L, Vedado, 10400 La Habana (Cuba); Hallen, J.M. [Departamento de Ingenieri' a Metalurgica, ESIQIE, IPN, UPALM Edif. 7, Zacatenco, Mexico D. F. 07738 (Mexico)

    2009-09-15

    A continuous-time, non-homogenous linear growth (pure birth) Markov process has been used to model external pitting corrosion in underground pipelines. The closed form solution of Kolmogorov's forward equations for this type of Markov process is used to describe the transition probability function in a discrete pit depth space. The identification of the transition probability function can be achieved by correlating the stochastic pit depth mean with the deterministic mean obtained experimentally. Monte-Carlo simulations previously reported have been used to predict the time evolution of the mean value of the pit depth distribution for different soil textural classes. The simulated distributions have been used to create an empirical Markov chain-based stochastic model for predicting the evolution of pitting corrosion depth and rate distributions from the observed properties of the soil. The proposed model has also been applied to pitting corrosion data from pipeline repeated in-line inspections and laboratory immersion experiments.

  8. Markov chain modelling of pitting corrosion in underground pipelines

    International Nuclear Information System (INIS)

    Caleyo, F.; Velazquez, J.C.; Valor, A.; Hallen, J.M.

    2009-01-01

    A continuous-time, non-homogenous linear growth (pure birth) Markov process has been used to model external pitting corrosion in underground pipelines. The closed form solution of Kolmogorov's forward equations for this type of Markov process is used to describe the transition probability function in a discrete pit depth space. The identification of the transition probability function can be achieved by correlating the stochastic pit depth mean with the deterministic mean obtained experimentally. Monte-Carlo simulations previously reported have been used to predict the time evolution of the mean value of the pit depth distribution for different soil textural classes. The simulated distributions have been used to create an empirical Markov chain-based stochastic model for predicting the evolution of pitting corrosion depth and rate distributions from the observed properties of the soil. The proposed model has also been applied to pitting corrosion data from pipeline repeated in-line inspections and laboratory immersion experiments.

  9. Calculation of NPP pipeline seismic stability

    International Nuclear Information System (INIS)

    Kirillov, A.P.; Ambriashvili, Yu.K.; Kaliberda, I.V.

    1982-01-01

    A simplified design procedure of seismic pipeline stability of NPP at WWER reactor is described. The simplified design procedure envisages during the selection and arrangement of pipeline saddle and hydraulic shock absorbers use of method of introduction of resilient mountings of very high rigidity into the calculated scheme of the pipeline and performance of calculations with step-by-step method. It is concluded that the application of the design procedure considered permits to determine strains due to seismic loads, to analyze stressed state in pipeline elements and supporting power of pipe-line saddle with provision for seismic loads to plan measures on seismic protection

  10. Oil pipeline valve automation for spill reduction

    Energy Technology Data Exchange (ETDEWEB)

    Mohitpour, Mo; Trefanenko, Bill [Enbridge Technology Inc, Calgary (Canada); Tolmasquim, Sueli Tiomno; Kossatz, Helmut [TRANSPETRO - PETROBRAS Transporte S.A., Rio de Janeiro, RJ (Brazil)

    2003-07-01

    Liquid pipeline codes generally stipulate placement of block valves along liquid transmission pipelines such as on each side of major river crossings where environmental hazards could cause or are foreseen to potentially cause serious consequences. Codes, however, do not stipulate any requirement for block valve spacing for low vapour pressure petroleum transportation, nor for remote pipeline valve operations to reduce spills. A review of pipeline codes for valve requirement and spill limitation in high consequence areas is thus presented along with a criteria for an acceptable spill volume that could be caused by pipeline leak/full rupture. A technique for deciding economically and technically effective pipeline block valve automation for remote operation to reduce oil spilled and control of hazards is also provided. In this review, industry practice is highlighted and application of the criteria for maximum permissible oil spill and the technique for deciding valve automation thus developed, as applied to ORSUB pipeline is presented. ORSUB is one of the three initially selected pipelines that have been studied. These pipelines represent about 14% of the total length of petroleum transmission lines operated by PETROBRAS Transporte S.A. (TRANSPETRO) in Brazil. Based on the implementation of valve motorization on these three pipeline, motorization of block valves for remote operation on the remaining pipelines is intended, depending on the success of these implementations, on historical records of failure and appropriate ranking. (author)

  11. Russia: the pipeline diplomacy; Russie: la diplomatie du pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Bourdillon, Y

    2005-01-15

    First world producer of oil and gas, Russia wishes to use its mastery of energy distribution to recover its great power status. The oil and gas pipelines network is the basement used by Russia to build up its hegemony in Europe. The Russian oil and gas companies are also carrying out a long-term strategy of international expansion, in particular thanks to investments in the neighboring countries for the building of new infrastructures or the purchase of oil refineries. (J.S.)

  12. Arctic pipeline planning design, construction, and equipment

    CERN Document Server

    Singh, Ramesh

    2013-01-01

    Utilize the most recent developments to combat challenges such as ice mechanics. The perfect companion for engineers wishing to learn state-of-the-art methods or further develop their knowledge of best practice techniques, Arctic Pipeline Planning provides a working knowledge of the technology and techniques for laying pipelines in the coldest regions of the world. Arctic Pipeline Planning provides must-have elements that can be utilized through all phases of arctic pipeline planning and construction. This includes information on how to: Solve challenges in designing arctic pipelines Protect pipelines from everyday threats such as ice gouging and permafrost Maintain safety and communication for construction workers while supporting typical codes and standards Covers such issues as land survey, trenching or above ground, environmental impact of construction Provides on-site problem-solving techniques utilized through all phases of arctic pipeline planning and construction Is packed with easy-to-read and under...

  13. Canadian pipeline contractors in holding pattern

    Energy Technology Data Exchange (ETDEWEB)

    Caron, G [Pe Ben Pipelines Ltd.; Osadchuk, V; Sharp, M; Stabback, J G

    1979-05-21

    A discussion of papers presented at a Pipe Line Contractors Association of Canada convention includes comments by G. Caron (Pe Ben Pipelines Ltd.) on the continued slack in big-inch pipeline construction into 1980 owing mainly to delayed U.S. and Canadian decisions on outstanding Alaska Highway gas pipeline issues and associated gas export bids and on the use of automatic welding for expeditious construction of the northern sections of the Alaska Highway pipeline; by V. Osadchuk (Majestic Wiley Contract. Ltd.) on the liquidation of surplus construction equipment because of these delays; by M. Sharp (Can. North. Pipeline Agency) on the need for close U.S. and Canadian governmental and industrial cooperation to permit an early 1980 start for construction of the prebuild sections of the Alaska pipeline; and by J. G. Stabback (Can. Natl. Energy Board) on the Alaska oil pipeline applications by Foothills Pipe Lines Ltd., Trans Mountain Pipe Line Co. Ltd., and Kitimat Pipe Line Ltd.

  14. Secondary metabolites from Ganoderma.

    Science.gov (United States)

    Baby, Sabulal; Johnson, Anil John; Govindan, Balaji

    2015-06-01

    Ganoderma is a genus of medicinal mushrooms. This review deals with secondary metabolites isolated from Ganoderma and their biological significance. Phytochemical studies over the last 40years led to the isolation of 431 secondary metabolites from various Ganoderma species. The major secondary compounds isolated are (a) C30 lanostanes (ganoderic acids), (b) C30 lanostanes (aldehydes, alcohols, esters, glycosides, lactones, ketones), (c) C27 lanostanes (lucidenic acids), (d) C27 lanostanes (alcohols, lactones, esters), (e) C24, C25 lanostanes (f) C30 pentacyclic triterpenes, (g) meroterpenoids, (h) farnesyl hydroquinones (meroterpenoids), (i) C15 sesquiterpenoids, (j) steroids, (k) alkaloids, (l) prenyl hydroquinone (m) benzofurans, (n) benzopyran-4-one derivatives and (o) benzenoid derivatives. Ganoderma lucidum is the species extensively studied for its secondary metabolites and biological activities. Ganoderma applanatum, Ganoderma colossum, Ganoderma sinense, Ganoderma cochlear, Ganoderma tsugae, Ganoderma amboinense, Ganoderma orbiforme, Ganoderma resinaceum, Ganoderma hainanense, Ganoderma concinna, Ganoderma pfeifferi, Ganoderma neo-japonicum, Ganoderma tropicum, Ganoderma australe, Ganoderma carnosum, Ganoderma fornicatum, Ganoderma lipsiense (synonym G. applanatum), Ganoderma mastoporum, Ganoderma theaecolum, Ganoderma boninense, Ganoderma capense and Ganoderma annulare are the other Ganoderma species subjected to phytochemical studies. Further phytochemical studies on Ganoderma could lead to the discovery of hitherto unknown biologically active secondary metabolites. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Glucuronidation of deoxynivalenol (DON) by different animal species: identification of iso-DON glucuronides and iso-deepoxy-DON glucuronides as novel DON metabolites in pigs, rats, mice, and cows.

    Science.gov (United States)

    Schwartz-Zimmermann, Heidi E; Hametner, Christian; Nagl, Veronika; Fiby, Iris; Macheiner, Lukas; Winkler, Janine; Dänicke, Sven; Clark, Erica; Pestka, James J; Berthiller, Franz

    2017-12-01

    The Fusarium mycotoxin deoxynivalenol (DON) is a frequent contaminant of cereal-based food and feed. Mammals metabolize DON by conjugation to glucuronic acid (GlcAc), the extent and regioselectivity of which is species-dependent. So far, only DON-3-glucuronide (DON-3-GlcAc) and DON-15-GlcAc have been unequivocally identified as mammalian DON glucuronides, and DON-7-GlcAc has been proposed as further DON metabolite. In the present work, qualitative HPLC-MS/MS analysis of urine samples of animals treated with DON (rats: 2 mg/kg bw, single bolus, gavage; mice: 1 mg/kg bw, single i.p. injection; pigs: 74 µg/kg bw, single bolus, gavage; cows: 5.2 mg DON/kg dry mass, oral for 13 weeks) revealed additional DON and deepoxy-DON (DOM) glucuronides. To elucidate their structures, DON and DOM were incubated with human (HLM) and rat liver microsomes (RLM). Besides the expected DON/DOM-3- and 15-GlcAc, minor amounts of four DON- and four DOM glucuronides were formed. Isolation and enzymatic hydrolysis of four of these compounds yielded iso-DON and iso-DOM, the identities of which were eventually confirmed by NMR. Incubation of iso-DON and iso-DOM with RLM and HLM yielded two main glucuronides for each parent compound, which were isolated and identified as iso-DON/DOM-3-GlcAc and iso-DON/DOM-8-GlcAc by NMR. Iso-DON-3-GlcAc, most likely misidentified as DON-7-GlcAc in the literature, proved to be a major DON metabolite in rats and a minor metabolite in pigs. In addition, iso-DON-8-GlcAc turned out to be one of the major DON metabolites in mice. DOM-3-GlcAc was the dominant DON metabolite in urine of cows and an important DON metabolite in rat urine. Iso-DOM-3-GlcAc was detected in urine of DON-treated rats and cows. Finally, DON-8,15-hemiketal-8-glucuronide, a previously described by-product of DON-3-GlcAc production by RLM, was identified in urine of DON-exposed mice and rats. The discovery of several novel DON-derived glucuronides in animal urine requires adaptation of

  16. Pipeline system for gas centrifuge

    International Nuclear Information System (INIS)

    Masumoto, Tsutomu; Umezawa, Sadao.

    1977-01-01

    Purpose: To enable effective operation for the gas centrifuge cascade system upon failures in the system not by interrupting the operation of all of the centrifuges in the system but by excluding only the failed centrifuges. Constitution: A plurality of gas centrifuges are connected by way of a pipeline and an abnormal detector for the automatic detection of abnormality such as destruction in a vacuum barrel and loss of vacuum is provided to each of the centrifuges. Bypass lines for short-circuitting adjacent centrifuges are provided in the pipelines connecting the centrifuges. Upon generation of abnormality in a centrifuge, a valve disposed in the corresponding bypass is automatically closed or opened by a signal from the abnormal detector to change the gas flow to thereby exclude the centrifuge in abnormality out of the system. This enables to effectively operate the system without interrupting the operation for the entire system. (Moriyama, K.)

  17. Oil pipeline performance review, 1990

    International Nuclear Information System (INIS)

    1990-01-01

    This paper reviews the environmental performance of Canadian oil pipelines in spill prevention and control in 1990 and compares it with that in 1989. In 1990, in-service length of the systems reporting increased to 34,907 km. Traffic volume was 235 million m 3 . Failures dropped 16% from 1989 to 36. Equipment failures accounted for 47%, corrosion for 22% and operational error for 19% of the failures. Repair, damage and clean-up costs were considerably higher at $5,302,000, of which one external corrosion failure contributed $4,500,000. The average spill size was 130 m 3 with 72 m 3 recovered for a 55.4% recovery rate. No injuries resulted from the failures. An 11 year statistical summary of oil pipeline performance data is included. 3 figs., 5 tabs

  18. Nova Gas's pipeline to Asia

    International Nuclear Information System (INIS)

    Lea, N.

    1996-01-01

    The involvement of the Calgary-based company NOVA Gas International (NGI) in Malaysia's peninsular gas utilization (PGU) project, was described. Phase I and II of the project involved linking onshore gas processing plants with a natural gas transmission system. Phase III of the PGU project was a gas transmission pipeline that began midway up the west coast of peninsular Malaysia to the Malaysia-Thailand border. The complex 549 km pipeline included route selection, survey and soil investigation, archaeological study, environmental impact assessment, land acquisition, meter-station construction, telecommunication systems and office buildings. NGI was the prime contractor on the project through a joint venture with OGP Technical Services, jointly owned by NGI and Petronas, the Thai state oil company. Much of NGI's success was attributed to excellent interpersonal skills, particularly NGI's ability to build confidence and credibility with its Thai partners

  19. Lowering of pipeline in the Peloneas's Beach and mechanical protection of pipeline in main and secondary piers; Rebaixamento de dutos na Praia das Peloneas e protecao mecanica de dutos nos piers principal e secundario

    Energy Technology Data Exchange (ETDEWEB)

    Teixeira, Ana Paula da Silva M.; Basilio, Kenia Afonso [PLANAVE, Rio de Janeiro, RJ (Brazil)

    2003-07-01

    The growing concern of PETROBRAS with the environmental protection aspects is intimately related with the need of developing preventive works of protection to the pipelines of the company. A study was accomplished in the pipelines inside the Guanabara Bay, whose goals was divided in three parts: identification of the risk areas for the pipelines; determination of the minimum depth of burying of the pipelines so that the risk in appreciation is minimized; identification of the areas in that the burying or a complemental burying make herself necessary. The study went based on to theory of conservation of energy, being admitted the non preservative embarkation system, and in the theory of the elasticity. For such a commercial program of finite elements was used. With base in the limits foreseen in the study, two critical areas of the Guanabara Bay were considered, which already suffered intervention with lowering. (author)

  20. Shore approach of Camarupim pipeline

    Energy Technology Data Exchange (ETDEWEB)

    Bernardi, Tiaraju P.; Oliveira Neto, Vasco A. de; Siqueira, Jakson [Petroleo Brasileiro S.A. (PETROBRAS), Rio de Janeiro, RJ (Brazil)

    2009-07-01

    Camarupim Field is located in the northern portion of Espirito Santo Basin and was discovered from the drilling of the well 1-ESS-164 in 2006. It is a gas field which start of the production is in mid of 2009. The production unit will be a FPSO (Floating Production, Storage and Offloading) and the gas will flow through a pipeline with diameter ranging from 12 inches and 24 inches with approximately 60 km long, from the FPSO Cidade de Sao Mateus to UTGC (Unit for Treatment of Gas Cacimbas-Linhares-ES). The FPSO will have processing capacity of 10MMm3/day of gas. Due to the approach of the pipeline in the continental portion, located in an environmental protection area and place of spawning of sea turtles, the connection between the stretch of sea and land pipeline running through a shore approach, known and proven technique of horizontal directional drilling about 950m in length. This paper will be shown the assumptions adopted, the technique employed, the challenges faced by the team and the lessons learned to build the directional hole. (author)

  1. In vitro biosynthesis, isolation, and identification of predominant metabolites of 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one (RVX-208).

    Science.gov (United States)

    Khmelnitsky, Yuri L; Mozhaev, Vadim V; Cotterill, Ian C; Michels, Peter C; Boudjabi, Sihem; Khlebnikov, Vladimir; Madhava Reddy, M; Wagner, Gregory S; Hansen, Henrik C

    2013-06-01

    The structures of the two predominant metabolites (M4 and M5) of RVX-208, observed both in in vitro human and animal liver microsomal incubations, as well as in plasma from animal in vivo studies, were determined. A panel of biocatalytic systems was tested to identify biocatalysts suitable for milligram scale production of metabolite M4 from RVX-208. Rabbit liver S9 fraction was selected as the most suitable system, primarily based on pragmatic metrics such as catalyst cost and estimated yield of M4 (∼55%). Glucuronidation of RVX-208 catalyzed by rabbit liver S9 fraction was optimized to produce M4 in amounts sufficient for structural characterization. Structural studies using LC/MS/MS analysis and (1)H NMR spectroscopy showed the formation of a glycosidic bond between the primary hydroxyl group of RVX-208 and glucuronic acid. NMR results suggested that the glycosidic bond has the β-anomeric configuration. A synthetic sample of M4 confirmed the proposed structure. Metabolite M5, hypothesized to be the carboxylate of RVX-208, was prepared using human liver microsomes, purified by HPLC, and characterized by LC/MS/MS and (1)H NMR. The structure was confirmed by comparison to a synthetic sample. Both samples confirmed M5 as a product of oxidation of primary hydroxyl group of RVX-208 to carboxylic acid. Copyright © 2013 Elsevier Masson SAS. All rights reserved.

  2. Metabolites identification of harmane in vitro/in vivo in rats by ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry.

    Science.gov (United States)

    Li, Shuping; Liu, Wei; Teng, Liang; Cheng, Xuemei; Wang, Zhengtao; Wang, Changhong

    2014-04-01

    Harmane, a β-carboline alkaloid with a wide spectrum of pharmacological activities, is naturally present in the human diet, in numerous foodstuffs and in hallucinogenic plants such as Peganum harmala, Banisteriopsis caapi and Tribulus terrestris. However, the precise metabolic fate of harmane remains unknown. In order to know whether harmane is extensively metabolized, a rapid and sensitive method using ultra-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight tandem mass spectrometry (UPLC/ESI-QTOF-MS) was used to analyze the metabolic profile of harmane in vitro and in vivo in rats. A total of 21 metabolites were identified from the rat liver microsomes and rat liver S9 (9), rat urine (11), feces (16), bile (16), and plasma (10) after a single oral administration of harmane using MetaboLynx™ and MassFragment ™ software tools. It indicated that the biliary and faecal clearance were the major excretion routes for harmane as well as its metabolites. The specific CLogP values combined with different acidic and alkaline mobile phase were helpful and useful for distinguishing N-oxidation and monohydroxylation metabolites. The metabolic transformation pathways of harmane included monohydroxylation, dihydroxylation, N-oxidation, O-glucuronide conjugation, O-sulphate conjugation, and glutathione conjugation. In conclusion, this study showed an insight into the metabolism of harmane. Copyright © 2014 Elsevier B.V. All rights reserved.

  3. Screening and identification of metabolites of two kinds of main active ingredients and hepatotoxic pyrrolizidine alkaloids in rat after lavage Farfarae Flos extract by UHPLC-Q-TOF-MS mass spectrometry.

    Science.gov (United States)

    Cheng, Xiaoye; Liao, Man; Diao, Xinpeng; Sun, Yupeng; Zhang, Lantong

    2018-02-01

    Farfarae Flos, the dried flower buds of Tussilago farfara L., is usually used to treat coughs, bronchitic and asthmatic conditions as an important traditional Chinese medicine. Tussilagone and methl butyric acid tussilagin ester are seen as representatives of two kinds of active substances. In addition, the pyrrolizidine alkaloids, mainly senkirkine and senecionine, present in the herb can be hepatoxic. In this study, a rapid and sensitive ultra-high-performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry method was successfully applied to identify the metabolites of tussilagone, methl butyric acid tussilagin ester, senkirkine and senecionine. A total of 35, 37, 18 and nine metabolites of tussilagone, methl butyric acid tussilagin ester, senkirkine and senecionine in rats were tentatively identified. Hydrolysis, oxidation, reduction and demethylation were the major metabolic reactions for tussilagone and methl butyric acid tussilagin ester. The main biotransformation routes of senkirkine and senecionine were identified as demethylation, N-methylation, oxidation and reduction. This study is the first reported analysis and characterization of the metabolites and the proposed metabolic pathways might provide further understanding of the metabolic fate of the chemical constituents after oral administration of Farfarae Flos extract in vivo. Copyright © 2017 John Wiley & Sons, Ltd.

