Relevant bibliographies by topics / Compound identification

Academic literature on the topic 'Compound identification'

Author: Grafiati
Published: 4 June 2021
Last updated: 13 February 2022

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Journal articles on the topic "Compound identification"

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Opialla, Tobias, Stefan Kempa, and Matthias Pietzke. "Towards a More Reliable Identification of Isomeric Metabolites Using Pattern Guided Retention Validation." Metabolites 10, no. 11 (November 12, 2020): 457. http://dx.doi.org/10.3390/metabo10110457.

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Reliable analyte identification is critical in metabolomics experiments to ensure proper interpretation of data. Due to chemical similarity of metabolites (as isobars and isomers) identification by mass spectrometry or chromatography alone can be difficult. Here we show that isomeric compounds are quite common in the metabolic space as given in common metabolite databases. Further, we show that retention information can shift dramatically between different experiments decreasing the value of external or even in-house compound databases. As a consequence the retention information in compound databases should be updated regularly, to allow a reliable identification. To do so we present a feasible and budget conscious method to guarantee updates of retention information on a regular basis using well designed compound mixtures. For this we combine compounds in “Ident-Mixes”, showing a way to distinctly identify chemically similar compounds through combinatorics and principle of exclusion. We illustrate the feasibility of this approach by comparing Gas chromatography (GC)–columns with identical properties from three different vendors and by creating a compound database from measuring these mixtures by Liquid chromatography–mass spectrometry (LC–MS). The results show the high influence of used materials on retention behavior and the ability of our approach to generate high quality identifications in a short time.
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Li, Hong Zheng, He Zhou, and Yao Hong Jin. "A Method for Identifying V+N Compound Nouns in Patent Machine Translation." Applied Mechanics and Materials 513-517 (February 2014): 4617–20. http://dx.doi.org/10.4028/www.scientific.net/amm.513-517.4617.

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In this paper, we introduced one kind of special compound noun in Chinese patent texts composed of verb and noun, and presented a rule-based method for Chinese-English patent Machine Translation (MT) to improve the identification of compound nouns, with the purpose of decreasing the possibilities that verbs may disturb the identification of core predicate verb. The system first tagged different weights on verbs then determined the properties of verbs and recognized the compounds according to the weights. We then conducted experiments with the method, which proved that the method could identify compound nouns efficiently.
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Sudirman, Sabri, Nurjanah Nurjanah, and Agoes Mardiono Jacoeb. "Identification of Antioxidant Compounds Structure Large-Leafed Mangrove Fruit." Jurnal Pengolahan Hasil Perikanan Indonesia 19, no. 2 (August 30, 2016): 94. http://dx.doi.org/10.17844/jphpi.v19i2.13452.

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Antioxidants are compounds that can inhibit or prevent the oxidation of the easily oxidized substrate.<br />One of the plants as a potential source of bioactive compounds and antioxidant activity is large-leafed<br />mangrove (Bruguiera gymnorrhiza). This plant is commonly found in the Pacific region of Southeast Asia,<br />Ryukyu Islands, Micronesia and Polynesia (Samoa) to subtropical regions of Australia and has been used<br />by the society. This study aimed to determine the bioactive compounds structure of large-leafed mangrove<br />has the highest antioxidant activity. The compound structure prediction was done by Nuclear Magnetic<br />Resonance (NMR). The compound structure in the selected antioxidant fractions are flavonol, glikosilfalvon<br />and flavon. Those three compounds are flavonoid compound which has a great role as the one that has<br />antioxidant activity in large-leafed mangrove fruit.
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Yang, Wenzhi, Guangjie Liang, Yang Sun, and Zhijin Gong. "Bioactive Secondary Metabolites from Marine Streptomyces griseorubens f8: Isolation, Identification and Biological Activity Assay." Journal of Marine Science and Engineering 9, no. 9 (September 7, 2021): 978. http://dx.doi.org/10.3390/jmse9090978.