  4. Metabolite Damage and Metabolite Damage Control in Plants

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, Andrew D. [Horticultural Sciences Department and; Henry, Christopher S. [Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois 60439, email:; Computation Institute, University of Chicago, Chicago, Illinois 60637; Fiehn, Oliver [Genome Center, University of California, Davis, California 95616, email:; de Crécy-Lagard, Valérie [Microbiology and Cell Science Department, University of Florida, Gainesville, Florida 32611, email: ,

    2016-04-29

    It is increasingly clear that (a) many metabolites undergo spontaneous or enzyme-catalyzed side reactions in vivo, (b) the damaged metabolites formed by these reactions can be harmful, and (c) organisms have biochemical systems that limit the buildup of damaged metabolites. These damage-control systems either return a damaged molecule to its pristine state (metabolite repair) or convert harmful molecules to harmless ones (damage preemption). Because all organisms share a core set of metabolites that suffer the same chemical and enzymatic damage reactions, certain damage-control systems are widely conserved across the kingdoms of life. Relatively few damage reactions and damage-control systems are well known. Uncovering new damage reactions and identifying the corresponding damaged metabolites, damage-control genes, and enzymes demands a coordinated mix of chemistry, metabolomics, cheminformatics, biochemistry, and comparative genomics. This review illustrates the above points using examples from plants, which are at least as prone to metabolite damage as other organisms.

  5. Circulating prostacyclin metabolites in the dog

    International Nuclear Information System (INIS)

    Taylor, B.M.; Shebuski, R.J.; Sun, F.F.

    1983-01-01

    The present study was designed to determine the concentration of prostacyclin (PGI2) metabolites in the blood of the dog. After a bolus i.v. dose of [11 beta- 3 H]PGI2 (5 micrograms/kg) into each of five dogs, blood samples were withdrawn at 0.33, 0.67, 1, 3, 5, 20, 30, 60 and 120 min postdrug administration. Plasma samples were extracted and the radioactive components were analyzed by two-dimensional thin-layer chromatography with autoradiofluorography and radio-high-performance liquid chromatography. The compounds were identified by comparing their mobility with synthetic standards; only parallel responses observed in both tests constituted positive identification. Seven metabolites were identified by these two techniques: 6-keto-prostaglandin (PG)F1 alpha; 6-keto-PGE1; 2,3-dinor-6-keto-PGF 1 alpha; 2,3-dinor-13,14-dihydro-6,15-diketo-20-carboxyl PGF 1 alpha; and 2,3,18,19-tetranor-13,14-dihydro-6,15-diketo-20-carboxyl PGF 1 alpha. Several additional compounds, both polar and nonpolar in nature, which did not co-chromatograph with any of our standards were also detected. Early samples consisted predominantly of 6-keto-PGF 1 alpha and other 20-carbon metabolites. By 30 min, the predominant metabolites were the 16- and 18-carbon dicarboxylic acids. By 60 min, 85% of the radioactivity was associated with two unidentified polar compounds. The evidence suggests that 6-keto-PGF 1 alpha probably reflects only the transient levels of freshly entering PGI2 in the circulation, whereas levels of the most polar metabolites (e.g., dihydro-diketo-carboxyl tetranor-PGF 2 alpha) may be a better measure of the overall PGI2 presence due to its longer half-life in circulation

  6. Multi-level access control in the data pipeline of the international supply chain system

    NARCIS (Netherlands)

    Pruksasri, P.; Berg, J. van den; Hofman, W.; Daskapan, S.

    2013-01-01

    The Seamless Integrated Data Pipeline system was proposed to the European Union in order to overcome the information quality shortcomings of the current international supply chain information exchange systems. Next to identification and authorization of stakeholders, secure access control needs to

  7. Secondary Metabolites from Higher Fungi: Discovery, Bioactivity, and Bioproduction

    Science.gov (United States)

    Zhong, Jian-Jiang; Xiao, Jian-Hui

    Medicinal higher fungi such as Cordyceps sinensis and Ganoderma lucidum have been used as an alternative medicine remedy to promote health and longevity for people in China and other regions of the world since ancient times. Nowadays there is an increasing public interest in the secondary metabolites of those higher fungi for discovering new drugs or lead compounds. Current research in drug discovery from medicinal higher fungi involves a multifaceted approach combining mycological, biochemical, pharmacological, metabolic, biosynthetic and molecular techniques. In recent years, many new secondary metabolites from higher fungi have been isolated and are more likely to provide lead compounds for new drug discovery, which may include chemopreventive agents possessing the bioactivity of immunomodulatory, anticancer, etc. However, numerous challenges of secondary metabolites from higher fungi are encountered including bioseparation, identification, biosynthetic metabolism, and screening model issues, etc. Commercial production of secondary metabolites from medicinal mushrooms is still limited mainly due to less information about secondary metabolism and its regulation. Strategies for enhancing secondary metabolite production by medicinal mushroom fermentation include two-stage cultivation combining liquid fermentation and static culture, two-stage dissolved oxygen control, etc. Purification of bioactive secondary metabolites, such as ganoderic acids from G. lucidum, is also very important to pharmacological study and future pharmaceutical application. This review outlines typical examples of the discovery, bioactivity, and bioproduction of secondary metabolites of higher fungi origin.

  8. Improved FTA methodology and application to subsea pipeline reliability design.

    Science.gov (United States)

    Lin, Jing; Yuan, Yongbo; Zhang, Mingyuan

    2014-01-01

    An innovative logic tree, Failure Expansion Tree (FET), is proposed in this paper, which improves on traditional Fault Tree Analysis (FTA). It describes a different thinking approach for risk factor identification and reliability risk assessment. By providing a more comprehensive and objective methodology, the rather subjective nature of FTA node discovery is significantly reduced and the resulting mathematical calculations for quantitative analysis are greatly simplified. Applied to the Useful Life phase of a subsea pipeline engineering project, the approach provides a more structured analysis by constructing a tree following the laws of physics and geometry. Resulting improvements are summarized in comparison table form.

  9. Development of high productivity pipeline girth welding

    International Nuclear Information System (INIS)

    Yapp, David; Liratzis, Theocharis

    2010-01-01

    The trend for increased oil and gas consumption implies a growth of long-distance pipeline installations. Welding is a critical factor in the installation of pipelines, both onshore and offshore, and the rate at which the pipeline can be laid is generally determined by the speed of welding. This has resulted in substantial developments in pipeline welding techniques. Arc welding is still the dominant process used in practice, and forge welding processes have had limited successful application to date, in spite of large investments in process development. Power beam processes have also been investigated in detail and the latest laser systems now show promise for practical application. In recent years the use of high strength steels has substantially reduced the cost of pipeline installation, with X70 and X80 being commonly used. This use of high strength pipeline produced by thermomechanical processing has also been researched. They must all meet three requirments, high productivity, satisfactory weld properties, and weld quality

  10. Pipelines, inexpensive and safe mode of transport

    Energy Technology Data Exchange (ETDEWEB)

    Grover, D D

    1979-01-01

    Pipelines are the leading bulk commodity transporter and should play an even more important role in the future of energy transportation and distribution. As fossil fuel and low-cost uranium resources become depleted, it will be economical to produce hydrogen by electrolysis and transport it through underground pipelines to points of consumption. The cost would be only two to three times that of transporting natural gas per unit of heat energy and substantially less than the cost of transporting electric energy in overhead, extra-high-voltage transmission lines. Pipeline design, including economic pipe diameter; pipe material; operation by remote control and automation; cathodic protection; pipeline construction; and pipeline maintenance, particularly as regards the 1157 km long Oil India Pipeline, are discussed.

  11. Submarine pipelines and the North Sea environment

    International Nuclear Information System (INIS)

    Haldane, D.; Paul, M.A.; Reuben, R.L.; Side, J.C.

    1992-01-01

    The function and design of pipelines for use on the United Kingdom continental shelf are described. Environmental influences which can threaten the integrity of seabed pipelines in the North Sea include hydrodynamic forces due to residual, tidal and wave currents, the nature of seabed sediments and corrosion by seawater. Damage may be caused to pipelines by interaction with vessel anchors and with fishing gear. Special care has to be taken over the selection of the general area for the landfall of a pipeline and the engineering of the installation where the pipeline comes ashore. Trenching and other protection techniques for pipelines are discussed together with hydrostatic testing and commissioning and subsequent inspection, maintenance and repair. (UK)

  12. Sea water pipeline for nuclear power plant

    International Nuclear Information System (INIS)

    Ueno, Ken-ichi.

    1992-01-01

    Heating coils, for example, are wound around sea water pipelines as a heater. The outer wall surface of the sea water pipelines is heated by the heating coils. The inner wall surfaces of the sea water pipelines can be warmed to higher than a predetermined temperature by heating the outer wall surfaces to die out marine organisms deposited at the inner surfaces. Further, thermocouples for the external wall and the internal wall are disposed so that the temperature at the inner wall surface of the sea water pipelines can be controlled. Further, a temperature keeping material is disposed at the external surface of the sea water system pipelines. With such a constitution, the marine organisms deposited on the internal wall surface of the sea water system pipelines are died out to suppress the deposition amount of the marine organisms. Accordingly, the maintenance and the operation reliability is improved after maintenance. (I.N.)

  13. Oxidative metabolites of lycopene and their biological functions

    Science.gov (United States)

    To gain a better understanding of the beneficial biological activities of lycopene on cancer prevention, a greater knowledge of the metabolism of lycopene is needed. In particular, the identification of lycopene metabolites and oxidation products in vivo; the importance of tissue specific lycopene c...

  14. Development and Applications of Pipeline Steel in Long-Distance Gas Pipeline of China

    Science.gov (United States)

    Chunyong, Huo; Yang, Li; Lingkang, Ji

    In past decades, with widely utilizing of Microalloying and Thermal Mechanical Control Processing (TMCP) technology, the good matching of strength, toughness, plasticity and weldability on pipeline steel has been reached so that oil and gas pipeline has been greatly developed in China to meet the demand of strong domestic consumption of energy. In this paper, development history of pipeline steel and gas pipeline in china is briefly reviewed. The microstructure characteristic and mechanical performance of pipeline steel used in some representative gas pipelines of china built in different stage are summarized. Through the analysis on the evolution of pipeline service environment, some prospective development trend of application of pipeline steel in China is also presented.

  15. Measures for security and supervision of pipelines; Massnahmen zur Pipeline-Sicherheit und -Ueberwachung

    Energy Technology Data Exchange (ETDEWEB)

    Horlacher, Hans-Burkhard [TU Dresden (Germany). Inst. fuer Wasserbau und Technische Hydromechanik; Giesecke, Juergen [Stuttgart Univ. (Germany). Inst. fuer Wasserbau

    2010-07-01

    In a previous publication, the two authors dealt with the hydraulic problems as regards mineral oil pipelines. The present report describes the measures mainly used to guarantee the safety of such pipelines. (orig.)

  16. Lessons Learned from Developing and Operating the Kepler Science Pipeline and Building the TESS Science Pipeline

    Science.gov (United States)

    Jenkins, Jon M.

    2017-01-01

    The experience acquired through development, implementation and operation of the KeplerK2 science pipelines can provide lessons learned for the development of science pipelines for other missions such as NASA's Transiting Exoplanet Survey Satellite, and ESA's PLATO mission.

  17. Strength analysis of copper gas pipeline span

    OpenAIRE

    Ianevski, Philipp

    2016-01-01

    The purpose of the study was to analyze the stresses in a gas pipeline. While analyzing piping systems located inside building were used. Calculation of the strength of a gas pipeline is done by using information of the thickness of pipe walls, by choosing the suitable material, inner and outer diameter for the pipeline. Data for this thesis was collected through various internet sources and different books. From the study and research, the final results were reached and calculations were ...

  18. Preliminary results from the hierarchical glitch pipeline

    International Nuclear Information System (INIS)

    Mukherjee, Soma

    2007-01-01

    This paper reports on the preliminary results obtained from the hierarchical glitch classification pipeline on LIGO data. The pipeline that has been under construction for the past year is now complete and end-to-end tested. It is ready to generate analysis results on a daily basis. The details of the pipeline, the classification algorithms employed and the results obtained with one days analysis on the gravitational wave and several auxiliary and environmental channels from all three LIGO detectors are discussed

  19. Pipeline dreams face up to reality

    International Nuclear Information System (INIS)

    Ryan, Orla

    1999-01-01

    This article gives details of two gas pipelines which are expected to be built in Turkey to meet the estimated demand for gas. The Bluestream joint ENI/Gasprom project pipeline will convey Russian gas across the Black Sea to Turkey, and the PSG joint Bechtel/General Electric venture will bring gas from Turkmenistan to Turkey across the Caspian Sea. Construction of the pipelines and financing aspects are discussed. (uk)

  20. Chile's pipelines - who's out in the cold?

    International Nuclear Information System (INIS)

    Bellhouse, G.

    1998-01-01

    There is a battle on in Northern Chile to supply the region with gas and electricity. Two pipelines and a transmission line are being built, but there is insufficient demand to merit the construction of all of these projects. It is widely believed that the first pipeline to be finished will be the overall winner, but the situation is not that simple. A more sensible conclusion could be the merger of the two pipeline projects, rationalising supply of gas to the region. (Author)

  1. New possibilities for non-destructive testing of pipelines with intelligent pigs

    Energy Technology Data Exchange (ETDEWEB)

    Willems, H.; Jaskolla, B.; Barbian, O.A. [NDT Systems and Services, Stutensee (Germany); Niese, F. [Institut fuer zerstoerungsfreie Pruefverfahren, Saarbruecken (Germany)

    2009-07-01

    Pipelines are considered to be the safest way for transportation of large amounts of liquid and gas over large distances. In the course of the lifetime of a pipeline, however, many effects can lead to damages affecting the integrity of the line, e.g. manufacturing-related anomalies, operationally induced anomalies or third-party damage. In order to avoid pipeline failures with potentially catastrophic consequences so-called intelligent pigs (or smart pigs) were developed during the last decades: These tools allow for the internal inspection (In-Line Inspection, ILI) of pipelines using non-destructive testing technologies for the early detection and sizing of defects. Most common are magnetic flux leakage (MFL) and ultrasonic techniques for corrosion inspection and the latter also for crack inspection. While the ultrasonic techniques offer superior sizing capabilities they are limited to the inspection of liquid pipelines where the medium itself provides the necessary coupling between the (piezoelectric) ultrasonic transducers and the pipe wall. However, this limitation can be overcome by recent developments using EMAT (Electro-Magnetic Acoustic Transducer) technology. By a special sensor design, the EMAT inspection is combined with eddy current (EC) inspection and MFL inspection at the same time. As a result, this new multi-technology approach offers improved sizing as well as enhanced feature identification for wall thickness inspection of gas pipelines. (orig.)

  2. Characterization of corrosive bacterial consortia isolated from petroleum-product-transporting pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Rajasekar, Aruliah; Ting, Yen-Peng [National Univ. of Singapore (Singapore). Dept. of Chemical and Biomolecular Engineering; Anandkumar, Balakrishnan [Sourashtra Coll., Madurai (India). Dept. of Biotechnology; Maruthamuthu, Sundaram [Central Electrochemical Research Inst., Karaikudi (India). Biocorrosion Group; Rahman, Pattanathu K.S.M. [Teesside Univ., Tees Valley (United Kingdom). Chemical and Bioprocess Engineering Group

    2010-01-15

    Microbiologically influenced corrosion is a problem commonly encountered in facilities in the oil and gas industries. The present study describes bacterial enumeration and identification in diesel and naphtha pipelines located in the northwest and southwest region in India, using traditional cultivation technique and 16S rDNA gene sequencing. Phylogenetic analysis of 16S rRNA sequences of the isolates was carried out, and the samples obtained from the diesel and naphtha-transporting pipelines showed the occurrence of 11 bacterial species namely Serratia marcescens ACE2, Bacillus subtilis AR12, Bacillus cereus ACE4, Pseudomonas aeruginosa AI1, Klebsiella oxytoca ACP, Pseudomonas stutzeri AP2, Bacillus litoralis AN1, Bacillus sp., Bacillus pumilus AR2, Bacillus carboniphilus AR3, and Bacillus megaterium AR4. Sulfate-reducing bacteria were not detected in samples from both pipelines. The dominant bacterial species identified in the petroleum pipeline samples were B. cereus and S. marcescens in the diesel and naphtha pipelines, respectively. Therefore, several types of bacteria may be involved in biocorrosion arising from natural biofilms that develop in industrial facilities. In addition, localized (pitting) corrosion of the pipeline steel in the presence of the consortia was observed by scanning electron microscopy analysis. The potential role of each species in biofilm formation and steel corrosion is discussed. (orig.)

  3. The PREP Pipeline: Standardized preprocessing for large-scale EEG analysis

    Directory of Open Access Journals (Sweden)

    Nima eBigdelys Shamlo

    2015-06-01

    Full Text Available The technology to collect brain imaging and physiological measures has become portable and ubiquitous, opening the possibility of large-scale analysis of real-world human imaging. By its nature, such data is large and complex, making automated processing essential. This paper shows how lack of attention to the very early stages of an EEG preprocessing pipeline can reduce the signal-to-noise ratio and introduce unwanted artifacts into the data, particularly for computations done in single precision. We demonstrate that ordinary average referencing improves the signal-to-noise ratio, but that noisy channels can contaminate the results. We also show that identification of noisy channels depends on the reference and examine the complex interaction of filtering, noisy channel identification, and referencing. We introduce a multi-stage robust referencing scheme to deal with the noisy channel-reference interaction. We propose a standardized early-stage EEG processing pipeline (PREP and discuss the application of the pipeline to more than 600 EEG datasets. The pipeline includes an automatically generated report for each dataset processed. Users can download the PREP pipeline as a freely available MATLAB library from http://eegstudy.org/prepcode/.

  4. The PREP pipeline: standardized preprocessing for large-scale EEG analysis.

    Science.gov (United States)

    Bigdely-Shamlo, Nima; Mullen, Tim; Kothe, Christian; Su, Kyung-Min; Robbins, Kay A

    2015-01-01

    The technology to collect brain imaging and physiological measures has become portable and ubiquitous, opening the possibility of large-scale analysis of real-world human imaging. By its nature, such data is large and complex, making automated processing essential. This paper shows how lack of attention to the very early stages of an EEG preprocessing pipeline can reduce the signal-to-noise ratio and introduce unwanted artifacts into the data, particularly for computations done in single precision. We demonstrate that ordinary average referencing improves the signal-to-noise ratio, but that noisy channels can contaminate the results. We also show that identification of noisy channels depends on the reference and examine the complex interaction of filtering, noisy channel identification, and referencing. We introduce a multi-stage robust referencing scheme to deal with the noisy channel-reference interaction. We propose a standardized early-stage EEG processing pipeline (PREP) and discuss the application of the pipeline to more than 600 EEG datasets. The pipeline includes an automatically generated report for each dataset processed. Users can download the PREP pipeline as a freely available MATLAB library from http://eegstudy.org/prepcode.

  5. Thermal expansion absorbing structure for pipeline

    International Nuclear Information System (INIS)

    Nagata, Takashi; Yamashita, Takuya.

    1995-01-01

    A thermal expansion absorbing structure for a pipeline is disposed to the end of pipelines to form a U-shaped cross section connecting a semi-circular torus shell and a short double-walled cylindrical tube. The U-shaped longitudinal cross-section is deformed in accordance with the shrinking deformation of the pipeline and absorbs thermal expansion. Namely, since the central lines of the outer and inner tubes of the double-walled cylindrical tube deform so as to incline, when the pipeline is deformed by thermal expansion, thermal expansion can be absorbed by a simple configuration thereby enabling to contribute to ensure the safety. Then, the entire length of the pipeline can greatly be shortened by applying it to the pipeline disposed in a high temperature state compared with a method of laying around a pipeline using only elbows, which has been conducted so far. Especially, when it is applied to a pipeline for an FBR-type reactor, the cost for the construction of a facility of a primary systems can greater be reduced. In addition, it can be applied to a pipeline for usual chemical plants and any other structures requiring absorption of deformation. (N.H.)

  6. Transmission pipeline calculations and simulations manual

    CERN Document Server

    Menon, E Shashi

    2014-01-01

    Transmission Pipeline Calculations and Simulations Manual is a valuable time- and money-saving tool to quickly pinpoint the essential formulae, equations, and calculations needed for transmission pipeline routing and construction decisions. The manual's three-part treatment starts with gas and petroleum data tables, followed by self-contained chapters concerning applications. Case studies at the end of each chapter provide practical experience for problem solving. Topics in this book include pressure and temperature profile of natural gas pipelines, how to size pipelines for specified f

  7. Acoustic system for communication in pipelines

    Science.gov (United States)

    Martin, II, Louis Peter; Cooper, John F [Oakland, CA

    2008-09-09

    A system for communication in a pipe, or pipeline, or network of pipes containing a fluid. The system includes an encoding and transmitting sub-system connected to the pipe, or pipeline, or network of pipes that transmits a signal in the frequency range of 3-100 kHz into the pipe, or pipeline, or network of pipes containing a fluid, and a receiver and processor sub-system connected to the pipe, or pipeline, or network of pipes containing a fluid that receives said signal and uses said signal for a desired application.

  8. Tubular lining material for pipelines having bends

    Energy Technology Data Exchange (ETDEWEB)

    Moringa, A.; Sakaguchi, Y.; Hyodo, M.; Yagi, I.

    1987-03-24

    A tubular lining material for pipelines having bends or curved portions comprises a tubular textile jacket made of warps and wefts woven in a tubular form overlaid with a coating of a flexible synthetic resin. It is applicable onto the inner surface of a pipeline having bends or curved portions in such manner that the tubular lining material with a binder onto the inner surface thereof is inserted into the pipeline and allowed to advance within the pipeline, with or without the aid of a leading rope-like elongated element, while turning the tubular lining material inside out under fluid pressure. In this manner the tubular lining material is applied onto the inner surface of the pipeline with the binder being interposed between the pipeline and the tubular lining material. The lining material is characterized in that a part of all of the warps are comprised of an elastic yarn around which, over the full length thereof, a synthetic fiber yarn or yarns have been left-and/or right-handedly coiled. This tubular lining material is particularly suitable for lining a pipeline having an inner diameter of 25-200 mm and a plurality of bends, such as gas service pipelines or house pipelines, without occurrence of wrinkles in the lining material in a bend.

  9. A quick guide to pipeline engineering

    CERN Document Server

    Alkazraji, D

    2008-01-01

    Pipeline engineering requires an understanding of a wide range of topics. Operators must take into account numerous pipeline codes and standards, calculation approaches, and reference materials in order to make accurate and informed decisions.A Quick Guide to Pipeline Engineering provides concise, easy-to-use, and accessible information on onshore and offshore pipeline engineering. Topics covered include: design; construction; testing; operation and maintenance; and decommissioning.Basic principles are discussed and clear guidance on regulations is provided, in a way that will

  10. East, West German gas pipeline grids linked

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    This paper reports that Ruhrgas AG, Essen, has started up the first large diameter gas pipeline linking the gas grids of former East and West Germany. Ruhrgas last month placed in service a 40 in., 70 km line at Vitzeroda, near Eisenach, linking a new Ruhrgas pipeline in Hesse state with a 330 km gas pipeline built last year in Thuringia and Saxony states by Erdgasversorgungs GmbH (EVG), Leipzig. The new link enables pipeline operator EVG to receive 70 bcf/year of western European gas via Ruhrgas, complementing the 35 bcf/year of gas coming from the Commonwealth of Independent States via Verbundnetz Gas AG (VNG), Leipzig

  11. Identification of a Classical Mutant in the Industrial Host Aspergillus niger by Systems Genetics: LaeA Is Required for Citric Acid Production and Regulates the Formation of Some Secondary Metabolites

    Directory of Open Access Journals (Sweden)

    Jing Niu

    2016-01-01

    Full Text Available The asexual filamentous fungus Aspergillus niger is an important industrial cell factory for citric acid production. In this study, we genetically characterized a UV-generated A. niger mutant that was originally isolated as a nonacidifying mutant, which is a desirable trait for industrial enzyme production. Physiological analysis showed that this mutant did not secrete large amounts of citric acid and oxalic acid, thus explaining the nonacidifying phenotype. As traditional complementation approaches to characterize the mutant genotype were unsuccessful, we used bulk segregant analysis in combination with high-throughput genome sequencing to identify the mutation responsible for the nonacidifying phenotype. Since A. niger has no sexual cycle, parasexual genetics was used to generate haploid segregants derived from diploids by loss of whole chromosomes. We found that the nonacidifying phenotype was caused by a point mutation in the laeA gene. LaeA encodes a putative methyltransferase-domain protein, which we show here to be required for citric acid production in an A. niger lab strain (N402 and in other citric acid production strains. The unexpected link between LaeA and citric acid production could provide new insights into the transcriptional control mechanisms related to citric acid production in A. niger. Interestingly, the secondary metabolite profile of a ΔlaeA strain differed from the wild-type strain, showing both decreased and increased metabolite levels, indicating that LaeA is also involved in regulating the production of secondary metabolites. Finally, we show that our systems genetics approach is a powerful tool to identify trait mutations.

  12. Identification of a Classical Mutant in the Industrial Host Aspergillus niger by Systems Genetics: LaeA Is Required for Citric Acid Production and Regulates the Formation of Some Secondary Metabolites.

    Science.gov (United States)

    Niu, Jing; Arentshorst, Mark; Nair, P Deepa S; Dai, Ziyu; Baker, Scott E; Frisvad, Jens C; Nielsen, Kristian F; Punt, Peter J; Ram, Arthur F J

    2015-11-13

    The asexual filamentous fungus Aspergillus niger is an important industrial cell factory for citric acid production. In this study, we genetically characterized a UV-generated A. niger mutant that was originally isolated as a nonacidifying mutant, which is a desirable trait for industrial enzyme production. Physiological analysis showed that this mutant did not secrete large amounts of citric acid and oxalic acid, thus explaining the nonacidifying phenotype. As traditional complementation approaches to characterize the mutant genotype were unsuccessful, we used bulk segregant analysis in combination with high-throughput genome sequencing to identify the mutation responsible for the nonacidifying phenotype. Since A. niger has no sexual cycle, parasexual genetics was used to generate haploid segregants derived from diploids by loss of whole chromosomes. We found that the nonacidifying phenotype was caused by a point mutation in the laeA gene. LaeA encodes a putative methyltransferase-domain protein, which we show here to be required for citric acid production in an A. niger lab strain (N402) and in other citric acid production strains. The unexpected link between LaeA and citric acid production could provide new insights into the transcriptional control mechanisms related to citric acid production in A. niger. Interestingly, the secondary metabolite profile of a ΔlaeA strain differed from the wild-type strain, showing both decreased and increased metabolite levels, indicating that LaeA is also involved in regulating the production of secondary metabolites. Finally, we show that our systems genetics approach is a powerful tool to identify trait mutations. Copyright © 2016 Niu et al.

  13. Identification of known chemicals and their metabolites from Alpinia oxyphylla fruit extract in rat plasma using liquid chromatography/tandem mass spectrometry (LC-MS/MS) with selected reaction monitoring.

    Science.gov (United States)

    Chen, Feng; Li, Hai-Long; Tan, Yin-Feng; Li, Yong-Hui; Lai, Wei-Yong; Guan, Wei-Wei; Zhang, Jun-Qing; Zhao, Yuan-Sheng; Qin, Zhen-Miao

    2014-08-01

    Alpinia oxyphylla (Yizhi) capsularfruits are commonly used in traditional medicine. Pharmacological studies have demonstrated that A. oxyphylla capsularfruits have some beneficial roles. Besides volatile oil, sesquiterpenes, diarylheptanoids and flavonoids are main bioactive constituents occurring in the Yizhi capsularfruits. The representative constituents include tectochrysin, izalpinin, chrysin, apigenin-4',7-dimethylether, kaempferide, yakuchinone A, yakuchinone B, oxyphyllacinol and nootkatone. Their content levels in the fruit and its pharmaceutical preparations have been reported by our group. The nine phytochemicals are also the major components present in the Yizhi alcoholic extracts, which have anti-diarrheal activities. However, the fates of these constituents in the body after oral or intravenous administration remain largely unknown. In the present study, we focus on these phytochemicals albeit other concomitant compounds. The chemicals and their metabolites in rat plasma were identified using liquid chromatography/tandem mass spectrometry with selected reaction monitoring mode after orally administered Yizhi extract to rats. Rat plasma samples were treated by methanol precipitation, acidic or enzymatic hydrolysis. This target analysis study revealed that: (1) low or trace plasma levels of parent chemicals were measured after p.o. administration of Yizhi extract, Suoquan capsules and pills to rats; (2) flavonoids and diarylheptanoids formed mainly monoglucuronide metabolites; however, diglucuronide metabolites for chrysin, izalpinin and kaempferide were also detected; (3) metabolic reduction of Yizhi diarylheptanoids occurred in rats. Yakuchinone B was reduced to yakuchinone A and then to oxyphyllacinol in a stepwise manner and subsequently glucuronidated by UDP-glucuronosyl transferase. Further research is needed to characterize the UDP-glucuronosyl transferase and reductase involved in the biotransformation of Yizhi chemicals. Copyright © 2014

  14. 77 FR 6857 - Pipeline Safety: Notice of Public Meetings on Improving Pipeline Leak Detection System...

    Science.gov (United States)

    2012-02-09

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID... installed to lessen the volume of natural gas and hazardous liquid released during catastrophic pipeline... p.m. Panel 3: Considerations for Natural Gas Pipeline Leak Detection Systems 3:30 p.m. Break 3:45 p...

  15. Contemporary methods of emergency repair works on transit pipelines. Repair works on in-service pipelines

    International Nuclear Information System (INIS)

    Olma, T.; Winckowski, J.

    2007-01-01

    The paper presents modern methods and relevant technologies of pipeline failure repairs, basing on TD Williamson technique for hermetic plugging of gas pipelines without interrupting service. Rules for management of emergency situations on the Polish Section of Yamal - Europe Transit Gas Pipeline are being discussed as well. (author)

  16. PipelineDog: a simple and flexible graphic pipeline construction and maintenance tool.

    Science.gov (United States)

    Zhou, Anbo; Zhang, Yeting; Sun, Yazhou; Xing, Jinchuan

    2018-05-01

    Analysis pipelines are an essential part of bioinformatics research, and ad hoc pipelines are frequently created by researchers for prototyping and proof-of-concept purposes. However, most existing pipeline management system or workflow engines are too complex for rapid prototyping or learning the pipeline concept. A lightweight, user-friendly and flexible solution is thus desirable. In this study, we developed a new pipeline construction and maintenance tool, PipelineDog. This is a web-based integrated development environment with a modern web graphical user interface. It offers cross-platform compatibility, project management capabilities, code formatting and error checking functions and an online repository. It uses an easy-to-read/write script system that encourages code reuse. With the online repository, it also encourages sharing of pipelines, which enhances analysis reproducibility and accountability. For most users, PipelineDog requires no software installation. Overall, this web application provides a way to rapidly create and easily manage pipelines. PipelineDog web app is freely available at http://web.pipeline.dog. The command line version is available at http://www.npmjs.com/package/pipelinedog and online repository at http://repo.pipeline.dog. ysun@kean.edu or xing@biology.rutgers.edu or ysun@diagnoa.com. Supplementary data are available at Bioinformatics online.

  17. 76 FR 303 - Pipeline Safety: Safety of On-Shore Hazardous Liquid Pipelines

    Science.gov (United States)

    2011-01-04

    ... leak detection requirements for all pipelines; whether to require the installation of emergency flow... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part 195 [Docket ID PHMSA-2010-0229] RIN 2137-AE66 Pipeline Safety: Safety of On-Shore Hazardous Liquid...

  18. Addressing the workforce pipeline challenge

    Energy Technology Data Exchange (ETDEWEB)

    Leonard Bond; Kevin Kostelnik; Richard Holman

    2006-11-01

    A secure and affordable energy supply is essential for achieving U.S. national security, in continuing U.S. prosperity and in laying the foundations to enable future economic growth. To meet this goal the next generation energy workforce in the U.S., in particular those needed to support instrumentation, controls and advanced operations and maintenance, is a critical element. The workforce is aging and a new workforce pipeline, to support both current generation and new build has yet to be established. The paper reviews the challenges and some actions being taken to address this need.

  19. Maritimes and northeast pipeline update

    International Nuclear Information System (INIS)

    Langan, P.

    1998-01-01

    Efforts made by Maritimes and Northeast Pipelines to bring the benefits of natural gas to the Maritime's economy was discussed. Some background on the developments that have brought the company to where they are today and an update on all their activities were presented. These activities and operations are expected to impact and affect the region's economy in a positive way. Particular attention was paid to the company's policy on laterals and the positive effects of that policy on the development of natural gas service and future natural gas distribution business in the Maritimes

  20. Identification and analysis of chemical constituents and rat serum metabolites in Suan-Zao-Ren granule using ultra high performance liquid chromatography quadrupole time-of-flight mass spectrometry combined with multiple data processing approaches.

    Science.gov (United States)

    Du, Yiyang; He, Bosai; Li, Qing; He, Jiao; Wang, Di; Bi, Kaishun

    2017-07-01

    Suan-Zao-Ren granule is widely used to treat insomnia in China. However, because of the complexity and diversity of the chemical compositions in traditional Chinese medicine formula, the comprehensive analysis of constituents in vitro and in vivo is rather difficult. In our study, an ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry and the PeakView® software, which uses multiple data processing approaches including product ion filter, neutral loss filter, and mass defect filter, method was developed to characterize the ingredients and rat serum metabolites in Suan-Zao-Ren granule. A total of 101 constituents were detected in vitro. Under the same analysis conditions, 68 constituents were characterized in rat serum, including 35 prototype components and 33 metabolites. The metabolic pathways of main components were also illustrated. Among them, the metabolic pathways of timosaponin AI were firstly revealed. The bioactive compounds mainly underwent the phase I metabolic pathways including hydroxylation, oxidation, hydrolysis, and phase II metabolic pathways including sulfate conjugation, glucuronide conjugation, cysteine conjugation, acetycysteine conjugation, and glutathione conjugation. In conclusion, our results showed that this analysis approach was extremely useful for the in-depth pharmacological research of Suan-Zao-Ren granule and provided a chemical basis for its rational. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Internal corrosion control of northern pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Papavinasam, S.

    2005-02-01

    The general causes of internal corrosion in pipelines were discussed along with the methods to control them. Efficient methods are needed to determine chemical efficiency for mitigating internal corrosion in transmission pipelines, particularly those used in environmentally sensitive regions in the Arctic where harsh environmental conditions prevail. According to the Office of Pipeline Safety, 15 per cent of pipeline failures in the United States from 1994 to 2000 were caused by internal corrosion. Since pipelines in the United States are slightly older than Canadian pipelines, internal corrosion is a significant issue from a Canadian perspective. There are 306,618 km of energy-related pipelines in western Canada. Between April 2001 and March 2002 there were 808 failures, of which 425 failures resulted from internal corrosion. The approach to control internal corrosion comprises of dehydrating the gases at production facilities; controlling the quality of corrosive gases such as carbon dioxide and hydrogen sulphide; and, using internal coatings. The approaches to control internal corrosion are appropriate, when supplemented by adequate integrity management program to ensure that corrosive liquids do not collect, over the operational lifetime of the pipelines, at localized areas. It was suggested that modeling of pipeline operations may need improvement. This paper described the causes, prediction and control of internal pitting corrosion. It was concluded that carbon steel equipment can continue to be used reliably and safely as pipeline materials for northern pipelines if the causes that lead to internal corrosion are scientifically and accurately predicted, and if corrosion inhibitors are properly evaluated and applied. 5 figs.

  2. Production of Metabolites

    DEFF Research Database (Denmark)

    2011-01-01

    A recombinant micro-organism such as Saccharomyces cerevisiae which produces and excretes into culture medium a stilbenoid metabolite product when grown under stilbenoid production conditions, which expresses in above native levels a ABC transporter which transports said stilbenoid out of said...... micro-organism cells to the culture medium. The genome of the Saccharomyces cerevisiae produces an auxotrophic phenotype which is compensated by a plasmid which also expresses one or more of said enzymes constituting said metabolic pathway producing said stilbenoid, an expression product of the plasmid...

  3. 78 FR 24309 - Pipeline and Hazardous Materials Safety Administration

    Science.gov (United States)

    2013-04-24

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration List of Special Permit Applications Delayed AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA..., Pipeline and Hazardous Materials Safety Administration, U.S. Department of Transportation, East Building...

  4. Oil and Natural Gas Pipelines, North America, 2010, Platts

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Oil and Natural Gas Pipeline geospatial data layer contains gathering, interstate, and intrastate natural gas pipelines, crude and product oil pipelines, and...

  5. 75 FR 32836 - Pipeline Safety: Workshop on Public Awareness Programs

    Science.gov (United States)

    2010-06-09

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID... American Public Gas Association Association of Oil Pipelines American Petroleum Institute Interstate... the pipeline industry). Hazardous Liquid Gas Transmission/Gathering Natural Gas Distribution (10...

  6. 75 FR 67807 - Pipeline Safety: Emergency Preparedness Communications

    Science.gov (United States)

    2010-11-03

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... is issuing an Advisory Bulletin to remind operators of gas and hazardous liquid pipeline facilities... Gas Pipeline Systems. Subject: Emergency Preparedness Communications. Advisory: To further enhance the...

  7. 76 FR 65778 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2011-10-24

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No...: 12,120. Frequency of Collection: On occasion. 2. Title: Recordkeeping for Natural Gas Pipeline... investigating incidents. Affected Public: Operators of natural gas pipeline systems. Annual Reporting and...

  8. 75 FR 13807 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2010-03-23

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... of Transportation, Pipeline and Hazardous Materials Safety Administration, 1200 New Jersey Avenue, SE...: Updates to Pipeline and Liquefied Natural Gas Reporting Requirements (One Rule). The Notice of Proposed...

  9. 77 FR 61826 - Pipeline Safety: Communication During Emergency Situations

    Science.gov (United States)

    2012-10-11

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... liquefied natural gas pipeline facilities that operators should immediately and directly notify the Public.... Background Federal regulations for gas, liquefied natural gas (LNG), and hazardous liquid pipeline facilities...

  10. 77 FR 34457 - Pipeline Safety: Mechanical Fitting Failure Reports

    Science.gov (United States)

    2012-06-11

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No... notice provides clarification to owners and operators of gas distribution pipeline facilities when... of a gas distribution pipeline facility to file a written report for any mechanical fitting failure...

  11. SNIT: SNP identification for strain typing

    Directory of Open Access Journals (Sweden)

    Reifman Jaques

    2011-09-01

    Full Text Available Abstract With ever-increasing numbers of microbial genomes being sequenced, efficient tools are needed to perform strain-level identification of any newly sequenced genome. Here, we present the SNP identification for strain typing (SNIT pipeline, a fast and accurate software system that compares a newly sequenced bacterial genome with other genomes of the same species to identify single nucleotide polymorphisms (SNPs and small insertions/deletions (indels. Based on this information, the pipeline analyzes the polymorphic loci present in all input genomes to identify the genome that has the fewest differences with the newly sequenced genome. Similarly, for each of the other genomes, SNIT identifies the input genome with the fewest differences. Results from five bacterial species show that the SNIT pipeline identifies the correct closest neighbor with 75% to 100% accuracy. The SNIT pipeline is available for download at http://www.bhsai.org/snit.html

  12. Electrical fingerprint of pipeline defects

    International Nuclear Information System (INIS)

    Mica, Isabella; Polignano, Maria Luisa; Marco, Cinzia De

    2004-01-01

    Pipeline defects are dislocations that connect the source region of the transistor with the drain region. They were widely reported to occur in CMOS, BiCMOS devices and recently in SOI technologies. They can reduce device yield either by affecting the devices functionality or by increasing the current consumption under stand-by conditions. In this work the electrical fingerprint of these dislocations is studied, its purpose is to enable us to identify these defects as the ones responsible for device failure. It is shown that the pipeline defects are responsible for a leakage current from source to drain in the transistors. This leakage has a resistive characteristic and it is lightly modulated by the body bias. It is not sensitive to temperature; vice versa the off-current of a good transistor exhibits the well-known exponential dependence on 1/T. The emission spectrum of these defects was studied and compared with the spectrum of a good transistor. The paper aims to show that the spectrum of a defective transistor is quite peculiar; it shows well defined peaks, whereas the spectrum of a good transistor under saturation conditions is characterized by a broad spectral light emission distribution. Finally the deep-level transient spectroscopy (DLTS) is tried on defective diodes

  13. System reliability of corroding pipelines

    International Nuclear Information System (INIS)

    Zhou Wenxing

    2010-01-01

    A methodology is presented in this paper to evaluate the time-dependent system reliability of a pipeline segment that contains multiple active corrosion defects and is subjected to stochastic internal pressure loading. The pipeline segment is modeled as a series system with three distinctive failure modes due to corrosion, namely small leak, large leak and rupture. The internal pressure is characterized as a simple discrete stochastic process that consists of a sequence of independent and identically distributed random variables each acting over a period of one year. The magnitude of a given sequence follows the annual maximum pressure distribution. The methodology is illustrated through a hypothetical example. Furthermore, the impact of the spatial variability of the pressure loading and pipe resistances associated with different defects on the system reliability is investigated. The analysis results suggest that the spatial variability of pipe properties has a negligible impact on the system reliability. On the other hand, the spatial variability of the internal pressure, initial defect sizes and defect growth rates can have a significant impact on the system reliability.

  14. Increase of ecological safety of the pipeline

    International Nuclear Information System (INIS)

    Dr Movsumov, Sh.N.; Prof Aliyev, F.G.