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Marine actinomycetes are a potential source of a wide variety of bioactive natural products. Herein, four cyclic dipeptides, namely, cyclo(L-Val-L-Pro) (compound 1), cyclo(L-Pro-L-Leu) (compound 2), cyclo(L-Pro-L-Tyr) (compound 3) and cyclo(L-Pro-L-Phe) (compound 5), and an N-acetyltyramine (compound 4) were first isolated and identified as products of the marine Streptomyces griseorubens f8. Compounds 3 and 5 exhibit antibacterial activity against Staphylococcus aureus, Klebsiella aerogenes and Proteus vulgaris. The minimum inhibitory concentrations (MICs) against Staphylococcus aureus, Klebsiella aerogenes and Proteus vulgaris are 160 µg/mL, 100 µg/mL, 120 µg/mL for the compound 3 and 180 µg/mL, 130 µg/mL 150 µg/mL for the compound 5, respectively. In addition, compounds 1, 2, 3 and 5 was first found to have the ability to inhibit the invasion and migration of A549 cells (lung cancer cells), which exhibited the potentiality for these compounds to be used as novel anticancer drugs. This study provides a novel production strain for compounds 1, 2, 3 and 5, and four potential promising anticancer agents.
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Veijanen, A., E. Kolehmainen, R. Kauppinen, M. Lahtiperä, and J. Paasivirta. "Methods for the Identification of Tainting Terpenoids and other Compounds from Algae." Water Science and Technology 25, no. 2 (January 1, 1992): 165–70. http://dx.doi.org/10.2166/wst.1992.0048.

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Off-flavour compounds produced by algae in freshwater ecosystems were studied for their structure using integrated sensory and spectroscopic methods: mass spectrometry (MS), nuclear magnetic resonance (NMR) and Fourier transform infrared (FTIR). Both solvent extraction and thermal desorption were used to isolate and to introduce the compounds into gas chromatography/mass spectrometry (GC/MS) and gas chromatography/Fourier transform infrared (GC/FTIR) systems. Ten ng of a terpenoid compound gave a readable IR spectrum. For 1H NMR studies the compounds were collected directly into NMR solvent by preparative gas chromatography. About 5 µg of a monoterpenoid compound was needed for a reliable 1H NMR spectrum. The mass spectral data indicated that the series of odorous substances detected by GC were terpenoid hydrocarbons and a later eluting series of compounds were sesquiterpene alcohols. In addition, one compound with an intense off-odour (aromatic, nitrogen containing compound) and some tainting carboxylic acids (derived from a starch factory) were detected.
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Bowes, Scott, Dongyu Sun, Azita Kaffashan, Chenhui Zeng, Claudio Chuaqui, Xiaoping Hronowski, Alex Buko, Xin Zhang, and Serene Josiah. "Quality Assessment and Analysis of Biogen Idec Compound Library." Journal of Biomolecular Screening 11, no. 7 (September 14, 2006): 828–35. http://dx.doi.org/10.1177/1087057106290993.

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A subset of the compound repository for lead identification at Biogen Idec was characterized for its chemical stability over a 3-year period. Compounds were stored at 4 °C as 10 mM DMSO stocks, and a small subset of compounds was stored as lyophilized dry films. Compound integrity of 470 discrete compounds (Compound Set I) and 1917 combinatorial chemistry-derived compounds (Compound Set II) was evaluated by liquid chromatography/mass spectrometry from the time of acquisition into the library collection and after 3 years of storage. Loss of compound integrity over the 3 years of storage was observed across the 2 subsets tested. Of Compound Set I, 63% of samples retained > 80% purity, whereas 57% of samples from Compound Set II had purity greater than 60%. The stability of the lyophilized samples was superior to the samples stored as DMSO solution. Although storage at 4 °C as DMSO solution was adequate for the majority of compounds, the authors observed and quantified the level of degradation within the compound collection. Their study provides general insight into compound storage and selection of library subsets for future lead identification activities.
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Yoneyama-Hirozane, Mariko, Kohei Deguchi, Takeshi Hirakawa, Tsuyoshi Ishii, Tomoyuki Odani, Junji Matsui, Yoshihide Nakano, et al. "Identification and Characterization of a New Series of Ghrelin O-Acyl Transferase Inhibitors." SLAS DISCOVERY: Advancing the Science of Drug Discovery 23, no. 2 (August 28, 2017): 154–63. http://dx.doi.org/10.1177/2472555217727097.