    2005-01-01

    Full text : For increase of ecological safety of the pipeline, necessary decrease of damage (risk) rendered by the pipeline on surrounding natural environment which depends: on the frequency of damage of the pipeline; on the volume poured oil; on the factor of sensitivity of an environment where flood of oil was. Frequency of damage of the pipeline depends on physico-chemical properties of a material of the pipeline, from its technical characteristics (thickness of a wall, length of a pipe, working pressure), on the seismic area of the district where the pipeline passed and also on the way of lining of the pipeline (underground or overground). The volume poured oil depends on diameter of the received damage, from stability of the pipeline mechanical and other external actions, from an ambient temperature, from capacity of the pipeline, from distance between the latches established in the pipeline, and also from time, necessary for their full closing. The factor of sensitivity of environment depends on geological structure and landscapes of district (mountain, the river, settlements) where passed the pipeline. At designing the pipeline, in report is shown questions of increase of ecological safety of the pipeline are considered at his construction and exploitation. For improvement of ecological safety of the pipeline is necessary to hold the following actions: Ecological education of the public, living near along a line of the oil pipeline; carrying out ecological monitoring; working of the public plan of response to oil spills; For ecological education of the public is necessary: carrying out informing of the public for all (technical, ecological, social and economic and legal) questions connected to an oil pipeline, and also on methods of protection of the rights at participation in acceptance of ecological significant decisions; Creation of public groups for realization of activity on observance of the legislation and to prevention of risks; Exposure of hot

  15. Prioritizing Candidate Disease Metabolites Based on Global Functional Relationships between Metabolites in the Context of Metabolic Pathways

    Science.gov (United States)

    Yang, Haixiu; Xu, Yanjun; Han, Junwei; Li, Jing; Su, Fei; Zhang, Yunpeng; Zhang, Chunlong; Li, Dongguo; Li, Xia

    2014-01-01

    Identification of key metabolites for complex diseases is a challenging task in today's medicine and biology. A special disease is usually caused by the alteration of a series of functional related metabolites having a global influence on the metabolic network. Moreover, the metabolites in the same metabolic pathway are often associated with the same or similar disease. Based on these functional relationships between metabolites in the context of metabolic pathways, we here presented a pathway-based random walk method called PROFANCY for prioritization of candidate disease metabolites. Our strategy not only takes advantage of the global functional relationships between metabolites but also sufficiently exploits the functionally modular nature of metabolic networks. Our approach proved successful in prioritizing known metabolites for 71 diseases with an AUC value of 0.895. We also assessed the performance of PROFANCY on 16 disease classes and found that 4 classes achieved an AUC value over 0.95. To investigate the robustness of the PROFANCY, we repeated all the analyses in two metabolic networks and obtained similar results. Then we applied our approach to Alzheimer's disease (AD) and found that a top ranked candidate was potentially related to AD but had not been reported previously. Furthermore, our method was applicable to prioritize the metabolites from metabolomic profiles of prostate cancer. The PROFANCY could identify prostate cancer related-metabolites that are supported by literatures but not considered to be significantly differential by traditional differential analysis. We also developed a freely accessible web-based and R-based tool at http://bioinfo.hrbmu.edu.cn/PROFANCY. PMID:25153931

  16. Mutagenic azide metabolite is azidoalanine

    International Nuclear Information System (INIS)

    Owais, W.M.; Rosichan, J.L.; Ronald, R.C.; Kleinhofs, A.; Nilan, R.A.

    1981-01-01

    Sodium axide produces high mutation rates in a number of species. Azide mutagenicity is mediated through a metabolite in barley and bacteria. Many studies showed that azide affects the L-cysteine biosynthesis pathway. Cell-free extracts of Salmonella typhimurium convert azide and O-acetylserine to the mutagenic metabolite. O-acetylserine sulfhydrylase was identified as the enzyme responsible for the metabolite biosynthesis. To confirm the conclusion that the azide metabolite is formed through the β-substitution pathway of L-cysteine, we radioactively labeled the azide metabolite using 14 C-labeled precursors. Moreover, the mutagenic azide metabolite was purified and identified as azidoalanine based on mass spectroscopy and elemental analysis. 26 refs., 3 figs., 1 tab

  17. Dynamic pressure measures for long pipeline leak detection

    Energy Technology Data Exchange (ETDEWEB)

    Likun Wang; Hongchao Wang; Min Xiong; Bin Xu; Dongjie Tan; Hengzhang Zhou [PetroChina Pipeline Company, Langfang (China). R and D Center

    2009-07-01

    Pipeline leak detection method based on dynamic pressure is studied. The feature of dynamic pressure which is generated by the leakage of pipeline is analyzed. The dynamic pressure method is compared with the static pressure method for the advantages and disadvantages in pipeline leak detection. The dynamic pressure signal is suitable for pipeline leak detection for quick-change of pipeline internal pressure. Field tests show that the dynamic pressure method detects pipeline leak rapidly and precisely. (author)

  18. Best practices for the abandonment of pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Mackean, M; Reed, R; Snow, B [Nabors Canada, Calgary, AB (Canada). Abandonrite Service

    2006-07-01

    Pipeline regulations implemented in 2006 require that licensees register all pipelines. Training must also be provided for ground disturbance supervisors. In addition, signage must be maintained on abandoned pipelines, and discontinued pipelines must be properly isolated. Corrosion control and internal inhibition is required for discontinued lines. However, pipelines are often neglected during the well abandonment process. This presentation provided recommendations for coordinating well and pipeline abandonment processes. Pipeline ends can be located, depressurized, flushed and purged while wells are being abandoned. Contaminated soils around the wells can also be identified prior to reclamation activities. Administrative reviews must be conducted in order to provide accurate information on pipeline location, reclamation certification, and line break history. Field operation files must be reviewed before preliminary field work is conducted. Site inspections should be used to determine if all ends of the line are accessible. Landowners and occupants near the line must also be notified, and relevant documentation must be obtained. Skilled technicians must be used to assess the lines for obstructions as well as to cut and cap the lines after removing risers. The presentation also examined issues related to pressure change, movement, cold tapping, and live dead legs. tabs., figs.

  19. Canadian pipeline transportation system : transportation assessment

    International Nuclear Information System (INIS)

    2009-07-01

    In addition to regulating the construction and operation of 70,000 km of oil and natural gas pipelines in Canada, the National Energy Board (NEB) regulates the trade of natural gas, oil and natural gas liquids. This report provided an assessment of the Canadian hydrocarbon transportation system in relation to its ability to provide a robust energy infrastructure. Data was collected from NEB-regulated pipeline companies and a range of publicly available sources to determine if adequate pipeline capacity is in place to transport products to consumers. The NEB also used throughput and capacity information received from pipeline operators as well as members of the investment community. The study examined price differentials compared with firm service tolls for transportation paths, as well as capacity utilization on pipelines and the degree of apportionment on major oil pipelines. This review indicated that in general, the Canadian pipeline transportation system continues to work effectively, with adequate pipeline capacity in place to move products to consumers who need them. 9 tabs., 30 figs., 3 appendices.

  20. The MIRI Medium Resolution Spectrometer calibration pipeline

    NARCIS (Netherlands)

    Labiano, A.; Azzollini, R.; Bailey, J.; Beard, S.; Dicken, D.; García-Marín, M.; Geers, V.; Glasse, A.; Glauser, A.; Gordon, K.; Justtanont, K.; Klaassen, P.; Lahuis, F.; Law, D.; Morrison, J.; Müller, M.; Rieke, G.; Vandenbussche, B.; Wright, G.

    2016-01-01

    The Mid-Infrared Instrument (MIRI) Medium Resolution Spectrometer (MRS) is the only mid-IR Integral Field Spectrometer on board James Webb Space Telescope. The complexity of the MRS requires a very specialized pipeline, with some specific steps not present in other pipelines of JWST instruments,

  1. Oil pipeline energy consumption and efficiency

    Energy Technology Data Exchange (ETDEWEB)

    Hooker, J.N.

    1981-01-01

    This report describes an investigation of energy consumption and efficiency of oil pipelines in the US in 1978. It is based on a simulation of the actual movement of oil on a very detailed representation of the pipeline network, and it uses engineering equations to calculate the energy that pipeline pumps must have exerted on the oil to move it in this manner. The efficiencies of pumps and drivers are estimated so as to arrive at the amount of energy consumed at pumping stations. The throughput in each pipeline segment is estimated by distributing each pipeline company's reported oil movements over its segments in proportions predicted by regression equations that show typical throughput and throughput capacity as functions of pipe diameter. The form of the equations is justified by a generalized cost-engineering study of pipelining, and their parameters are estimated using new techniques developed for the purpose. A simplified model of flow scheduling is chosen on the basis of actual energy use data obtained from a few companies. The study yields energy consumption and intensiveness estimates for crude oil trunk lines, crude oil gathering lines and oil products lines, for the nation as well as by state and by pipe diameter. It characterizes the efficiency of typical pipelines of various diameters operating at capacity. Ancillary results include estimates of oil movements by state and by diameter and approximate pipeline capacity utilization nationwide.

  2. Testing the School-to-Prison Pipeline

    Science.gov (United States)

    Owens, Emily G.

    2017-01-01

    The School-to-Prison Pipeline is a social phenomenon where students become formally involved with the criminal justice system as a result of school policies that use law enforcement, rather than discipline, to address behavioral problems. A potentially important part of the School-to-Prison Pipeline is the use of sworn School Resource Officers…

  3. Generating pipeline networks for corrosion assessment

    Energy Technology Data Exchange (ETDEWEB)

    Ferguson, J. [Cimarron Engineering Ltd., Calgary, AB (Canada)

    2008-07-01

    Production characteristics and gas-fluid compositions of fluids must be known in order to assess pipelines for internal corrosion risk. In this study, a gathering system pipeline network was built in order to determine corrosion risk for gathering system pipelines. Connections were established between feeder and collector lines in order measure upstream production and the weighted average of the upstream composition of each pipeline in the system. A Norsok M-506 carbon dioxide (CO{sub 2}) corrosion rate model was used to calculate corrosion rates. A spreadsheet was then used to tabulate the obtained data. The analysis used straight lines drawn between the 'from' and 'to' legal sub-division (LSD) endpoints in order to represent pipelines on an Alberta township system (ATS) and identify connections between pipelines. Well connections were established based on matching surface hole location and 'from' LSDs. Well production, composition, pressure, and temperature data were sourced and recorded as well attributes. XSL hierarchical computations were used to determine the production and composition properties of the commingled inflows. It was concluded that the corrosion assessment process can identify locations within the pipeline network where potential deadlegs branched off from flowing pipelines. 4 refs., 2 tabs., 2 figs.

  4. Analysis of buried pipelines at Kozloduy

    International Nuclear Information System (INIS)

    Asfura, A.

    1999-01-01

    This paper describes the analysis of the buried pipelines at Kozloduy NPP. It involves the description of the studied pipelines, their properties, a detailed description of the methodology applied, and the evaluation of the soil strain field as well as the graphical representation of the results obtained

  5. The LOFAR Known Pulsar Data Pipeline

    NARCIS (Netherlands)

    Alexov, A.; Hessels, J.W.T.; Mol, J.D.; Stappers, B.; van Leeuwen, J.

    2010-01-01

    Abstract: Transient radio phenomena and pulsars are one of six LOFAR Key Science Projects (KSPs). As part of the Transients KSP, the Pulsar Working Group (PWG) has been developing the LOFAR Pulsar Data Pipelines to both study known pulsars as well as search for new ones. The pipelines are being

  6. Repairing method for reactor primary system pipeline

    International Nuclear Information System (INIS)

    Hosokawa, Hideyuki; Uetake, Naoto; Hara, Teruo.

    1997-01-01

    Pipelines after decontamination of radioactive nuclides deposited on the pipelines in a nuclear power plant during operation or pipelines to replace pipelines deposited with radioactive nuclide are connected to each system of the nuclear power plant. They are heated in a gas phase containing oxygen to form an oxide film on the surface of the pipelines. The thickness of the oxide film formed in the gas phase is 1nm or greater, preferably 100nm. The concentration of oxygen in the gas phase containing oxygen must be 0.1% or greater. The heating is conducted by circulating a heated gas to the inside of the pipelines or disposing a movable heater such as a high frequency induction heater inside of the pipelines to form the oxide film. Then, redeposition of radioactive nuclide can be suppressed and since the oxide film is formed in the gas phase, a large scaled facilities are not necessary, thereby enabling to repair pipelines of reactor primary system at low cost. (N.H.)

  7. Protection of pipelines affected by surface subsidence

    International Nuclear Information System (INIS)

    Luo, Y.; Peng, S.S.; Chen, H.J.

    1998-01-01

    Surface subsidence resulting from underground coal mining can cause problems for buried pipelines. A technique for assessing the level of stress on a subsidence-affected pipeline is introduced. The main contributors to the stress are identified, and mitigation techniques for reducing the stress are proposed. The proposed mitigation techniques were then successfully tested. 13 refs., 8 figs., 2 tabs

  8. Offshore Pipeline Locations in the Gulf of Mexico, Geographic NAD27, MMS (2007) [pipelines_vectors_mms_2007

    Data.gov (United States)

    Louisiana Geographic Information Center — Offshore Minerals Management Pipeline Locations for the Gulf of Mexico (GOM). Contains the lines of the pipeline in the GOM. All pipelines existing in the databases...

  9. Offshore Pipeline Locations in the Gulf of Mexico, Geographic NAD27, MMS (2007) [pipelines_points_mms_2007

    Data.gov (United States)

    Louisiana Geographic Information Center — Offshore Minerals Management Pipeline Locations for the Gulf of Mexico (GOM). Contains the points of the pipeline in the GOM. All pipelines existing in the databases...

  10. optimization for trenchless reconstruction of pipelines

    Directory of Open Access Journals (Sweden)

    Zhmakov Gennadiy Nikolaevich

    2015-01-01

    Full Text Available Today the technologies of trenchless reconstruction of pipelines are becoming and more widely used in Russia and abroad. One of the most perspective is methods is shock-free destruction of the old pipeline being replaced with the help of hydraulic installations with working mechanism representing a cutting unit with knife disks and a conic expander. A construction of a working mechanism, which allows making trenchless reconstruction of pipelines of different diameters, is optimized and patented and its developmental prototype is manufactured. The dependence of pipeline cutting force from knifes obtusion of the working mechanisms. The cutting force of old steel pipelines with obtuse knife increases proportional to the value of its obtusion. Two stands for endurance tests of the knifes in laboratory environment are offered and patented.

  11. Crude oil growth impact on pipelines

    International Nuclear Information System (INIS)

    Devries, O.

    2005-01-01

    This paper provided an outline of crude oil production and supply in Canada. Details of oil sands projects in Athabasca, Cold Lake and Peace River were presented. A chart of oil sands growth by major project was provided. A list of new emerging oil sands crude types was also presented along with details of a synthetic bitumen blending synergy. Maps of Western Canadian crude oil markets were provided, along with details of refinery and market demand by crude type. Various pipeline alternatives to new markets were examined, with reference to Enbridge Pipeline's supply and capacity. Details of the Hardisty to U.S Gulf Coast Pipeline and the Edmonton to Prince Rupert Pipeline and its terminal and dock facilities were presented. It was concluded that pipeline capacity and seasonal factors will influence market demand, while linefill, crude types and the quality of the product will influence operational strategies. tabs., figs

  12. Millennium Pipeline Presentation : a new northeast passage

    International Nuclear Information System (INIS)

    Wolnik, J.

    1997-01-01

    Routes of the proposed Millennium Pipeline project were presented. The pipeline is to originate at the Empress gas field in Alberta and link up to eastern markets in the United States. One of the key advantages of the pipeline is that it will have the lowest proposed rates from Empress to Chicago and through links via affiliates to New York and other eastern markets. It will include 380 miles of new 36-inch pipeline and have a capacity of 650 million cubic feet per day. In many instances it will follow existing rights-of-way. The pipeline is expected to be in service for the 1999 winter heating season. The project sponsors are Columbia Gas Transmission, CMS Energy, MCN Energy, and Westcoast Energy. 6 figs

  13. Efficiency improvements in pipeline transportation systems

    Energy Technology Data Exchange (ETDEWEB)

    Banks, W. F.; Horton, J. F.

    1977-09-09

    This report identifies potential energy-conservative pipeline innovations that are most energy- and cost-effective and formulates recommendations for the R, D, and D programs needed to exploit those opportunities. From a candidate field of over twenty classes of efficiency improvements, eight systems are recommended for pursuit. Most of these possess two highly important attributes: large potential energy savings and broad applicability outside the pipeline industry. The R, D, and D program for each improvement and the recommended immediate next step are described. The eight technologies recommended for R, D, and D are gas-fired combined cycle compressor station; internally cooled internal combustion engine; methanol-coal slurry pipeline; methanol-coal slurry-fired and coal-fired engines; indirect-fired coal-burning combined-cycle pump station; fuel-cell pump station; drag-reducing additives in liquid pipelines; and internal coatings in pipelines.

  14. Pipeline modeling and assessment in unstable slopes

    Energy Technology Data Exchange (ETDEWEB)

    Caceres, Carlos Nieves [Oleoducto Central S.A., Bogota, Cundinamarca (Colombia); Ordonez, Mauricio Pereira [SOLSIN S.A.S, Bogota, Cundinamarca (Colombia)

    2010-07-01

    The OCENSA pipeline system is vulnerable to geotechnical problems such as faults, landslides or creeping slopes, which are well-known in the Andes Mountains and tropical countries like Colombia. This paper proposes a methodology to evaluate the pipe behaviour during the soil displacements of slow landslides. Three different cases of analysis are examined, according to site characteristics. The process starts with a simplified analytical model and develops into 3D finite element numerical simulations applied to the on-site geometry of soil and pipe. Case 1 should be used when the unstable site is subject to landslides impacting significant lengths of pipeline, pipeline is straight, and landslide is simple from the geotechnical perspective. Case 2 should be used when pipeline is straight and landslide is complex (creeping slopes and non-conventional stabilization solutions). Case 3 should be used if the pipeline presents vertical or horizontal bends.

  15. Location of leaks in pressurized underground pipelines

    International Nuclear Information System (INIS)

    Eckert, E.G.; Maresca, J.W. Jr.

    1993-01-01

    Millions of underground storage tanks (UST) are used to store petroleum and other chemicals. The pressurized underground pipelines associated with USTs containing petroleum motor fuels are typically 2 in. in diameter and 50 to 200 ft in length. These pipelines typically operate at pressures of 20 to 30 psi. Longer lines, with diameters up to 4 in., are found in some high-volume facilities. There are many systems that can be used to detect leaks in pressurized underground pipelines. When a leak is detected, the first step in the remediation process is to find its location. Passive-acoustic measurements, combined with advanced signal-processing techniques, provide a nondestructive method of leak location that is accurate and relatively simple, and that can be applied to a wide variety of pipelines and pipeline products

  16. Fungal Secretome Analysis via PepSAVI-MS: Identification of the Bioactive Peptide KP4 from Ustilago maydis

    Science.gov (United States)

    Kirkpatrick, Christine L.; Parsley, Nicole C.; Bartges, Tessa E.; Cooke, Madeline E.; Evans, Wilaysha S.; Heil, Lilian R.; Smith, Thomas J.; Hicks, Leslie M.

    2018-05-01

    Fungal secondary metabolites represent a rich and largely untapped source for bioactive molecules, including peptides with substantial structural diversity and pharmacological potential. As methods proceed to take a deep dive into fungal genomes, complimentary methods to identify bioactive components are required to keep pace with the expanding fungal repertoire. We developed PepSAVI-MS to expedite the search for natural product bioactive peptides and herein demonstrate proof-of-principle applicability of the pipeline for the discovery of bioactive peptides from fungal secretomes via identification of the antifungal killer toxin KP4 from Ustilago maydis P4. This work opens the door to investigating microbial secretomes with a new lens, and could have broad applications across human health, agriculture, and food safety. [Figure not available: see fulltext.

  17. The Very Large Array Data Processing Pipeline

    Science.gov (United States)

    Kent, Brian R.; Masters, Joseph S.; Chandler, Claire J.; Davis, Lindsey E.; Kern, Jeffrey S.; Ott, Juergen; Schinzel, Frank K.; Medlin, Drew; Muders, Dirk; Williams, Stewart; Geers, Vincent C.; Momjian, Emmanuel; Butler, Bryan J.; Nakazato, Takeshi; Sugimoto, Kanako

    2018-01-01

    We present the VLA Pipeline, software that is part of the larger pipeline processing framework used for the Karl G. Jansky Very Large Array (VLA), and Atacama Large Millimeter/sub-millimeter Array (ALMA) for both interferometric and single dish observations.Through a collection of base code jointly used by the VLA and ALMA, the pipeline builds a hierarchy of classes to execute individual atomic pipeline tasks within the Common Astronomy Software Applications (CASA) package. Each pipeline task contains heuristics designed by the team to actively decide the best processing path and execution parameters for calibration and imaging. The pipeline code is developed and written in Python and uses a "context" structure for tracking the heuristic decisions and processing results. The pipeline "weblog" acts as the user interface in verifying the quality assurance of each calibration and imaging stage. The majority of VLA scheduling blocks above 1 GHz are now processed with the standard continuum recipe of the pipeline and offer a calibrated measurement set as a basic data product to observatory users. In addition, the pipeline is used for processing data from the VLA Sky Survey (VLASS), a seven year community-driven endeavor started in September 2017 to survey the entire sky down to a declination of -40 degrees at S-band (2-4 GHz). This 5500 hour next-generation large radio survey will explore the time and spectral domains, relying on pipeline processing to generate calibrated measurement sets, polarimetry, and imaging data products that are available to the astronomical community with no proprietary period. Here we present an overview of the pipeline design philosophy, heuristics, and calibration and imaging results produced by the pipeline. Future development will include the testing of spectral line recipes, low signal-to-noise heuristics, and serving as a testing platform for science ready data products.The pipeline is developed as part of the CASA software package by an

  18. Pipeline Decommissioning Trial AWE Berkshire UK - 13619

    Energy Technology Data Exchange (ETDEWEB)

    Agnew, Kieran [AWE, Aldermaston, Reading, RG7 4PR (United Kingdom)

    2013-07-01

    This Paper details the implementation of a 'Decommissioning Trial' to assess the feasibility of decommissioning the redundant pipeline operated by AWE located in Berkshire UK. The paper also presents the tool box of decommissioning techniques that were developed during the decommissioning trial. Constructed in the 1950's and operated until 2005, AWE used a pipeline for the authorised discharge of treated effluent. Now redundant, the pipeline is under a care and surveillance regime awaiting decommissioning. The pipeline is some 18.5 km in length and extends from AWE site to the River Thames. Along its route the pipeline passes along and under several major roads, railway lines and rivers as well as travelling through woodland, agricultural land and residential areas. Currently under care and surveillance AWE is considering a number of options for decommissioning the pipeline. One option is to remove the pipeline. In order to assist option evaluation and assess the feasibility of removing the pipeline a decommissioning trial was undertaken and sections of the pipeline were removed within the AWE site. The objectives of the decommissioning trial were to: - Demonstrate to stakeholders that the pipeline can be removed safely, securely and cleanly - Develop a 'tool box' of methods that could be deployed to remove the pipeline - Replicate the conditions and environments encountered along the route of the pipeline The onsite trial was also designed to replicate the physical prevailing conditions and constraints encountered along the remainder of its route i.e. working along a narrow corridor, working in close proximity to roads, working in proximity to above ground and underground services (e.g. Gas, Water, Electricity). By undertaking the decommissioning trial AWE have successfully demonstrated the pipeline can be decommissioned in a safe, secure and clean manor and have developed a tool box of decommissioning techniques. The tool box of includes

  19. Calibration pipeline for VIR data

    Science.gov (United States)

    Carraro, F.; Fonte, S.; Coradini, A.; Filacchione, G.; de Sanctis, M. C.; Ammannito, E.; Capria, M. T.; Cartacci, M.; Noschese, R.; Tosi, F.; Capaccioni, F.

    2011-10-01

    During the second quarter of 2011 VIR-MS (VIS and IR Mapping Spectrometer) [1] aboard Dawn mission [2] has approached Vesta in order to start a long period of acquisitions that will end at the beginning of 2012. Data acquired by each instrument always require a calibration process in order to remove all the instrument effects that could affect the scientific evaluations and analysis. VIR-MS instrument team has realized a calibration pipeline which has the goal of producing calibrated (1b level) data starting from the raw (1a level) ones. The other goal of the tool has been the check of the goodness of acquired data by means of the evaluation of a series of minimum requisites of each data file, such as the percentage of the saturated pixels, the presence of spikes or the mean S/N ratio of each qube.

  20. Northeast market view : Millennium Pipeline

    International Nuclear Information System (INIS)

    Pentzien, D.C.

    1998-01-01

    The potential for growth in the U.S. northeast natural gas markets was discussed. In presenting a forecast for natural gas consumption, the growth in demand was attributed primarily to the planned conversion of coal and oil-fired electric generation plants to gas-fired ones, combined with nuclear plant shutdowns, and more stringent environmental policies. An overview of the development of the Millennium Pipeline bringing natural gas from the Alberta border all the way to New York City was also provided, with an update on the current status of the project. Assuming no unreasonable delays in the present schedule, the line should be in service sometime in the year 2000. figs

  1. Assessment and management of SCC in a liquid pipeline: case study

    Energy Technology Data Exchange (ETDEWEB)

    Cazenave, Pablo; Tandon, Samarth; Gao, Ming; Krishnamurthy, Ravi [Blade Energy Partners, Houston, Texas (United States); Peverelli, Romina (PIMS of London, London (United Kingdom)); Moreno Ochoa, Carlos (Pemex Refinacion, Cd de Mexico, (Mexico)); Diaz Solis, Esau (Pemex Refinacion, Cd de Mexico, (Mexico))

    2010-07-01

    A 30-inch crude oil pipeline system was built between Nuevo Teapa to Venta de Carpjo from 1978 to 1980. It is owned by Pemex; its total length is 570 km, and it has strategic importance in Mexico's refining capability. In this oil pipeline, various degrees of external and internal corrosion have been found, and recent incidents occurred as a result of stress corrosion cracking (SCC). This paper presents an approach for managing high pH SCC in such a pipeline: it includes a comprehensive verification excavation plan, a strict in-ditch NDT investigation protocol, statistical models to determine the probability of detection and identification, sizing tolerance analyses, and an assessment methodology that is backed up by the material testing program. All the results provided by the application of the approach lead to the development of integrity management strategies. An integrity management plan is established and refined before the next inspection.

  2. U.S. interstate pipelines ran more efficiently in 1994

    International Nuclear Information System (INIS)

    True, W.R.

    1995-01-01

    Regulated US interstate pipelines began 1995 under the momentum of impressive efficiency improvements in 1994. Annual reports filed with the US Federal Energy Regulatory Commission (FERC) show that both natural-gas and petroleum liquids pipeline companies increased their net incomes last year despite declining operating revenues. This article discusses trends in the pipeline industry and gives data on the following: pipeline revenues, incomes--1994; current pipeline costs; pipeline costs--estimated vs. actual; current compressor construction costs; compressor costs--estimated vs. actual; US interstate mileage; investment in liquids pipelines; 10-years of land construction costs; top 10 interstate liquids pipelines; top 10 interstate gas pipelines; liquids pipeline companies; and gas pipeline companies

  3. Current pipelines for neglected diseases.

    Science.gov (United States)

    di Procolo, Paolo; Jommi, Claudio

    2014-09-01

    This paper scrutinises pipelines for Neglected Diseases (NDs), through freely accessible and at-least-weekly updated trials databases. It updates to 2012 data provided by recent publications, and integrates these analyses with information on location of trials coordinators and patients recruitment status. Additionally, it provides (i) disease-specific information to better understand the rational of investments in NDs, (ii) yearly data, to understand the investment trends. The search identified 650 clinical studies. Leishmaniasis, Arbovirus infection, and Dengue are the top three diseases by number of clinical studies. Disease diffusion risk seems to be the most important driver of the clinical trials target choice, whereas the role played by disease prevalence and unmet need is controversial. Number of trials is stable between 2005 and 2010, with an increase in the last two years. Patient recruitment was completed for most studies (57.6%), and Phases II and III account for 35% and 28% of trials, respectively. The primary purpose of clinical investigations is prevention (49.3%), especially for infectious diseases with mosquitoes and sand flies as the vector, and treatment (43.2%), which is the primary target for parasitic diseases Research centres and public organisations are the most important clinical studies sponsors (58.9%), followed by the pharmaceutical industry (24.1%), foundations and non-governmental organisations (9.3%). Many coordinator centres are located in less affluent countries (43.7%), whereas OECD countries and BRICS account for 34.7% and 17.5% of trials, respectively. Information was partially missing for some parameters. Notwithstanding, and despite its descriptive nature, this research has enhanced the evidence of the literature on pipelines for NDs. Future contributions may further investigate whether trials metrics are consistent with the characteristics of the interested countries and the explicative variables of trials location, target

  4. Immune regulation by microbiome metabolites.

    Science.gov (United States)

    Kim, Chang H

    2018-03-22

    Commensal microbes and the host immune system have been co-evolved for mutual regulation. Microbes regulate the host immune system, in part, by producing metabolites. A mounting body of evidence indicates that diverse microbial metabolites profoundly regulate the immune system via host receptors and other target molecules. Immune cells express metabolite-specific receptors such as P2X 7 , GPR41, GPR43, GPR109A, aryl hydrocarbon receptor precursor (AhR), pregnane X receptor (PXR), farnesoid X receptor (FXR), TGR5 and other molecular targets. Microbial metabolites and their receptors form an extensive array of signals to respond to changes in nutrition, health and immunological status. As a consequence, microbial metabolite signals contribute to nutrient harvest from diet, and regulate host metabolism and the immune system. Importantly, microbial metabolites bidirectionally function to promote both tolerance and immunity to effectively fight infection without developing inflammatory diseases. In pathogenic conditions, adverse effects of microbial metabolites have been observed as well. Key immune-regulatory functions of the metabolites, generated from carbohydrates, proteins and bile acids, are reviewed in this article. © 2018 John Wiley & Sons Ltd.

  5. Flooding simulation of hilly pipeline commisionning process

    Energy Technology Data Exchange (ETDEWEB)

    Nan, Zhang [China National Oil and Gas Exploration and Development Corporation and China University of Petroleum, Beijing (China); Jing, Gong [China University of Petroleum, Beijing (China); Baoli, Zhu [China National Oil and Gas Exploration and Development Corporation, Beijing (China); Lin, Zheng [CNPC Oil and Gas Control Center, Beijing (China)

    2010-07-01

    When the construction of a pipeline has been completed, the pipeline flooding is done as part of the pipeline commissioning process. This method consists of filling the empty pipe with water or oil. In a pipeline situated in hilly terrain, air entrapped in the fluid causes problems with the flooding process and it is necessary to discharge the accumulated air to address this issue. The aim of this paper is to provide a model for predicting the location and volume of air pockets in a pipeline. This model was developed based on the fundamentals of mass balance and momentum transfer in multiphase flow and was then applied to a pipeline in China and compared with the SCADA data. Results showed a good match between the model's predictions of hydraulic movement and the real data from SCADA. The two flow model developed can predict hydraulic movement during pipeline flooding in a hilly area and thus it can be used to predict water front location and air pocket movement in the pipe.

  6. A combined genetic and multi medium approach revels new secondary metabolites in Aspergillus nidulans

    DEFF Research Database (Denmark)

    Klejnstrup, Marie Louise; Nielsen, Morten Thrane; Frisvad, Jens Christian

    Secondary metabolites are a diverse group of metabolites which serve as important natural sources of drugs for treating diseases. The availability of full genome sequences of several filamentous fungi has revealed a large genetic potential for production of secondary metabolites that are not obse......Secondary metabolites are a diverse group of metabolites which serve as important natural sources of drugs for treating diseases. The availability of full genome sequences of several filamentous fungi has revealed a large genetic potential for production of secondary metabolites...... that are not observed under standard laboratory conditions. Genetic approaches have proven a fruitfull strategy towards the production and identification of these unknown metabolites. Examples include deletion of the cclA1 and laeA2 genes in A. nidulans which affects the expression of secondary metabolites including...... monodictyphenone and terrequinone A respectively. We have deleted the cclA gene in A. nidulans and grown the mutants on several complex media to provoke the production of secondary metabolites. This resulted in the production of several metabolites not previously reported from A. nidulans. Some of these have been...

  7. Global Prioritization of Disease Candidate Metabolites Based on a Multi-omics Composite Network

    Science.gov (United States)

    Yao, Qianlan; Xu, Yanjun; Yang, Haixiu; Shang, Desi; Zhang, Chunlong; Zhang, Yunpeng; Sun, Zeguo; Shi, Xinrui; Feng, Li; Han, Junwei; Su, Fei; Li, Chunquan; Li, Xia

    2015-01-01

    The identification of disease-related metabolites is important for a better understanding of metabolite pathological processes in order to improve human medicine. Metabolites, which are the terminal products of cellular regulatory process, can be affected by multi-omic processes. In this work, we propose a powerful method, MetPriCNet, to predict and prioritize disease candidate metabolites based on integrated multi-omics information. MetPriCNet prioritized candidate metabolites based on their global distance similarity with seed nodes in a composite network, which integrated multi-omics information from the genome, phenome, metabolome and interactome. After performing cross-validation on 87 phenotypes with a total of 602 metabolites, MetPriCNet achieved a high AUC value of up to 0.918. We also assessed the performance of MetPriCNet on 18 disease classes and found that 4 disease classes achieved an AUC value over 0.95. Notably, MetPriCNet can also predict disease metabolites without known disease metabolite knowledge. Some new high-risk metabolites of breast cancer were predicted, although there is a lack of known disease metabolite information. A predicted disease metabolic landscape was constructed and analyzed based on the results of MetPriCNet for 87 phenotypes to help us understand the genetic and metabolic mechanism of disease from a global view. PMID:26598063

  8. Comprehensive analysis of pipeline transportation systems for CO2 sequestration. Thermodynamics and safety problems

    International Nuclear Information System (INIS)

    Witkowski, Andrzej; Rusin, Andrzej; Majkut, Mirosław; Rulik, Sebastian; Stolecka, Katarzyna

    2013-01-01

    Highlights: • Comprehensive analysis of the efficiency and safety strategies of transport CO 2 . • Selection of safety zones around pipelines transporting CO 2 . • Optimization of CO 2 pipeline transportation conditions. - Abstract: The aim of this paper is to analyze CO 2 compression and transportation processes with safety issues for post-combustion CO 2 capture applications for basic technological concepts of a 900 MW pulverized coal-fired power plant. Four various types of compressors including a conventional multistage centrifugal compressor, an integrally geared centrifugal compressor, a supersonic shock wave compressor, and pump machines were used. This study emphasizes that total compression power is a strong function of the thermodynamic process and is not only determined by the compressor efficiency. The compressor increases the CO 2 pressure from normal pressure to critical pressure and the boosting pump continues to increase the pressure to the required pressure for the pipeline inlet. Another problem analyzed in this study is the transport of CO 2 by pipeline from the compressor outlet site to the disposal site under heat transfer conditions. Simulations were made to determine maximum safe pipeline distance to subsequent booster stations depending on inlet pressure, environmental temperature, the thermal insulation thickness and the ground level heat transfer conditions. From the point of view of environmental protection, the most important problem is to identify the hazards which indirectly affect CO 2 transportation in a strict and reliable manner. This identification is essential for effective hazard management. A failure of pipelines is usually caused by corrosion, material defects, ground movement or third party interference. After the rupture of the pipeline transporting liquid CO 2 , a large pressure drop will occur. The pressure will continue to fall until the liquid becomes a mixture of saturated vapour/liquid. In the vicinity of the

  9. Optimal hub location in pipeline networks

    Energy Technology Data Exchange (ETDEWEB)

    Dott, D.R.; Wirasinghe, S.C.; Chakma, A. [Univ. of Calgary, Alberta (Canada)

    1996-12-31

    This paper discusses optimization strategies and techniques for the location of natural gas marketing hubs in the North American gas pipeline network. A hub is a facility at which inbound and outbound network links meet and freight is redirected towards their destinations. Common examples of hubs used in the gas pipeline industry include gas plants, interconnects and market centers. Characteristics of the gas pipeline industry which are relevant to the optimization of transportation costs using hubs are presented. Allocation techniques for solving location-allocation problems are discussed. An outline of the research in process by the authors in the field of optimal gas hub location concludes the paper.

  10. Prospects for coal slurry pipelines in California

    Science.gov (United States)

    Lynch, J. F.

    1978-01-01

    The coal slurry pipeline segment of the transport industry is emerging in the United States. If accepted it will play a vital role in meeting America's urgent energy requirements without public subsidy, tax relief, or federal grants. It is proven technology, ideally suited for transport of an abundant energy resource over thousands of miles to energy short industrial centers and at more than competitive costs. Briefly discussed are the following: (1) history of pipelines; (2) California market potential; (3) slurry technology; (4) environmental benefits; (5) market competition; and (6) a proposed pipeline.

  11. Integrating sustainable growth into export pipeline projects

    International Nuclear Information System (INIS)

    Jeniffer, Barringer; William, Lukens; Patricia, Wild

    2002-01-01

    Full text: Sustainable growth in the energy industry is rapidly expanding beyond the conceptual stage. Policies addressing the three principles of Sustainable Development are being established and strategies to execute these policies are being developed and implemented in the field. Conoco is developing a strong corporate culture around sustainable growth; and, pipeline systems play a vital role in delivering the triple bottom line results for our stake holders. This paper will highlight some of the key focal points by Conoco Inc., in each phase of pipeline project development, execution, and operation to make pipeline projects a contributor to Conoco's sustainable growth success, and shares some lessons learned

  12. ARTIP: Automated Radio Telescope Image Processing Pipeline

    Science.gov (United States)

    Sharma, Ravi; Gyanchandani, Dolly; Kulkarni, Sarang; Gupta, Neeraj; Pathak, Vineet; Pande, Arti; Joshi, Unmesh

    2018-02-01

    The Automated Radio Telescope Image Processing Pipeline (ARTIP) automates the entire process of flagging, calibrating, and imaging for radio-interferometric data. ARTIP starts with raw data, i.e. a measurement set and goes through multiple stages, such as flux calibration, bandpass calibration, phase calibration, and imaging to generate continuum and spectral line images. Each stage can also be run independently. The pipeline provides continuous feedback to the user through various messages, charts and logs. It is written using standard python libraries and the CASA package. The pipeline can deal with datasets with multiple spectral windows and also multiple target sources which may have arbitrary combinations of flux/bandpass/phase calibrators.

  13. Basic Block of Pipelined ADC Design Requirements

    Directory of Open Access Journals (Sweden)

    V. Kledrowetz

    2011-04-01

    Full Text Available The paper describes design requirements of a basic stage (called MDAC - Multiplying Digital-to- Analog Converter of a pipelined ADC. There exist error sources such as finite DC gain of opamp, capacitor mismatch, thermal noise, etc., arising when the switched capacitor (SC technique and CMOS technology are used. These non-idealities are explained and their influences on overall parameters of a pipelined ADC are studied. The pipelined ADC including non-idealities was modeled in MATLAB - Simulink simulation environment.

  14. Crossing Active Faults on the Sakhalin II Onshore Pipeline Route: Analysis Methodology and Basic Design

    International Nuclear Information System (INIS)

    Vitali, Luigino; Mattiozzi, Pierpaolo

    2008-01-01

    Twin oil (20 and 24 inch) and gas (20 and 48 inch) pipeline systems stretching 800 km are being constructed to connect offshore hydrocarbon deposits from the Sakhalin II concession in the North to an LNG plant and oil export terminal in the South of Sakhalin island. The onshore pipeline route follows a regional fault zone and crosses individual active faults at 19 locations. Sakhalin Energy, Design and Construction companies took significant care to ensure the integrity of the pipelines, should large seismic induced ground movements occur during the Operational life of the facilities. Complex investigations including the identification of the active faults, their precise location, their particular displacement values and assessment of the fault kinematics were carried out to provide input data for unique design solutions. Lateral and reverse offset displacements of 5.5 and 4.5 m respectively were determined as the single-event values for the design level earthquake (DLE)--the 1000-year return period event. Within the constraints of a pipeline route largely fixed, the underground pipeline fault crossing design was developed to define the optimum routing which would minimize stresses and strain using linepipe materials which had been ordered prior to the completion of detailed design, and to specify requirements for pipe trenching shape, materials, drainage system, etc. This Paper describes the steps followed to formulate the concept of the special trenches and the analytical characteristics of the Model

  15. Risk analysis of urban gas pipeline network based on improved bow-tie model

    Science.gov (United States)

    Hao, M. J.; You, Q. J.; Yue, Z.

    2017-11-01

    Gas pipeline network is a major hazard source in urban areas. In the event of an accident, there could be grave consequences. In order to understand more clearly the causes and consequences of gas pipeline network accidents, and to develop prevention and mitigation measures, the author puts forward the application of improved bow-tie model to analyze risks of urban gas pipeline network. The improved bow-tie model analyzes accident causes from four aspects: human, materials, environment and management; it also analyzes the consequences from four aspects: casualty, property loss, environment and society. Then it quantifies the causes and consequences. Risk identification, risk analysis, risk assessment, risk control, and risk management will be clearly shown in the model figures. Then it can suggest prevention and mitigation measures accordingly to help reduce accident rate of gas pipeline network. The results show that the whole process of an accident can be visually investigated using the bow-tie model. It can also provide reasons for and predict consequences of an unfortunate event. It is of great significance in order to analyze leakage failure of gas pipeline network.

  16. Knowledge Pipeline: A Task Oriented Way to Implement Knowledge Management

    International Nuclear Information System (INIS)

    Pan Jiajie

    2014-01-01

    Concept of knowledge pipeline: There are many pipelines named by tasks or business processes in an organization. Knowledge contributors put knowledge to its corresponding pipelines. A maintenance team could keep the knowledge in pipelines clear and valid. Users could get knowledge just like opening a faucet in terms of their tasks or business processes

  17. 49 CFR 192.627 - Tapping pipelines under pressure.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 3 2010-10-01 2010-10-01 false Tapping pipelines under pressure. 192.627 Section... NATURAL AND OTHER GAS BY PIPELINE: MINIMUM FEDERAL SAFETY STANDARDS Operations § 192.627 Tapping pipelines under pressure. Each tap made on a pipeline under pressure must be performed by a crew qualified to make...