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Ghrelin O-acyl transferase (GOAT; MBOAT4) catalyzes O-acylation at serine-3 of des-acyl ghrelin. Acyl ghrelin is secreted by stomach X/A-like cells and plays a role in appetite and metabolism. Therefore, GOAT has been expected to be a novel antiobesity target because it is responsible for acyl ghrelin production. Here, we report homogeneous time-resolved fluorescence (HTRF) and enzyme-linked immunosorbent assay (ELISA) methods utilizing human GOAT-expressing microsomes as a novel high-throughput assay system for the discovery of hit compounds and optimization of lead compounds. Hit compounds exemplified by compound A (2-[(2,4-dichlorobenzyl)sulfanyl]-1,3-benzoxazole-5-carboxylic acid) were identified by high-throughput screening using the HTRF assay and confirmed to have GOAT inhibitory activity using the ELISA. Based on the hit compound information, the novel lead compound (compound B, (4-chloro-6-{[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methoxy}-1-benzothiophen-3-yl)acetic acid) was synthesized and exhibited potent GOAT inhibition with oral bioavailability. Both the hit compound and lead compound showed octanoyl-CoA competitive inhibitory activity. Moreover, these two compounds decreased acyl ghrelin production in the stomach of mice after their oral administration. These novel findings demonstrate that GOAT is a druggable target, and its inhibitors are promising antiobesity drugs.
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Chira, Kleopatra, Laura Anguellu, Gregory Da Costa, Tristan Richard, Eric Pedrot, Michael Jourdes, and Pierre-Louis Teissedre. "New C-Glycosidic Ellagitannins Formed upon Oak Wood Toasting, Identification and Sensory Evaluation." Foods 9, no. 10 (October 16, 2020): 1477. http://dx.doi.org/10.3390/foods9101477.

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In the courses of studies on ellagitannin changes during oak wood toasting, two C-glycosidic ellagitannins were isolated from the french oak wood for the first time. These two compounds exhibited [M−H]− ion peak at m/z 1055.0631 (compound A) and at m/z 1011.0756 (compound B). A compound is named Castacrenin E and is produced by Castacrenin D oxidation. Castacrenin D is a vescalagin with an additional aromating ring to the C-1 through a C-C bond. These compounds are not only found under laboratory conditions but also in commercial oak wood representing different toasting methods and sizes. Their levels are conditioned by oak wood dimensions and toasting degree. The wood pieces with the smallest size present almost two times more compounds A and B. Moreover, the compound B is the only compound to be present in medium toasting temperatures of the smallest wood pieces. Both of them can influence either astringency sensation or bitterness taste.
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Jadoun, Jeries, Ahmad Yazbak, Salwa Rushrush, Amira Rudy, and Hassan Azaizeh. "Identification of a New Antibacterial Sulfur Compound fromRaphanus sativusSeeds." Evidence-Based Complementary and Alternative Medicine 2016 (2016): 1–7. http://dx.doi.org/10.1155/2016/9271285.

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Raphanus sativusL. (radish), a member of Brassicaceae, is widely used in traditional medicine in various cultures for treatment of several diseases and disorders associated with microbial infections. The antibacterial activity of the different plant parts has been mainly attributed to several isothiocyanate (ITC) compounds. However, the low correlation between the ITC content and antibacterial activity suggests the involvement of other unknown compounds. The objective of this study was to investigate the antibacterial potential of red radish seeds and identify the active compounds. A crude ethanol seed extract was prepared and its antibacterial activity was tested against five medically important bacteria. The ethanol extract significantly inhibited the growth of all tested strains. However, the inhibitory effect was more pronounced againstStreptococcus pyogenesandEscherichia coli. Bioassay-guided fractionation of the ethanol extract followed by HPLC,1H-NMR,13C-NMR,15N-NMR, and HMBC analysis revealed that the active fraction consisted of a single new compound identified as [5-methylsulfinyl-1-(4-methylsulfinyl-but-3-enyl)-pent-4-enylidene]-sulfamic acid, which consisted of two identical sulfur side chains similar to those found in ITCs. The minimal inhibitory concentration values of the isolated compound were in the range of 0.5–1 mg/mL. These results further highlight the role of radish as a rich source of antibacterial compounds.
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Hakim, Aliefman, Jamaluddin Jamaluddin, I. Nyoman Loka, Saprizal Hadisaputra, and Ayu Rizki Mujiyanti. "Acid-Base Extraction of Anacardic Acid from Cashew Seed Shell." Jurnal Pijar Mipa 16, no. 3 (June 6, 2021): 418. http://dx.doi.org/10.29303/jpm.v16i3.2595.

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Research on the isolation of anacardic acid compounds from cashew nut shells has been carried out. This study aims to develop a method of isolating anacardic acid compounds from cashew nut shells in an easier way but still produces compounds that remain pure. In this study isolation and identification of anacardic acid compounds contained in CNSL was carried out. The results of anacardic acid isolation contained in CNSL in the form of a thick brown extract that has a characteristic dark odor. Anacardic acid was isolated using a maceration method using methanol as a solvent. The results of the isolation of anacardic acid compounds were then tested for purity using a thin layer chromatography test (TLC) using an eluent or a mobile phase of methanol: chloroform. Furthermore anacardic acid compounds were identified using IR spectroscopy and UV-vis spectroscopy. This identification was carried out to prove that the compound obtained was indeed an anacardic acid compound. From the identification results it was found that the compound isolated in this study was indeed an anacardic acid compound. This can be compared with the structure of existing anacardic acid compounds.
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Dissertations / Theses on the topic "Compound identification"

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Satchwill, Trevor. "Drinking water taste and odor, compound identification and treatment." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2001. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp05/MQ64977.pdf.

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Cadavid, Angelica Luz Marina. "Identification, cloning, and characterization of the Drosophila liquid facets gene /." Digital version:, 2000. http://wwwlib.umi.com/cr/utexas/fullcit?p9992759.

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Abida, Habib. "Mathematical modeling and parameter identification for unsteady flow in compound channels." Thesis, University of Ottawa (Canada), 1992. http://hdl.handle.net/10393/7753.

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This numerical study is divided into two main parts: In the first part a model for routing unsteady flows in compound channels, called RUFICC, is developed. The model accounts for flood plain contribution to system conveyance and also for lateral momentum transfer (LMT) between adjacent deep and shallow zones of compound flow fields. In the modeling approach composite channel sections are divided into representative deep and shallow zones. The resulting one-dimensional model equations, which are a modified form of the St. Venant equations, are solved using a four-point implicit finite difference scheme. Different procedures to account for LMT in the modeling process were considered. These included empirical models that were developed based on field and laboratory measurements under steady flow conditions. The effect of LMT was found to be insignificant in most of the applications considered. For a hypothetical channel with wide and rough flood plains LMT was found to be strongest at small flood plain depths and resulted in attenuation of the discharge hydrographs. In the simulation exercises included in this work RUFICC's performance was compared to those of two frequently-used conventional models, namely: the Off-Channel Storage Model (OCSM) and the Separate Channel Model (SCM). For the applications considered a better agreement was achieved between RUFICC's simulated hydrographs and the observed data. Applying the two conventional models resulted in a marked delay in the fall of the recession curve of the simulated hydrographs. The OCSM also underestimated stages and discharges by more than 25%, especially for fairly high flood plain flows. Flood routing exercises, which involve the solution of the St. Venant equations, require that the geometric and hydraulic properties of the river reach under study be known. This includes the cross-sectional area of flow as well as the channel boundary roughness coefficients for different flow depths. The second phase of this study concerned the testing of different optimization techniques to determine the most suitable optimization algorithm(s) in the estimation of flood routing data. The algorithms considered include Powell's and Rosenbrock's methods, and the Nelder and Meade Simplex algorithm. Regular channel data as well as compound channel data were used in these exercises. The solution of the unsteady flow equations requires only cross-sectional area (A) and conveyance (K) as functions of flow depth (y). Thus, instead of following the conceptual approach of optimizing upon a channel's geometric and hydraulic parameters, optimization was performed upon abstract parameters in assumed A(y) and K(y) relationships. These types of relationships in the so-called 'Black-Box' approach would obviously speed up the computations involved in solving the unsteady flow equations. Furthermore, the relative simplicity of such relationships resulted in decreased computer times and reduced amounts of required computer storage. Estimated data using the Rosenbrock and Simplex methods were then applied to route different flood events. Simulated peak stages and discharges were in good agreement with those estimated using actual routing data. (Abstract shortened by UMI.)
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Li, Qinghong. "Identification and characterization of genetic modifiers of the fat facets gene in Drosophila eye development /." Digital version accessible at:, 1998. http://wwwlib.umi.com/cr/utexas/main.