  18. 76 FR 21423 - Pipeline Safety: Request for Special Permit

    Science.gov (United States)

    2011-04-15

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2011-0063] Pipeline Safety: Request for Special Permit AGENCY: Pipeline and Hazardous Materials... application is for two 30-inch segments, segments 3 and 4, of the TPL 330 natural gas pipeline located in St...

  19. 77 FR 2606 - Pipeline Safety: Random Drug Testing Rate

    Science.gov (United States)

    2012-01-18

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID PHMSA-2012-0004] Pipeline Safety: Random Drug Testing Rate AGENCY: Pipeline and Hazardous Materials... pipelines and operators of liquefied natural gas facilities must select and test a percentage of covered...

  20. 75 FR 35516 - Pipeline Safety: Request for Special Permit

    Science.gov (United States)

    2010-06-22

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2010-0147] Pipeline Safety: Request for Special Permit AGENCY: Pipeline and Hazardous Materials... with the Class 1 location portion of a 7.4 mile natural gas pipeline to be constructed in Alaska. This...

  1. 77 FR 26822 - Pipeline Safety: Verification of Records

    Science.gov (United States)

    2012-05-07

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2012-0068] Pipeline Safety: Verification of Records AGENCY: Pipeline and Hazardous Materials... issuing an Advisory Bulletin to remind operators of gas and hazardous liquid pipeline facilities to verify...

  2. 75 FR 73160 - Pipeline Safety: Information Collection Activities

    Science.gov (United States)

    2010-11-29

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No...-Related Conditions on Gas, Hazardous Liquid, and Carbon Dioxide Pipelines and Liquefied Natural Gas... Pipelines and Liquefied Natural Gas Facilities.'' The Pipeline Safety Laws (49 U.S.C. 60132) require each...

  3. 75 FR 9018 - Pipeline Safety: Random Drug Testing Rate

    Science.gov (United States)

    2010-02-26

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID PHMSA-2010-0034] Pipeline Safety: Random Drug Testing Rate AGENCY: Pipeline and Hazardous Materials... pipelines and operators of liquefied natural gas facilities must select and test a percentage of covered...

  4. 75 FR 4136 - Pipeline Safety: Request To Modify Special Permit

    Science.gov (United States)

    2010-01-26

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2009-0377] Pipeline Safety: Request To Modify Special Permit AGENCY: Pipeline and Hazardous... coating on its gas pipeline. DATES: Submit any comments regarding this special permit modification request...

  5. 76 FR 11853 - Pipeline Safety: Request for Special Permit

    Science.gov (United States)

    2011-03-03

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2011-0027] Pipeline Safety: Request for Special Permit AGENCY: Pipeline and Hazardous Materials... a 24-inch mainline natural gas pipeline, 595 feet in length. The first segment of the special permit...

  6. 77 FR 34458 - Pipeline Safety: Requests for Special Permit

    Science.gov (United States)

    2012-06-11

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2012-0112] Pipeline Safety: Requests for Special Permit AGENCY: Pipeline and Hazardous Materials... BreitBurn Energy Company LP, two natural gas pipeline operators, seeking relief from compliance with...

  7. 78 FR 14877 - Pipeline Safety: Incident and Accident Reports

    Science.gov (United States)

    2013-03-07

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket ID PHMSA-2013-0028] Pipeline Safety: Incident and Accident Reports AGENCY: Pipeline and Hazardous Materials... PHMSA F 7100.2--Incident Report--Natural and Other Gas Transmission and Gathering Pipeline Systems and...

  8. 78 FR 65429 - Pipeline Safety: Request for Special Permit

    Science.gov (United States)

    2013-10-31

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2010-0041] Pipeline Safety: Request for Special Permit AGENCY: Pipeline and Hazardous Materials...-0041 Williams Gas Pipeline 49 CFR 192.150........ To authorize the extension Company, LLC (WGP). of a...

  9. 49 CFR 192.513 - Test requirements for plastic pipelines.

    Science.gov (United States)

    2010-10-01

    ... 49 Transportation 3 2010-10-01 2010-10-01 false Test requirements for plastic pipelines. 192.513 Section 192.513 Transportation Other Regulations Relating to Transportation (Continued) PIPELINE AND... Test requirements for plastic pipelines. (a) Each segment of a plastic pipeline must be tested in...

  10. A homology-based pipeline for global prediction of post-translational modification sites

    Science.gov (United States)

    Chen, Xiang; Shi, Shao-Ping; Xu, Hao-Dong; Suo, Sheng-Bao; Qiu, Jian-Ding

    2016-05-01

    The pathways of protein post-translational modifications (PTMs) have been shown to play particularly important roles for almost any biological process. Identification of PTM substrates along with information on the exact sites is fundamental for fully understanding or controlling biological processes. Alternative computational strategies would help to annotate PTMs in a high-throughput manner. Traditional algorithms are suited for identifying the common organisms and tissues that have a complete PTM atlas or extensive experimental data. While annotation of rare PTMs in most organisms is a clear challenge. In this work, to this end we have developed a novel homology-based pipeline named PTMProber that allows identification of potential modification sites for most of the proteomes lacking PTMs data. Cross-promotion E-value (CPE) as stringent benchmark has been used in our pipeline to evaluate homology to known modification sites. Independent-validation tests show that PTMProber achieves over 58.8% recall with high precision by CPE benchmark. Comparisons with other machine-learning tools show that PTMProber pipeline performs better on general predictions. In addition, we developed a web-based tool to integrate this pipeline at http://bioinfo.ncu.edu.cn/PTMProber/index.aspx. In addition to pre-constructed prediction models of PTM, the website provides an extensional functionality to allow users to customize models.

  11. An image processing pipeline to detect and segment nuclei in muscle fiber microscopic images.

    Science.gov (United States)

    Guo, Yanen; Xu, Xiaoyin; Wang, Yuanyuan; Wang, Yaming; Xia, Shunren; Yang, Zhong

    2014-08-01

    Muscle fiber images play an important role in the medical diagnosis and treatment of many muscular diseases. The number of nuclei in skeletal muscle fiber images is a key bio-marker of the diagnosis of muscular dystrophy. In nuclei segmentation one primary challenge is to correctly separate the clustered nuclei. In this article, we developed an image processing pipeline to automatically detect, segment, and analyze nuclei in microscopic image of muscle fibers. The pipeline consists of image pre-processing, identification of isolated nuclei, identification and segmentation of clustered nuclei, and quantitative analysis. Nuclei are initially extracted from background by using local Otsu's threshold. Based on analysis of morphological features of the isolated nuclei, including their areas, compactness, and major axis lengths, a Bayesian network is trained and applied to identify isolated nuclei from clustered nuclei and artifacts in all the images. Then a two-step refined watershed algorithm is applied to segment clustered nuclei. After segmentation, the nuclei can be quantified for statistical analysis. Comparing the segmented results with those of manual analysis and an existing technique, we find that our proposed image processing pipeline achieves good performance with high accuracy and precision. The presented image processing pipeline can therefore help biologists increase their throughput and objectivity in analyzing large numbers of nuclei in muscle fiber images. © 2014 Wiley Periodicals, Inc.

  12. Vulnerability assessment of critical infrastructure : activity 2 progress report : information of SCADA systems and other security monitoring systems used in oil and gas pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Gu, G.P. [Natural Resources Canada, Ottawa, ON (Canada). CANMET Materials Technology Laboratory

    2007-12-15

    Many pipelines are located in remote regions and subjected to harsh environmental conditions. Damage to pipelines can have significant economic and environmental impacts. This paper discussed the use of supervisory control and data acquisition (SCADA) systems to monitor and control oil and gas pipeline infrastructure. SCADA systems are a real time, distributed computerized system with an intelligent capability for condition identification and fault diagnosis. SCADA systems can be used to capture thousands of miles of pipeline system process data and distribute it to pipeline operators, whose work stations are networked with the SCADA central host computer. SCADA architectures include monolithic, distributed, and networked systems that can be distributed across wide area networks (WANs). SCADA security strategies must be implemented to ensure corporate network security. Case studies of SCADA systems currently used by oil and gas operators in Alberta were also presented. 15 refs., 1 fig.

  13. Pipelines in Louisiana, Geographic NAD83, USGS (1999) [pipelines_la_usgs_1999

    Data.gov (United States)

    Louisiana Geographic Information Center — This dataset contains vector line map information of various pipelines throughout the State of Louisiana. The vector data contain selected base categories of...

  14. Regular pipeline maintenance of gas pipeline using technical operational diagnostics methods

    Energy Technology Data Exchange (ETDEWEB)

    Volentic, J [Gas Transportation Department, Slovensky plynarensky priemysel, Slovak Gas Industry, Bratislava (Slovakia)

    1998-12-31

    Slovensky plynarensky priemysel (SPP) has operated 17 487 km of gas pipelines in 1995. The length of the long-line pipelines reached 5 191 km, distribution network was 12 296 km. The international transit system of long-line gas pipelines ranged 1 939 km of pipelines of various dimensions. The described scale of transport and distribution system represents a multibillion investments stored in the ground, which are exposed to the environmental influences and to pipeline operational stresses. In spite of all technical and maintenance arrangements, which have to be performed upon operating gas pipelines, the gradual ageing takes place anyway, expressed in degradation process both in steel tube, as well as in the anti-corrosion coating. Within a certain time horizon, a consistent and regular application of methods and means of in-service technical diagnostics and rehabilitation of existing pipeline systems make it possible to save substantial investment funds, postponing the need in funds for a complex or partial reconstruction or a new construction of a specific gas section. The purpose of this presentation is to report on the implementation of the programme of in-service technical diagnostics of gas pipelines within the framework of regular maintenance of SPP s.p. Bratislava high pressure gas pipelines. (orig.) 6 refs.

  15. Regular pipeline maintenance of gas pipeline using technical operational diagnostics methods

    Energy Technology Data Exchange (ETDEWEB)

    Volentic, J. [Gas Transportation Department, Slovensky plynarensky priemysel, Slovak Gas Industry, Bratislava (Slovakia)

    1997-12-31

    Slovensky plynarensky priemysel (SPP) has operated 17 487 km of gas pipelines in 1995. The length of the long-line pipelines reached 5 191 km, distribution network was 12 296 km. The international transit system of long-line gas pipelines ranged 1 939 km of pipelines of various dimensions. The described scale of transport and distribution system represents a multibillion investments stored in the ground, which are exposed to the environmental influences and to pipeline operational stresses. In spite of all technical and maintenance arrangements, which have to be performed upon operating gas pipelines, the gradual ageing takes place anyway, expressed in degradation process both in steel tube, as well as in the anti-corrosion coating. Within a certain time horizon, a consistent and regular application of methods and means of in-service technical diagnostics and rehabilitation of existing pipeline systems make it possible to save substantial investment funds, postponing the need in funds for a complex or partial reconstruction or a new construction of a specific gas section. The purpose of this presentation is to report on the implementation of the programme of in-service technical diagnostics of gas pipelines within the framework of regular maintenance of SPP s.p. Bratislava high pressure gas pipelines. (orig.) 6 refs.

  16. A Novel Method to Enhance Pipeline Trajectory Determination Using Pipeline Junctions.

    Science.gov (United States)

    Sahli, Hussein; El-Sheimy, Naser

    2016-04-21

    Pipeline inspection gauges (pigs) have been used for many years to perform various maintenance operations in oil and gas pipelines. Different pipeline parameters can be inspected during the pig journey. Although pigs use many sensors to detect the required pipeline parameters, matching these data with the corresponding pipeline location is considered a very important parameter. High-end, tactical-grade inertial measurement units (IMUs) are used in pigging applications to locate the detected problems of pipeline using other sensors, and to reconstruct the trajectories of the pig. These IMUs are accurate; however, their high cost and large sizes limit their use in small diameter pipelines (8″ or less). This paper describes a new methodology for the use of MEMS-based IMUs using an extended Kalman filter (EKF) and the pipeline junctions to increase the position parameters' accuracy and to reduce the total RMS errors even during the unavailability of above ground markers (AGMs). The results of this new proposed method using a micro-electro-mechanical systems (MEMS)-based IMU revealed that the position RMS errors were reduced by approximately 85% compared to the standard EKF solution. Therefore, this approach will enable the mapping of small diameter pipelines, which was not possible before.

  17. Worldwide natural gas pipeline situation. Sekai no tennen gas pipeline jokyo

    Energy Technology Data Exchange (ETDEWEB)

    Arimoto, T [Osaka Gas Co. Ltd., Osaka (Japan)

    1993-03-01

    Constructing natural gas pipelines in wide areas requires investments of a huge amount. Many countries are building natural gas supply infrastructures under public support as nations' basic policy of promoting use of natural gas. This paper describes the present conditions of building pipelines in Western Europe, the U.S.A., Korea and Taiwan. In Western Europe, transporting companies established in line with the national policy own trunk pipelines and storage facilities, and import and distribute natural gas. The U.S.A. has 2300 small and large pipeline companies bearing transportation business. Pipelines extend about 1.9 million kilometers in total, with trunk pipelines accounting for about 440,000 kilometers. The companies are given eminent domain for the right of way. Korea has a plan to build a pipeline network with a distance of 1600 kilometers in around 2000. Taiwan has completed trunk pipelines extending 330 kilometers in two years. In Japan, the industry is preparing draft plans for wide area pipeline construction. 5 figs., 1 tab.

  18. Pipeline engineering. 8. rev. and enl. ed.

    International Nuclear Information System (INIS)

    Wagner, W.

    2000-01-01

    Apart from calculating the strength of pipeline components planning and design are the most important tasks on the areas of apparatus manufacturing, fluid engineering, process engineering and thermal engineering. It is therefore necessary that the flow diagrams of a plant are clearly understandable and in accordance with the technical rules even in the early stages of planning. This book concentrates on steel pipeline which are not laid underground but of the type used mostly in industrial applications. The pictures and equations provided can be used for the design of pipelines, tables and diagrams are given to facilitate estimation of elasticity, pipeline pressure losses and insulating thicknesses. An overview of the equations is given at the end of the book. Many examples facilitate learning. (orig.) [de

  19. Optimizing pipeline transportation using a fuzzy controller

    Energy Technology Data Exchange (ETDEWEB)

    Aramaki, Thiago L.; Correa, Joao L. L.; Montalvoa, Antonio F. F. [National Control and Operation Center Tranpetro, Rio de Janeiro, (Brazil)

    2010-07-01

    The optimization of pipeline transportation is a big concern for the transporter companies. This paper is the third of a series of three articles which investigated the application of a system to simulate the human ability to operate a pipeline in an optimized way. The present paper presents the development of a proportional integral (PI) fuzzy controller, in order to optimize pipeline transportation capacity. The fuzzy adaptive PI controller system was developed and tested with a hydraulic simulator. On-field data were used from the OSBRA pipeline. The preliminary tests showed that the performance of the software simulation was satisfactory. It varied the set-point of the conventional controller within the limits of flow meters. The transport capacity of the pipe was maximize without compromising the integrity of the commodities transported. The system developed proved that it can be easily deployed as a specialist optimizing system to be added to SCADA systems.

  20. Australia's changing natural gas and pipeline industry

    International Nuclear Information System (INIS)

    Kimber, M.J.

    1998-01-01

    The future is bright for continued development of Australia's natural gas pipeline infrastructure, as well as for privatization and private energy infrastructure growth. Gas demands are growing and the development of open access principles for all natural gas transmission and distribution pipelines heralds a much more market focused industry. Within the next few years gas-on-gas competition will apply to supply, pipelines, and retail marketing. No longer will operators be able to pass on high costs resulting from inefficiencies to their customers. This article describes the changing Australian gas industry, evaluates the drivers for change and looks at ways the industry is responding to new regulatory regimes and the development and use of new pipeline technology

  1. Citizenship program in near communities of pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Mascarenhas, Carina R.; Vilas Boas, Ianne P. [TELSAN Engenharia, Belo Horizonte, MG (Brazil); Bourscheid, Pitagoras [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil)

    2009-12-19

    During the construction of a pipeline, the IENE - Engineering Unit of PETROBRAS, responsible for the construction and erection of pipelines and related plants in northeastern Brazil, crossed more than 7 states and 250 counties, had implemented a social responsibility program, in special a citizenship program. This action was the result of community studies located near of the pipelines AID - Direct Influence Area (438 yards right and left of the pipeline) and through the evidence that those locations were poor and have no personal documents and citizen position in society. This paper intents to share the experience of IENE about its citizen program that worked in three big lines: community mobilization; citizenship qualification; and citizenship board. This last one, turns possible to people obtains theirs personal documents and exercise the plenitude of citizenship. (author)

  2. Transient leak detection in crude oil pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Beushausen, R.; Tornow, S.; Borchers, H. [Nord-West Oelleitung, Wilhelmshaven (Germany); Murphy, K.; Zhang, J. [Atmos International Ltd., Manchester (United Kingdom)

    2004-07-01

    Nord-West Oelleitung (NWO) operates 2 crude oil pipelines from Wilhemshaven to Koln and Hamburg respectively. German regulations for transporting flammable substances stipulate that 2 independent continuously working procedures be used to detect leaks. Leak detection pigs are used routinely to complement the surveillance system. This paper described the specific issues of transient leak detection in crude oil pipelines. It was noted that traditional methods have failed to detect leaks that occur immediately after pumps are turned on or off because the pressure wave generated by the transient dominates the pressure wave that results from the leak. Frequent operational changes in a pipeline are often accompanied by an increased number of false alarms and failure to detect leaks due to unsteady operations. NWO therefore decided to have the Atmos statistical pipeline leak detection (SPLD) system installed on their pipelines. The key to the SPLD system is the sequential probability ratio test. Comprehensive data validation is performed following reception of pipeline data from the supervisory control and data acquisition (SCADA) system. The validated data is then used to calculate the corrected flow imbalance, which is fed into the SPRT to determine if there is an increase in the flow imbalance. Pattern recognition is then used to distinguish a leak from operational changes. The SPLD is unique because it uses 3 computational pipeline monitoring methods simultaneously, namely modified volume balance, statistical analysis, and pressure and flow monitoring. The successful installation and testing of the SPLD in 2 crude oil pipelines was described along with the main difficulties associated with transient leaks. Field results were presented for both steady-state and transient conditions. 5 refs., 2 tabs., 16 figs.

  3. 78 FR 53190 - Pipeline Safety: Notice to Operators of Hazardous Liquid and Natural Gas Pipelines of a Recall on...

    Science.gov (United States)

    2013-08-28

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration [Docket No. PHMSA-2013-0185] Pipeline Safety: Notice to Operators of Hazardous Liquid and Natural Gas Pipelines of a Recall on Leak Repair Clamps Due to Defective Seal AGENCY: Pipeline and Hazardous Materials Safety...

  4. 78 FR 42889 - Pipeline Safety: Reminder of Requirements for Utility LP-Gas and LPG Pipeline Systems

    Science.gov (United States)

    2013-07-18

    ... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Part 192 [Docket No. PHMSA-2013-0097] Pipeline Safety: Reminder of Requirements for Utility LP-Gas and LPG Pipeline Systems AGENCY: Pipeline and Hazardous Materials Safety Administration (PHMSA), DOT. ACTION...

  5. Bignoniaceae Metabolites as Semiochemicals

    Directory of Open Access Journals (Sweden)

    Lucía Castillo

    2010-10-01

    Full Text Available Members of the family Bignoniaceae are mostly found in tropical and neo-tropical regions in America, Asia and Africa, although some of them are cultivated in other regions as ornamentals. Species belonging to this family have been extensively studied in regard to their pharmacological properties (as extracts and isolated compounds. The aim of this review is to summarize the reported scientific evidence about the chemical properties as well as that of the extracts and isolated compounds from species of this family, focusing mainly in insect-plant interactions. As it is known, this family is recognized for the presence of iridoids which are markers of oviposition and feeding preference to species which have became specialist feeders. Some herbivore species have also evolved to the point of been able to sequester iridoids and use them as defenses against their predators. However, iridoids also exhibit anti-insect properties, and therefore they may be good lead molecules to develop botanical pesticides. Other secondary metabolites, such as quinones, and whole extracts have also shown potential as anti-insect agents.