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Lawson, Tino. "Identification and Characterization of Gene Functions Involved in Recalcitrant Compound Degradation Using Metagenomic Data." Thesis, Södertörns högskola, Institutionen för naturvetenskap, miljö och teknik, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:sh:diva-18665.

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With the environmental problems caused by man-induced pollution by persistent toxic compounds, the importance of finding remediation solutions is immense. As an emerging field, microbial environmental biotechnology may provide the tools to achieve novel solutions. Microbial communities in the environment have biodegradation capacities which could be, and historically have been, exploited for bioremediation. The novelty lies in being able to access the capacity of the uncultured majority of the microbial community. Every day, more and more knowledge is gained in the field and thanks to new approaches such as metagenomics, along with the access to databases and archives where scientists share information and data, the quest becomes considerably facilitated. Microorganisms are highly diverse in metabolic pathways and some have become highly developed during evolution; detoxification and biotransformation of naturally occurring toxic compounds are therefore not novel concepts. The environmental problem occurs when synthetically manufactured compounds are less efficiently biodegraded. However, improved knowledge about the degradation potential in nature and the involved enzymes may help in developing bioremediation procedures. For this reason, an enzyme involved in catabolic pathways of chlorinated aromatic compounds, dienelactone hydrolase, which has been less well studied, was selected as a target. This study investigated the biogeographical distribution of the dienelactone hydrolase gene identified in metagenomes sampled from different environments globally in order to detect potential environmental patterns. Results may cast light on its significance for degradation of chlorinated aromatic compounds in nature. The results indicate a broad biogeographical distribution of dienelactone hydrolase in varying microbial habitats in the environment. The enzyme was found in environments ranging from water and soil habitats to hypersaline-, dechlorinating-, hot-spring- and other extremophillic habitats, in which the gene sequences shared high similarity within each group. A broad environmental distribution suggests that dienlactone hydrolase could be useful in bioremediation.
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Alberts, P. "Applicatins of liquid chromatography-tandem mass spectrometry to wine analysis : targeted analysis and compound identification." Thesis, Stellenbosch : Stellenbosch University, 2012. http://hdl.handle.net/10019.1/71693.

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Thesis (PhD)--Stellenbosch University, 2012.
ENGLISH ABSTRACT: The wine industry is an important sector of agriculture and wine analysis forms the basis of assessing compliance of its commodities with regulatory standards and research in this field. Liquid chromatography (LC) is extensively used for the determination of a wide range of nonvolatile wine components, but conventional detectors impose performance limitations on the technique that prevents its application to sophisticated analytical problems. In particular, conventional detectors for LC often lack the sensitivity and specificity for the determination of many wine compounds, especially trace level analytes, and furthermore, do not possess spectral capabilities for compound identification or structure elucidation. The hyphenation of mass spectrometry (MS) to LC has led to the introduction of a range of detectors that confers high levels of sensitivity and selectivity to the technique. In addition, a wide variety of MS architectures are available that are inherently suited for targeted analysis or structure elucidation studies. In this dissertation, the potential benefits of liquid chromatography – tandem quadrupole mass spectrometry (LC-MS/MS) to solve analytical problems relevant to the wine industry are explored. LC-MS/MS is a particularly versatile analytical technique because both mass analysers can be operated in full-spectrum mode or selected-ion monitoring, which, together with optional fragmentation, gives rise to four modes of operation that may be used for highly specific and sensitive targeted analysis or spectral investigations. In multiple reaction monitoring (MRM) mode, both analysers are set at single ion frequencies specific for the compound under investigation and one or more of its product fragments, respectively. MRM mode is ideally suited for trace level analysis in complex mixtures, even in cases where the target components are not resolved from interferences. In this study, MRM detection was used to solve challenges relevant to the wine industry for the selective quantitation of target analytes that could not be analysed by conventional LC methods. The application of this approach for the analysis of natamycin, ethyl carbamate (EC) and 3-alkyl-2- methoxypyrazines (MPs) in wine is demonstrated. Natamycin is an antimicrobial preservative that is not permitted in wine in the European Union. A rapid and sensitive method for the determination of natamycin was developed, and has been used since 2009 to regulate this vitally important sector of the South African wine export industry. EC is a natural carcinogen that occurs at trace level amounts in alcoholic products. It also has the potential to accumulate in wines and can occur in very high concentrations in some fruit brandies. The determination of EC is complicated by its physicochemical properties, and available analytical methods suffer from drawbacks such as the requirement for elaborate extraction procedures and high solvent consumption. A novel method for the determination of EC in wines, fortified wines and spirits is described and it was applied to perform an audit of the South African industry as well as to investigate factors responsible for its accumulation in alcoholic beverages. This work forms an integral part of the food safety mandate of the State and it ensures that export products comply with international norms for trade. MPs are ultra-trace-level aroma compounds that contribute to the varietal character of Sauvignon blanc wines. Their analytical determination is challenging due to their low levels of occurrence. The loading capacity of LC combined with the sensitivity and resolving power of MS was exploited to analyse concentrated extracts, in order to achieve very low limits of detection. The performance of the LC-MS/MS method enabled the quantitation of these compounds at their natural levels of occurrence, including the first quantitation and spectral confirmation of 3- ethyl-2-methoxypyrazine in wine. Extensive data pertaining to South African Sauvignon blanc wines are reported and statistical analysis is performed, reporting the correlation of variables such as vintage and origin as well as wine parameters such as malic acid with wine MPs. Furthermore, the application of LC-MS/MS for structural elucidation