  6. SNP-PHAGE – High throughput SNP discovery pipeline

    Directory of Open Access Journals (Sweden)

    Cregan Perry B

    2006-10-01

    Full Text Available Abstract Background Single nucleotide polymorphisms (SNPs as defined here are single base sequence changes or short insertion/deletions between or within individuals of a given species. As a result of their abundance and the availability of high throughput analysis technologies SNP markers have begun to replace other traditional markers such as restriction fragment length polymorphisms (RFLPs, amplified fragment length polymorphisms (AFLPs and simple sequence repeats (SSRs or microsatellite markers for fine mapping and association studies in several species. For SNP discovery from chromatogram data, several bioinformatics programs have to be combined to generate an analysis pipeline. Results have to be stored in a relational database to facilitate interrogation through queries or to generate data for further analyses such as determination of linkage disequilibrium and identification of common haplotypes. Although these tasks are routinely performed by several groups, an integrated open source SNP discovery pipeline that can be easily adapted by new groups interested in SNP marker development is currently unavailable. Results We developed SNP-PHAGE (SNP discovery Pipeline with additional features for identification of common haplotypes within a sequence tagged site (Haplotype Analysis and GenBank (-dbSNP submissions. This tool was applied for analyzing sequence traces from diverse soybean genotypes to discover over 10,000 SNPs. This package was developed on UNIX/Linux platform, written in Perl and uses a MySQL database. Scripts to generate a user-friendly web interface are also provided with common queries for preliminary data analysis. A machine learning tool developed by this group for increasing the efficiency of SNP discovery is integrated as a part of this package as an optional feature. The SNP-PHAGE package is being made available open source at http://bfgl.anri.barc.usda.gov/ML/snp-phage/. Conclusion SNP-PHAGE provides a bioinformatics

  7. Structural elucidation of in vitro and in vivo metabolites of emodin in rats by LC -ESI-MS/MS

    International Nuclear Information System (INIS)

    Wang, D.; Zhu, Q.; Chen, G.; Liu, B.; Chen, L.

    2013-01-01

    Emodin is a widely occurring natural product and has been studied extensively for its varieties of pharmacological activity. In attempt to know more deeply about its metabolism, this paper investigated the metabolites of emodin in rats, including its in vitro conversion product by intestinal microflora and urinary metabolites. The detection of emodin metabolites was performed by liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) with negative ion mode. By comparing the changes of metabolites in molecular masses (delta M), product ions and retention times with those of the parent drug, six metabolites (8-O-methylemodin, omega-hydroxyemodin, x-hydroxyemodin, emodin glucuronide, hydroxyemodin glucuronide and emodin sulfate) were observed,and what is more, the metabolite hydroxyemodin glucuronide was first reported in this article. For some metabolites, identification of their precise structure needs to be confirmed by other techniques such as the 1H and 13C NMR. (author)

  8. Black powder in gas pipelines

    Energy Technology Data Exchange (ETDEWEB)

    Sherik, Abdelmounam [Saudi Aramco, Dhahran (Saudi Arabia)

    2009-07-01

    Despite its common occurrence in the gas industry, black powder is a problem that is not well understood across the industry, in terms of its chemical and physical properties, source, formation, prevention or management of its impacts. In order to prevent or effectively manage the impacts of black powder, it is essential to have knowledge of its chemical and physical properties, formation mechanisms and sources. The present paper is divided into three parts. The first part of this paper is a synopsis of published literature. The second part reviews the recent laboratory and field work conducted at Saudi Aramco Research and Development Center to determine the compositions, properties, sources and formation mechanisms of black powder in gas transmission systems. Microhardness, nano-indentation, X-ray Diffraction (XRD), X-ray Fluorescence (XRF) and Scanning Electron Microscopy (SEM) techniques were used to analyze a large number of black powder samples collected from the field. Our findings showed that black powder is generated inside pipelines due to internal corrosion and that the composition of black powder is dependent on the composition of transported gas. The final part presents a summary and brief discussion of various black powder management methods. (author)

  9. Simplified Technique for Predicting Offshore Pipeline Expansion

    Science.gov (United States)

    Seo, J. H.; Kim, D. K.; Choi, H. S.; Yu, S. Y.; Park, K. S.

    2018-06-01

    In this study, we propose a method for estimating the amount of expansion that occurs in subsea pipelines, which could be applied in the design of robust structures that transport oil and gas from offshore wells. We begin with a literature review and general discussion of existing estimation methods and terminologies with respect to subsea pipelines. Due to the effects of high pressure and high temperature, the production of fluid from offshore wells is typically caused by physical deformation of subsea structures, e.g., expansion and contraction during the transportation process. In severe cases, vertical and lateral buckling occurs, which causes a significant negative impact on structural safety, and which is related to on-bottom stability, free-span, structural collapse, and many other factors. In addition, these factors may affect the production rate with respect to flow assurance, wax, and hydration, to name a few. In this study, we developed a simple and efficient method for generating a reliable pipe expansion design in the early stage, which can lead to savings in both cost and computation time. As such, in this paper, we propose an applicable diagram, which we call the standard dimensionless ratio (SDR) versus virtual anchor length (L A ) diagram, that utilizes an efficient procedure for estimating subsea pipeline expansion based on applied reliable scenarios. With this user guideline, offshore pipeline structural designers can reliably determine the amount of subsea pipeline expansion and the obtained results will also be useful for the installation, design, and maintenance of the subsea pipeline.

  10. Outlook '98 - Gas and oil pipelines

    International Nuclear Information System (INIS)

    Curtis, B.

    1998-01-01

    Due to rising North American demand, especially by the United States, by the end of 1997 there were plans to build 15 new pipelines over the next three years, at an estimated cost of $17 billion. Canada''s proximity to the United States, combined with huge Canadian reserves, and the fact that Canada already supplies some 15 per cent of U.S. requirements, makes Canada the obvious choice for filling future demand. This explains why most, if not all, current pipeline expansion projects are targeting markets in the U.S. Market forces will determine which of the projects will actually go forward. From the point of view of the Canadian Energy Pipeline Association pipeline regulatory reform, pipeline safety, integrity and climate change will be the Association''s key concerns during 1998. To that end, the Association is cooperating with the National Energy Board in a multi-million dollar study of stress corrosion cracking. The Association has also developed a Manual of Recommended Practices for the use of member companies to assist them to tailor stress corrosion cracking practices to their own operations. Meeting Canada''s commitment at the Kyoto Conference for greenhouse gas emissions of six per cent below 1990 levels by the year 2008 to 2012 (in effect a 25 per cent reduction from the level anticipated in the year 2000), a very difficult task according to industry experts, is also among the high priority items on the pipeline industry''s agenda for 1998

  11. Market Brief : Turkey oil and gas pipelines

    International Nuclear Information System (INIS)

    2001-08-01

    This report presented some quick facts about oil and gas pipelines in Turkey and presented opportunities for trade. The key players and customers in the oil and gas sector were described along with an export check list. Turkey is looking into becoming an energy bridge between oil and gas producing countries in the Middle East, Central Asia and Europe. The oil and gas sectors are dominated by the Turkish Petroleum Corporation, a public enterprise dealing with exploration and production, and the State Pipeline Corporation which deals with energy transmission. They are also the key buyers of oil and gas equipment in Turkey. There are several pipelines connecting countries bordering the Caspian Sea. Opportunities exist in the areas of engineering consulting as well as contracting services for oil and gas pipeline transmission and distribution. Other opportunities lie in the area of pipeline construction, rehabilitation, materials, equipment, installation, and supervisory control and data acquisition (SCADA) systems. Currently, the major players are suppliers from Italy, Germany, France, United States and Japan. Turkey has no trade barriers and imported equipment and materials are not subjected to any restriction. The oil and gas market in Turkey expected in increase by an average annual growth rate of 15 per cent from 2001 to 2003. A brief description of pipeline projects in Turkey was presented in this report along with a list of key contacts and support services. 25 refs., 1 append

  12. World pipeline work set for rapid growth

    International Nuclear Information System (INIS)

    Anon.

    1992-01-01

    This paper reports on international pipeline construction which has entered a fast-growth period, accelerated by the new political and economic realities around the world and increasing demand for natural gas, crude oil and refined petroleum products. Many projects are under way or in planning for completion in the mid- to late 1990s in Europe, South America, Asia and the Middle East. Pipeline And Gas Journal's projection calls for construction or other work on 30,700 miles of new natural gas, crude oil and refined products pipelines in the 1992-93 period outside Canada and the U.S. These projects will cost an estimated $30 billion-plus. Natural gas pipelines will comprise most of the mileage, accounting for almost 23,000 miles at an estimated cost of $26.3 billion. Products pipelines, planned or under construction, will add another 5,800 miles at a cost of $2.8 billion. Crude oil pipelines, at a minimum, will total 1,900 new miles at a cost of slightly under $1 billion

  13. Seismic vulnerability of natural gas pipelines

    International Nuclear Information System (INIS)

    Lanzano, Giovanni; Salzano, Ernesto; Santucci de Magistris, Filippo; Fabbrocino, Giovanni

    2013-01-01

    This work deals with the analysis of the interaction of earthquakes with pipelines transporting and distributing natural gas for industrial and civil use. To this aim, a new large data-set of seismic information classified on the basis of selected seismological, geotechnical and structural parameters is presented and analyzed. Particular attention is devoted to continuous pipelines under strong ground shaking, which is the geotechnical effect due to passage of waves in soil. Results are provided in terms of the likelihood of the loss of containment with respect to Peak Ground Velocity (PGV), a seismic intensity parameter which may be easily retrieved either from local authorities and public databases or from site dependent hazard analysis. Fragility functions and seismic intensity threshold values for the failure and for the loss of containment of gas from pipeline systems are also given. The obtained functions can be easily implemented in existing codes and guidelines for industrial risk assessment, land-use planning, and for the design of public distribution network, with specific reference to Natural—Technological interaction (Na-Tech). -- Highlights: • The seismic vulnerability of natural gas pipelines is analyzed. • A collection of data for pipelines damaged by earthquake is given. • Damage states and risk states for pipelines are defined. • Consequence-based fragility formulations for the loss of containment are given • Seismic threshold values for public authority, risk assessment and gas distribution are shown

  14. Rupture detection device for pipeline in reactor

    International Nuclear Information System (INIS)

    Murakoshi, Toshinori; Kanamori, Shigeru; Shirasawa, Hirofumi.

    1991-01-01

    A difference between each of the pressures in a plurality of pipelines disposed in a shroud a reactor container and a pressure outside of the shroud is detected, thereby enabling safety and reliable detection even for simultaneous rapture and leakage of the pipelines. That is, a difference between the pressure of a steam phase outside of the shroud and a pressure in each of a plurality of low pressure injection pipelines in an emergency core cooling system opened to the inside of the shroud in the reactor container is detected by a difference pressure detector for each of them. Then, an average value for each of the pressure difference is determined, which is compared with the difference pressure obtained from each of the detectors in a comparator. Then, if openings should be caused by rupture, leakage or the like in any of the pipelines, the pressure in that pipeline is lowered to a vicinity of an atmospheric pressure and at the vapor phase pressure at the lowest. If the pressure is compared with the average value by the comparator, a negative difference is caused. Accordingly, an alarming unit generates an alarm based on the pressure difference signal, thereby enabling to specify the failed pipeline and provide an announce of the failure. (I.S.)

  15. GRAVITY PIPELINE TRANSPORT FOR HARDENING FILLING MIXTURES

    Directory of Open Access Journals (Sweden)

    Leonid KROUPNIK

    2015-12-01

    Full Text Available In underground mining of solid minerals becoming increasingly common development system with stowing hardening mixtures. In this case the natural ore array after it is replaced by an artificial excavation of solidified filling mixture consisting of binder, aggregates and water. Such a mixture is prepared on the surface on special stowing complexes and transported underground at special stowing pipelines. However, it is transported to the horizons of a few kilometers, which requires a sustainable mode of motion of such a mixture in the pipeline. Hardening stowing mixture changes its rheological characteristics over time, which complicates the calculation of the parameters of pipeline transportation. The article suggests a method of determining the initial parameters of such mixtures: the status coefficient, indicator of transportability, coefficient of hydrodynamic resistance to motion of the mixture. These indicators characterize the mixture in terms of the possibility to transport it through pipes. On the basis of these indicators is proposed methodology for calculating the parameters of pipeline transport hardening filling mixtures in drift mode when traffic on the horizontal part of the mixture under pressure column of the mixture in the vertical part of the backfill of the pipeline. This technique allows stable operation is guaranteed to provide pipeline transportation.

  16. Hal: an automated pipeline for phylogenetic analyses of genomic data.

    Science.gov (United States)

    Robbertse, Barbara; Yoder, Ryan J; Boyd, Alex; Reeves, John; Spatafora, Joseph W

    2011-02-07

    The rapid increase in genomic and genome-scale data is resulting in unprecedented levels of discrete sequence data available for phylogenetic analyses. Major analytical impasses exist, however, prior to analyzing these data with existing phylogenetic software. Obstacles include the management of large data sets without standardized naming conventions, identification and filtering of orthologous clusters of proteins or genes, and the assembly of alignments of orthologous sequence data into individual and concatenated super alignments. Here we report the production of an automated pipeline, Hal that produces multiple alignments and trees from genomic data. These alignments can be produced by a choice of four alignment programs and analyzed by a variety of phylogenetic programs. In short, the Hal pipeline connects the programs BLASTP, MCL, user specified alignment programs, GBlocks, ProtTest and user specified phylogenetic programs to produce species trees. The script is available at sourceforge (http://sourceforge.net/projects/bio-hal/). The results from an example analysis of Kingdom Fungi are briefly discussed.

  17. PGPB's pipeline integrity management system

    Energy Technology Data Exchange (ETDEWEB)

    Urencio, Claudio; Sanchez, Luis; Moreno, Carlos [PGPB - Pemex Gas y Petroquimica Basica (Mexico)

    2005-07-01

    Pemex Gas has 12,134 km of natural gas transmission pipelines, 1,835 Km for LPG and 1,216 Km for basic petrochemicals. The must part of this infrastructure was built in the 70's and reaching their 35 years of operating life. To manage the integrity of the three systems, Pemex Gas has a portfolio of technological tools. This tools allow the Company to improves the decision taking, align the budget with their strategic goals, achieve efficient asset utilization, and increase the value generation. The process of integrity management starts with the risk evaluation on assets, with the use of a software called IAP (Integrity Assessment Program). This information is integrated to the SIIA (Assets Identification System). The results of both software are used to the construction of the Risk Atlas, which identifies graphically each pipeline segment, with their related risk and factors that influence their behavior. The Risk Atlas gives us information about the consequences to the people, environment and facilities, so we can design customized plans to prevent or mitigate emergencies. Finally a detailed analysis of the resulting information and scenarios simulations help us to determine the best investment projects that will minimize the risk through all our assets. (author)

  18. Identification of a classical mutant in the industrial host Aspergillus niger by systems genetics: LaeA is required for citric acid production and regulates the formation of some secondary metabolites

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jing; Arentshorst, Mark; Nair, Deepa; Dai, Ziyu; Baker, Scott E.; Frisvad, Jens; Nielsen, Kristian F.; Punt, Peter J.; Ram, Arthur F.

    2016-01-11

    Rapid acidification of the culture medium by the production of organic acids and the production of acid-induced proteases are key characteristics of the filamentous fungus Aspergillus niger. The D15 mutant of A. niger is non-acidifying mutant and used often for the expression of recombinant proteins in A. niger, because of its reduced production of extracellular proteases under non-acidic conditions. In this study, the D15 mutant is characterized in detail. Strongly reduced levels of citric and oxalic acid were observed in the D15 mutant both in shake flask cultures and in controlled batch cultivations. To identify the mutation in the D15 mutant, we successfully combined high-throughput sequencing (Illumina) with bulk segregant analysis. Because of the lack of a sexual cycle for A. niger, the parasexual cycle was used to generate a pool of segregants. From the 52 single nucleotide polymorphisms (SNPs) between the parental strains, three SNPs were homozygous in the genomic DNA of pool of segregants. These three SNPs mapped to all the right arm of chromosome II, indicating that this region contains the genetic locus affecting the phenotype related to acid production. Of the three SNPs, one mutation resulted in a missense mutation in the gene encoding the A. niger homologue of the A. nidulans methyltransferase gene laeA. Complementation analysis of the original mutant with the laeA gene and targeted disruption of laeA further confirmed that LaeA is involved in citric acid production in A. niger lab (N402) and citric acid production strains (ATCC 11414). Analysis of the secondary metabolite (SM) profile of the laeA mutants indicate that LaeA is required for the production of several SMs (asperrubrol, atromentin and JBIR86), but deletion of laeA also resulted in the presence of SMs (aspernigrin A/B and BMS-192548) that were not detected in the wild-type strain. The levels of ten other SMs were not strongly affected as a result of laeA deletion indicating that only a

  19. MetCCS predictor: a web server for predicting collision cross-section values of metabolites in ion mobility-mass spectrometry based metabolomics.

    Science.gov (United States)

    Zhou, Zhiwei; Xiong, Xin; Zhu, Zheng-Jiang

    2017-07-15

    In metabolomics, rigorous structural identification of metabolites presents a challenge for bioinformatics. The use of collision cross-section (CCS) values of metabolites derived from ion mobility-mass spectrometry effectively increases the confidence of metabolite identification, but this technique suffers from the limit number of available CCS values. Currently, there is no software available for rapidly generating the metabolites' CCS values. Here, we developed the first web server, namely, MetCCS Predictor, for predicting CCS values. It can predict the CCS values of metabolites using molecular descriptors within a few seconds. Common users with limited background on bioinformatics can benefit from this software and effectively improve the metabolite identification in metabolomics. The web server is freely available at: http://www.metabolomics-shanghai.org/MetCCS/ . jiangzhu@sioc.ac.cn. Supplementary data are available at Bioinformatics online. © The Author (2017). Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com

  20. Secondary metabolites from marine microorganisms.

    Science.gov (United States)

    Kelecom, Alphonse

    2002-03-01

    After 40 years of intensive research, chemistry of marine natural products has become a mature field. Since 1995, there are signals of decreased interest in the search of new metabolites from traditional sources such as macroalgae and octocorals, and the number of annual reports on marine sponges stabilized. On the contrary, metabolites from microorganisms is a rapidly growing field, due, at least in part, to the suspicion that a number of metabolites obtained from algae and invertebrates may be produced by associated microorganisms. Studies are concerned with bacteria and fungi, isolated from seawater, sediments, algae, fish and mainly from marine invertebrates such as sponges, mollusks, tunicates, coelenterates and crustaceans. Although it is still to early to define tendencies, it may be stated that the metabolites from microorganisms are in most cases quite different from those produced by the invertebrate hosts. Nitrogenated metabolites predominate over acetate derivatives, and terpenes are uncommon. Among the latter, sesquiterpenes, diterpenes and carotenes have been isolated; among nitrogenated metabolites, amides, cyclic peptides and indole alkaloids predominate.

  1. Secondary metabolites from marine microorganisms

    Directory of Open Access Journals (Sweden)

    KELECOM ALPHONSE

    2002-01-01

    Full Text Available After 40 years of intensive research, chemistry of marine natural products has become a mature field. Since 1995, there are signals of decreased interest in the search of new metabolites from traditional sources such as macroalgae and octocorals, and the number of annual reports on marine sponges stabilized. On the contrary, metabolites from microorganisms is a rapidly growing field, due, at least in part, to the suspicion that a number of metabolites obtained from algae and invertebrates may be produced by associated microorganisms. Studies are concerned with bacteria and fungi, isolated from seawater, sediments, algae, fish and mainly from marine invertebrates such as sponges, mollusks, tunicates, coelenterates and crustaceans. Although it is still to early to define tendencies, it may be stated that the metabolites from microorganisms are in most cases quite different from those produced by the invertebrate hosts. Nitrogenated metabolites predominate over acetate derivatives, and terpenes are uncommon. Among the latter, sesquiterpenes, diterpenes and carotenes have been isolated; among nitrogenated metabolites, amides, cyclic peptides and indole alkaloids predominate.

  2. Overview of interstate hydrogen pipeline systems

    International Nuclear Information System (INIS)

    Gillette, J.L.; Kolpa, R.L.

    2008-01-01

    The use of hydrogen in the energy sector of the United States is projected to increase significantly in the future. Current uses are predominantly in the petroleum refining sector, with hydrogen also being used in the manufacture of chemicals and other specialized products. Growth in hydrogen consumption is likely to appear in the refining sector, where greater quantities of hydrogen will be required as the quality of the raw crude decreases, and in the mining and processing of tar sands and other energy resources that are not currently used at a significant level. Furthermore, the use of hydrogen as a transportation fuel has been proposed both by automobile manufacturers and the federal government. Assuming that the use of hydrogen will significantly increase in the future, there would be a corresponding need to transport this material. A variety of production technologies are available for making hydrogen, and there are equally varied raw materials. Potential raw materials include natural gas, coal, nuclear fuel, and renewables such as solar, wind, or wave energy. As these raw materials are not uniformly distributed throughout the United States, it would be necessary to transport either the raw materials or the hydrogen long distances to the appropriate markets. While hydrogen may be transported in a number of possible forms, pipelines currently appear to be the most economical means of moving it in large quantities over great distances. One means of controlling hydrogen pipeline costs is to use common rights-of-way (ROWs) whenever feasible. For that reason, information on hydrogen pipelines is the focus of this document. Many of the features of hydrogen pipelines are similar to those of natural gas pipelines. Furthermore, as hydrogen pipeline networks expand, many of the same construction and operating features of natural gas networks would be replicated. As a result, the description of hydrogen pipelines will be very similar to that of natural gas pipelines

  3. Overview of interstate hydrogen pipeline systems.

    Energy Technology Data Exchange (ETDEWEB)

    Gillette, J .L.; Kolpa, R. L

    2008-02-01

    The use of hydrogen in the energy sector of the United States is projected to increase significantly in the future. Current uses are predominantly in the petroleum refining sector, with hydrogen also being used in the manufacture of chemicals and other specialized products. Growth in hydrogen consumption is likely to appear in the refining sector, where greater quantities of hydrogen will be required as the quality of the raw crude decreases, and in the mining and processing of tar sands and other energy resources that are not currently used at a significant level. Furthermore, the use of hydrogen as a transportation fuel has been proposed both by automobile manufacturers and the federal government. Assuming that the use of hydrogen will significantly increase in the future, there would be a corresponding need to transport this material. A variety of production technologies are available for making hydrogen, and there are equally varied raw materials. Potential raw materials include natural gas, coal, nuclear fuel, and renewables such as solar, wind, or wave energy. As these raw materials are not uniformly distributed throughout the United States, it would be necessary to transport either the raw materials or the hydrogen long distances to the appropriate markets. While hydrogen may be transported in a number of possible forms, pipelines currently appear to be the most economical means of moving it in large quantities over great distances. One means of controlling hydrogen pipeline costs is to use common rights-of-way (ROWs) whenever feasible. For that reason, information on hydrogen pipelines is the focus of this document. Many of the features of hydrogen pipelines are similar to those of natural gas pipelines. Furthermore, as hydrogen pipeline networks expand, many of the same construction and operating features of natural gas networks would be replicated. As a result, the description of hydrogen pipelines will be very similar to that of natural gas pipelines

  4. Integrated surface management for pipeline construction: The Mid-America Pipeline Company Four Corners Project

    Science.gov (United States)

    Maria L. Sonett

    1999-01-01

    Integrated surface management techniques for pipeline construction through arid and semi-arid rangeland ecosystems are presented in a case history of a 412-mile pipeline construction project in New Mexico. Planning, implementation and monitoring for restoration of surface hydrology, soil stabilization, soil cover, and plant species succession are discussed. Planning...