and screening of target classes of analytes was demonstrated for the analysis of red wine anthocyanins. The anthocyanidin-glycosides are responsible for the colour of red grapes and wine, contribute to the sensory properties of wine, and are also of interest due to their beneficial biological properties. Their determination is complicated by their large numbers and structural diversity, further exacerbated by diverse reactions during wine ageing as well as the lack of reference standards for most members of this class of compounds. Tandem MS in scan mode was used for the highly selective detection of glycosylated anthocyanins and derivatives, exploiting the predictable elimination of the sugar moiety in neutral loss mode. Concurrent survey scan experiments were used to unambiguously identify neutral loss detected compounds. The method therefore follows a simplified and structured approach for unambiguous peak identification based on elution order and mass spectral information to impart a high level of certainty in compound identification. In summary, the work presented in this dissertation demonstrates that LC-MS/MS is a versatile and powerful analytical approach for the analysis of diverse compounds of relevance to the wine industry. The sensitivity and specificity of MRM mode, and the selectivity and spectral capabilities of neutral loss and survey scan modes of MS/MS detection, is amply demonstrated by the applications presented in the dissertation.
AFRIKAANSE OPSOMMING: Die wynbedryf is ‘n belangrike komponent van landbou en wyn-analise vorm ‘n integrale deel van gehalteversekering ten opsigte van toepaslike wetlike standaarde. Wyn-analise is ook belangrik in navorsing oor die samestelling van wyn. Vloeistofchromatografie word dikwels aangewend vir die bepaling van ‘n wye verskeidenheid nie-vlugtige wynkomponente, maar konvensionele detektors plaas beperkinge op die aanwending van die tegniek tot gesofistikeerde analitiese toepassings. Meer spesifiek, konvensionele detektors vir vloeistofchromatografie beskik nie oor die sensitiwiteit en selektiwiteit vir die bepaling van baie wynkomponente nie, veral in die geval van spoorvlakanalise, en beskik boonop ook nie oor spektrale vermoëns vir identifikasie van komponente en struktuurbepaling nie. Die koppeling van vloeistofchromatografie met massaspektrometrie het ‘n reeks detektors tot die tegniek toegevoeg wat hoë vlakke van sensitiwiteit en selektiwiteit bied. Verder bied die verskeidenheid van massaspektrometrie-konfigurasies ook instrumente wat inherent geskik is vir geteikende analise of struktuurbepaling, afhangende van die doel van die ondersoek. In hierdie dissertasie word die voordele ondersoek wat verbonde is aan die aanwending van vloeistofchromatografie – tandem kwadrupool massaspektrometrie om relevante analitiese vraagstukke in die wynbedryf op te los. Hiedie tegniek is besonder toepaslik aangesien beide massa-analiseerders in geselekteerde-ioon modus of in volle skandering gebruik kan word. Tesame met opsionele fragmentasie, gee hierdie uitleg aanleiding tot vier funksionaliteite wat vir hoogs sensitiewe geteikende analise of spektrale onledings gebruik kan word. Eerstens word beide massa analiseerders vir enkel-ioon frekwensies opgestel, spesifiek tot die teikenkomponent en een of meer van sy produkfragmente, wat verkry word deur komponentspesifieke fragmentasie. Hierdie modus is by uitstek geskik vir spoorvlakontleding van komplekse monsters, selfs wanneer die teikenkomponente nie chromatografies van die matriks geskei is nie. In hierdie studie is die tegniek aangewend vir die hoogs sensitiewe bepaling van spoorvlak komponente wat nie met konvensionele detektors gemeet kon word nie. Die aanwending van hierdie tegniek word gedemonstreer vir die spoorvlakbepaling van natamycin, etielkarbamaat en 3-alkiel-2-metoksiepierasiene in wyn. Natamycin is ‘n antimikrobiese preserveermiddel wat ontoelaatbaar is in wyn in die Europese Unie. ‘n Vinnige en sensitiewe metode vir die bepaling van natamycin is ontwikkel, en word reeds sedert 2009 aangewend om hierdie uiters belangrike sektor van die Suid-Afrikaanse wyn uitvoerbedryf te reguleer. Etielkarbamaat is ‘n karsinogeen wat natuurlik voorkom in spoorhoeveelhede in alkoholiese produkte. Dit kan ook onder sekere omstandighede akkumuleer in wyn en in hoë konsentrasies voorkom in vrugtebrandewyne. Die bepaling