  5. 75 FR 4134 - Pipeline Safety: Leak Detection on Hazardous Liquid Pipelines

    Science.gov (United States)

    2010-01-26

    ... safety study on pipeline Supervisory Control and Data Acquisition (SCADA) systems (NTSB/SS-05/02). The... indications of a leak on the SCADA interface was the impetus for this study. The NTSB examined 13 hazardous... pipelines, the line balance technique for leak detection can often be performed with manual calculations...

  6. 77 FR 32631 - Lion Oil Trading & Transportation, Inc., Magnolia Pipeline Company, and El Dorado Pipeline...

    Science.gov (United States)

    2012-06-01

    ... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. OR12-13-000] Lion Oil... of the Commission's Rules of Practice and Procedure, 18 CFR 385.202 (2011), Lion Oil Trading & Transportation, Inc., Magnolia Pipeline Company, and El Dorado Pipeline Company, collectively, Lion Companies...

  7. The Dangers of Pipeline Thinking: How the School-to-Prison Pipeline Metaphor Squeezes out Complexity

    Science.gov (United States)

    McGrew, Ken

    2016-01-01

    In this essay Ken McGrew critically examines the "school-to-prison pipeline" metaphor and associated literature. The origins and influence of the metaphor are compared with the origins and influence of the competing "prison industrial complex" concept. Specific weaknesses in the "pipeline literature" are examined.…

  8. Novel R pipeline for analyzing Biolog Phenotypic MicroArray data.

    Directory of Open Access Journals (Sweden)

    Minna Vehkala

    Full Text Available Data produced by Biolog Phenotype MicroArrays are longitudinal measurements of cells' respiration on distinct substrates. We introduce a three-step pipeline to analyze phenotypic microarray data with novel procedures for grouping, normalization and effect identification. Grouping and normalization are standard problems in the analysis of phenotype microarrays defined as categorizing bacterial responses into active and non-active, and removing systematic errors from the experimental data, respectively. We expand existing solutions by introducing an important assumption that active and non-active bacteria manifest completely different metabolism and thus should be treated separately. Effect identification, in turn, provides new insights into detecting differing respiration patterns between experimental conditions, e.g. between different combinations of strains and temperatures, as not only the main effects but also their interactions can be evaluated. In the effect identification, the multilevel data are effectively processed by a hierarchical model in the Bayesian framework. The pipeline is tested on a data set of 12 phenotypic plates with bacterium Yersinia enterocolitica. Our pipeline is implemented in R language on the top of opm R package and is freely available for research purposes.

  9. MAGERI: Computational pipeline for molecular-barcoded targeted resequencing.

    Directory of Open Access Journals (Sweden)

    Mikhail Shugay

    2017-05-01

    Full Text Available Unique molecular identifiers (UMIs show outstanding performance in targeted high-throughput resequencing, being the most promising approach for the accurate identification of rare variants in complex DNA samples. This approach has application in multiple areas, including cancer diagnostics, thus demanding dedicated software and algorithms. Here we introduce MAGERI, a computational pipeline that efficiently handles all caveats of UMI-based analysis to obtain high-fidelity mutation profiles and call ultra-rare variants. Using an extensive set of benchmark datasets including gold-standard biological samples with known variant frequencies, cell-free DNA from tumor patient blood samples and publicly available UMI-encoded datasets we demonstrate that our method is both robust and efficient in calling rare variants. The versatility of our software is supported by accurate results obtained for both tumor DNA and viral RNA samples in datasets prepared using three different UMI-based protocols.

  10. Skaha Lake crossing, innovations in pipeline installation

    International Nuclear Information System (INIS)

    Fernandez, M.L.; Bryce, P.W.; Smith, J.D.

    1995-01-01

    This paper describes the construction of a 10.8 km long NPS16 (406 mm, 16 inch diameter) pipeline, across Skaha Lake, in the south Okanagan valley, British Columbia, Canada. The water crossing is part of the 32 km South Okanagan Natural Gas Pipeline Project (SONG) operated by BC Gas. The pipeline is located in a region dependent on year-round tourism. Therefore, the design and construction was influenced by sensitive environmental and land use concerns. From earlier studies, BC Gas identified surface tow or lay as preferred installation methods. The contractor, Fraser River Pile and Dredge departed from a conventional laybarge methodology after evaluating environmental data and assessing locally available equipment. The contractor proposed a surface tow with multiple surface tie-ins. This approach modification to the ''Surface Tow and Buoy Release Method'' (STBRM) used previously with success on relatively short underwater pipelines. A total of 10 pipe strings, up to 1 km long, were towed into position on the lake and tied-in using a floating platform. The joined pipeline was lowered to the lakebed by divers releasing buoys while tension was maintained from a winch barge at the free end of the pipeline. From analysis and field verified measurement the installation stresses were well below the allowable limits during all phases of construction. The entire construction, including mobilization and demobilization, lasted less than three months, and actual pipelaying less than three weeks. Installation was completed within budget and on schedule, without any environmental or safety related incidents. The SONG pipeline became operational in December 1994

  11. A novel approach to pipeline tensioner modeling

    Energy Technology Data Exchange (ETDEWEB)

    O' Grady, Robert; Ilie, Daniel; Lane, Michael [MCS Software Division, Galway (Ireland)

    2009-07-01

    As subsea pipeline developments continue to move into deep and ultra-deep water locations, there is an increasing need for the accurate prediction of expected pipeline fatigue life. A significant factor that must be considered as part of this process is the fatigue damage sustained by the pipeline during installation. The magnitude of this installation-related damage is governed by a number of different agents, one of which is the dynamic behavior of the tensioner systems during pipe-laying operations. There are a variety of traditional finite element methods for representing dynamic tensioner behavior. These existing methods, while basic in nature, have been proven to provide adequate forecasts in terms of the dynamic variation in typical installation parameters such as top tension and sagbend/overbend strain. However due to the simplicity of these current approaches, some of them tend to over-estimate the frequency of tensioner pay out/in under dynamic loading. This excessive level of pay out/in motion results in the prediction of additional stress cycles at certain roller beds, which in turn leads to the prediction of unrealistic fatigue damage to the pipeline. This unwarranted fatigue damage then equates to an over-conservative value for the accumulated damage experienced by a pipeline weld during installation, and so leads to a reduction in the estimated fatigue life for the pipeline. This paper describes a novel approach to tensioner modeling which allows for greater control over the velocity of dynamic tensioner pay out/in and so provides a more accurate estimation of fatigue damage experienced by the pipeline during installation. The paper reports on a case study, as outlined in the proceeding section, in which a comparison is made between results from this new tensioner model and from a more conventional approach. The comparison considers typical installation parameters as well as an in-depth look at the predicted fatigue damage for the two methods

  12. Pipeline capacity and heavy oil markets

    International Nuclear Information System (INIS)

    Scott, G.R.

    1993-01-01

    Aspects of transporting heavy crude to markets from Canadian sources are discussed, with reference to pipeline expansion, western Canadian crude supply, and exports to various Petroleum Administration for Defense Districts (PADDs) in the USA. Pipeline expansions have been proposed by Interprovincial Pipeline, Trans Mountain Pipeline, Rangeland, and Wascana, and some of these proposals are in the review stage. Western Canadian crude supply is expected to peak at 1.9 million bbl/d in 1996. An increase in heavy crude supply is expected but this increase will not be sufficient to offset a decline in light crude supply. Adequate pipeline capacity should exist with the Interprovincial expansion volume of 170,000 bbl/d and the Trans Mountain expansion of 38,000 bbl/d forecast to be in place by 1995. Canadian crude exports to the USA have steadily increased since 1989, and heavy crude exports have grown an average of 20,000 bbl/d each year. In PADD Region IV, oil production is declining and ca 20,000 bbl/d of heavy crude will be needed by the year 2000; additional pipeline capacity will be required. In PADD Region II, Canadian heavy crude imports are ca 390,000 bbl/d and further market opportunities exist, after the Interprovincial expansion is complete. When the various combinations of possible pipeline expansions or reversals are considered, a range of heavy crude near-term growth potentials is obtained in which Canadian heavy oil would displace offshore heavy oil supplied to USA refineries. This potential is seen to range from 35,000 bbl/d to 200,000 bbl/d. 7 refs., 20 figs., 3 tabs

  13. A Decade in the MIST: Learnings from Investigations of Drug Metabolites in Drug Development under the "Metabolites in Safety Testing" Regulatory Guidance.

    Science.gov (United States)

    Schadt, Simone; Bister, Bojan; Chowdhury, Swapan K; Funk, Christoph; Hop, Cornelis E C A; Humphreys, W Griffith; Igarashi, Fumihiko; James, Alexander D; Kagan, Mark; Khojasteh, S Cyrus; Nedderman, Angus N R; Prakash, Chandra; Runge, Frank; Scheible, Holger; Spracklin, Douglas K; Swart, Piet; Tse, Susanna; Yuan, Josh; Obach, R Scott

    2018-06-01

    Since the introduction of metabolites in safety testing (MIST) guidance by the Food and Drug Administration in 2008, major changes have occurred in the experimental methods for the identification and quantification of metabolites, ways to evaluate coverage of metabolites, and the timing of critical clinical and nonclinical studies to generate this information. In this cross-industry review, we discuss how the increased focus on human drug metabolites and their potential contribution to safety and drug-drug interactions has influenced the approaches taken by industry for the identification and quantitation of human drug metabolites. Before the MIST guidance was issued, the method of choice for generating comprehensive metabolite profile was radio chromatography. The MIST guidance increased the focus on human drug metabolites and their potential contribution to safety and drug-drug interactions and led to changes in the practices of drug metabolism scientists. In addition, the guidance suggested that human metabolism studies should also be accelerated, which has led to more frequent determination of human metabolite profiles from multiple ascending-dose clinical studies. Generating a comprehensive and quantitative profile of human metabolites has become a more urgent task. Together with technological advances, these events have led to a general shift of focus toward earlier human metabolism studies using high-resolution mass spectrometry and to a reduction in animal radiolabel absorption/distribution/metabolism/excretion studies. The changes induced by the MIST guidance are highlighted by six case studies included herein, reflecting different stages of implementation of the MIST guidance within the pharmaceutical industry. Copyright © 2018 by The American Society for Pharmacology and Experimental Therapeutics.

  14. A proposed scalable design and simulation of wireless sensor network-based long-distance water pipeline leakage monitoring system.

    Science.gov (United States)

    Almazyad, Abdulaziz S; Seddiq, Yasser M; Alotaibi, Ahmed M; Al-Nasheri, Ahmed Y; BenSaleh, Mohammed S; Obeid, Abdulfattah M; Qasim, Syed Manzoor

    2014-02-20

    Anomalies such as leakage and bursts in water pipelines have severe consequences for the environment and the economy. To ensure the reliability of water pipelines, they must be monitored effectively. Wireless Sensor Networks (WSNs) have emerged as an effective technology for monitoring critical infrastructure such as water, oil and gas pipelines. In this paper, we present a scalable design and simulation of a water pipeline leakage monitoring system using Radio Frequency IDentification (RFID) and WSN technology. The proposed design targets long-distance aboveground water pipelines that have special considerations for maintenance, energy consumption and cost. The design is based on deploying a group of mobile wireless sensor nodes inside the pipeline and allowing them to work cooperatively according to a prescheduled order. Under this mechanism, only one node is active at a time, while the other nodes are sleeping. The node whose turn is next wakes up according to one of three wakeup techniques: location-based, time-based and interrupt-driven. In this paper, mathematical models are derived for each technique to estimate the corresponding energy consumption and memory size requirements. The proposed equations are analyzed and the results are validated using simulation.

  15. Federal regulation of the pipeline industry: a summary review. [Effects on use of energy-conservation technology

    Energy Technology Data Exchange (ETDEWEB)

    Banks, W. F.

    1977-05-31

    The principal purposes of this report are: (1) identification of the jurisdiction areas of the Federal pipeline-regulating agencies, and (2) examination of the amenability of the regulatory system to the introduction of energy-conservative new technology into the pipeline industry. The history, scope, and agency structure of state and Federal regulation are recounted and some gaps, overlaps, and ambiguities are identified. The only significant inhibitory effects upon technological innovation are found to derive from the FPC and ICC limits upon profit, the 1941 Justice Department consent decree limiting dividends to shipper-owned pipelines, and the income tax rules governing recovery of investment credits and startup losses. Effects of these limits are explored by simulation studies using the Systems, Science and Software pipeline economic model (PEM). Two new concepts of regulation are proposed which would neutralize the inhibitory effect of the present regulatory system and would motivate pipeline operators to conserve energy: (1) use of a ''national equivalent value'' in the economic tradeoff analyses which justify entry of a technological innovation into the rate base (valuation), and (2) a ''valuation allowance'' which would reverse the presently often-existing situation and insure that the pipeline operator would realize a greater profit from saving energy than from wasting it.

  16. A Proposed Scalable Design and Simulation of Wireless Sensor Network-Based Long-Distance Water Pipeline Leakage Monitoring System

    Directory of Open Access Journals (Sweden)

    Abdulaziz S. Almazyad

    2014-02-01

    Full Text Available Anomalies such as leakage and bursts in water pipelines have severe consequences for the environment and the economy. To ensure the reliability of water pipelines, they must be monitored effectively. Wireless Sensor Networks (WSNs have emerged as an effective technology for monitoring critical infrastructure such as water, oil and gas pipelines. In this paper, we present a scalable design and simulation of a water pipeline leakage monitoring system using Radio Frequency IDentification (RFID and WSN technology. The proposed design targets long-distance aboveground water pipelines that have special considerations for maintenance, energy consumption and cost. The design is based on deploying a group of mobile wireless sensor nodes inside the pipeline and allowing them to work cooperatively according to a prescheduled order. Under this mechanism, only one node is active at a time, while the other nodes are sleeping. The node whose turn is next wakes up according to one of three wakeup techniques: location-based, time-based and interrupt-driven. In this paper, mathematical models are derived for each technique to estimate the corresponding energy consumption and memory size requirements. The proposed equations are analyzed and the results are validated using simulation.

  17. Secondary metabolite profiling of Alternaria dauci, A. porri, A. solani, and A. tomatophila.

    Science.gov (United States)

    Andersen, Birgitte; Dongo, Anita; Pryor, Barry M

    2008-02-01

    Chemotaxonomy (secondary metabolite profiling) has been shown to be of great value in the classification and differentiation in Ascomycota. However, few studies have investigated the use of metabolite production for classification and identification purposes of plant pathogenic Alternaria species. The purpose of the present study was to describe the methodology behind metabolite profiling in chemotaxonomy using A. dauci, A. porri, A. solani, and A. tomatophila strains as examples of the group. The results confirmed that A. dauci, A. solani, and A. tomatophila are three distinct species each with their own specific metabolite profiles, and that A. solani and A. tomatophila both produce altersolanol A, altertoxin I, and macrosporin. By using automated chemical image analysis and other multivariate statistic analyses, three sets of species-specific metabolites could be selected, one each for A. dauci, A. solani, and A. tomatophila.

  18. A systematic approach for mitigating geohazards in pipeline design and construction

    Energy Technology Data Exchange (ETDEWEB)

    Hengesh, J.V.; Angell, R.G.M.; Lettis, W.R.; Bachhuber, J.L. [William Lettis and Associates Inc., Walnut Creek, CA (United States)

    2004-07-01

    The mitigation of geohazards for both onshore and offshore pipeline projects was discussed with particular reference to a detailed investigative approach used for a section of the BTC pipeline system in Turkey. Pipelines cross a variety of geological environments exposed to ground motion such as earthquakes and landslides. These geohazards must be characterized for the route selection, design and construction stages of the project. Failure to identify and mitigate these hazards at an early stage of the project can result in schedule delays, liability, repair and business interruption costs. Phased investigative approaches can be used to refine route selection and develop parameters for detailed design. The first stage of such studies involves an evaluation of conditions such as extreme terrain, earthquake activity, volcanic activity, slope failure, flooding, and river crossings. This desktop phase provides information on general geological constraints. It involves data compilation and review; development of a project geographic information system (GIS); and identification of critical issues and engineering support. The second phase of investigation involves the acquisition of detailed corridor specific data such as topography and aerial photography; development of geological strip maps; and, assessment of the pipeline corridor by an expert-level Terrain Evaluation Team (TET) with extensive knowledge of geo-engineering issues. The third and final phase of investigation involves characterization of geohazards to determine permanent ground deformation (PGD) parameters such as location, geometry, amount and direction of displacement and recurrence rates. It was suggested that in order to maximize efficiency during all stages of a pipeline project, the pipeline design team should interact through all three phases. 10 refs., 6 figs.

  19. Pipeline four-dimension management is the trend of pipeline integrity management in the future

    Energy Technology Data Exchange (ETDEWEB)

    Shaohua, Dong; Feifan; Zhongchen, Han [China National Petroleum Corporation (CNPC), Beijing (China)

    2009-07-01

    Pipeline integrity management is essential for today's operators to operate their pipelines safety and cost effectively. The latest developments of pipeline integrity management around the world are involved with change of regulation, industry standard and innovation of technology. And who know the trend of PIM in the future, which can be answered in the paper. As a result, the concept of P4DM was set up firstly in the world. The paper analyzed the pipeline HSE management, pipeline integrity management (PIM) and asset integrity management (AIM), the problem of management was produced, and also the Pipeline 4-dimension Management (P4DM) theory was brought forward. According to P4DM, from the hierarchy of P4DM, the management elements, fields, space and time was analyzed. The main content is P4DM integrate the space geography location and time, control and manage the pipeline system in whole process, anywhere and anytime. It includes the pipeline integrity, pipeline operation and emergency, which is integrated by IT system. It come true that the idea, solution, technology, organization, manager alternately intelligently control the process of management. What the paper talks about included the definition of pipeline 4D management, the research develop of P4DM, the theory of P4DM, the relationship between P4DM and PIM, the technology basis of P4DM, how to perform the P4DM and conclusion. The P4DM was produced, which provide the development direction of PIM in the future, and also provide the new ideas for PetroChina in the field of technology and management. (author)

  20. Identification of 2,5-dimethyl-4-hydroxy-3[2H]-furanone beta-D-glucuronide as the major metabolite of a strawberry flavour constituent in humans.

    Science.gov (United States)

    Roscher, R; Koch, H; Herderich, M; Schreier, P; Schwab, W

    1997-08-01

    2,5-Dimethyl-4-hydroxy-3[2H]furanone (Furaneol, DMHF) [3658-77-3], an important flavour constituent of strawberry fruit, was administered to four male and two female volunteers using fresh strawberries as a natural DMHF source. The amount excreted was determined by measuring urinary levels of DMHF and DMHF glucuronide. DMHF glucuronide was synthesized and the structure elucidated by mens of 1H, 13C and two dimensional nuclear magnetic resonance, as well as mass spectral data. Identification and quantification of DMHF glucuronide in human urine were achieved after solid phase extraction on XAD-2 using reverse-phase reverse-phase HPLC with either on-line UV/VIS or electrospray tandem mass spectrometry detection. Male and female volunteers excreted 59-69% and 81-94%, respectively, of the DMHF dose (total of free and glycosidically bound DMHF in strawberries) as DMHF glucuronide in urine within 24 hr. The amount of DMHF excretion was independent of the dose size and the ratio of free to glycosidically bound forms of DMHF in strawberry fruit. DMHF, DMHF glucoside and its 6'-O-malonyl derivative, naturally occurring in strawberries, were not detected in human urine.