van etielkarbamaat word bemoeilik deur sy chemiese eienskappe, en gevolglik word analitiese metodes gekenmerk deur uitgebreide, arbeidsintensiewe monstervoorbereiding en die gebruik van groot hoeveelhede, meestal giftige, oplosmiddels. ‘n Nuwe metode vir die bepaling van etielkarbamaat in wyn, gefortifiseerde wyn en spiritualië word beskryf en word aangewend om die faktore vir vorming daarvan te ondersoek. Die metode word aangewend om die Suid-Afrikaanse bedryf te ouditeer in terme van die voedselveiligheid mandaat van die Staat, en om te verseker dat uitvoere voldoen aan standaarde vir internasionale handel. Metoksiepierasiene is vlugtige, ultraspoorvlak wynaromakomponente wat verantwoordelik is vir die kenmerkede kultivarkarakter van Sauvignon blanc wyne. Hul analitiese bepaling word bemoeilik deur hulle lae konsentrasies in wyn. Die ladingskapasiteit van vloeistofchromatografie tesame met die sensitiwiteit en selektiwiteit van massaspektrometrie was benut om hoogs gekonsentreerde ekstrakte te ontleed. Baie hoë vlakke van sensitiwiteit word sodoende verkry. Die verrigting van die metode was voldoende om hierdie komponente teen hulle natuurlike konsentrasies te kwantifiseer, insluitende die eerste kwantifisering en spektrale bevestiging van 3-etiel-2-metoksiepierasien. Omvattende data van die vlakke van hierdie komponente in Suid- Afrikaanse Sauvignon blanc wyne word getoon en statistiese ontleding is gedoen om korrelasies tussen veranderlikes soos oorsprong en oesjaar sowel as basiese wyn veranderlikes soos byvoorbeeld appelsuur, met metoksiepierasienvlakke te ondersoek. Verder was die toepassing van vloeistofchromatografie – tandem massaspektrometrie tot struktuurbepaling en skandering vir groepe van komponente gedemonstreer vir die ontleding van rooiwyn antosianiene. Die antosianien-glukosiede is verantwoordelik vir die kleur van rooi druiwe en wyn, dra by tot die sensoriese eienskappe daarvan, en is ook relevant as gevolg van die voordelige biologiese eienskappe daarvan. Die bepaling van hierdie komponente word gekompliseer deur hulle groot getalle en strukturele diversiteit, verder bemoeilik deur die wye verskeidenheid van reaksies wat hulle ondergaan tydens veroudering. Daar is ook ‘n gebrek aan beskikbaarheid van standaarde vir die meeste van die lede van hierdie klas van komponente. Tandem massaspektrometrie was in skanderingsmodus gebruik vir hoogs selektiewe deteksie van die antosianien-glukosiede deur die voorspelbare eliminasie van die suiker komponent in neutrale verliesskandering te benut. Gelyktydige skanderings van die komponente wat met neutraleverliesskandering waargeneem word, is gebruik vir ondubbelsinnige komponent identifikasie. Die metode volg daarom ‘n eenvoudige en gestruktureerde benadering vir piek identifikasie wat gebaseer is op chromatografiese orde, sowel as massaspektrale inligting, om ‘n hoë vlak van sekerheid aan die identifikasie van komponente te verleen. Samevattend, word daar getoon deur die werk wat in hierdie dissertasie uiteengesit is dat vloeistofchromatografie – tandem massaspektrometrie ‘n veelsydige en kragtige tegniek bied vir chemiese analise relevant tot die wynbedryf. Die sensitiwiteit, selektiwiteit en spektrale vermoëns van die tegniek word duidelik deur toepassings in die dissertasie getoon.
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Peng, Chiung-Yu. "Identification and quantification of volatile organic compound emissions from buildings and heating, ventilating and air conditioning systems." Ann Arbor, Mich. : University of Michigan, 1998. http://books.google.com/books?id=yxIvAAAAMAAJ.

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Ward, Amber L. "Identification of Genes Required to Synthesize an Antibiotic-like Compound from the Soil Bacterium Rhodococcus sp. MTM3W5.2." Digital Commons @ East Tennessee State University, 2015. https://dc.etsu.edu/etd/2558.

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Rhodococcus is a soil bacterium, member of the Actinobacteria, and a close relative of the prolific small molecule producer Streptomyces. Recent interest in Rhodococcus as an under investigated source of possible bioactive secondary metabolites is sparked by the discovery of many polyketide synthase and non-ribosomal peptide synthetase genes of unknown function from sequenced Rhodococcus genomes. Rhodococcus species strain MTM3W5.2 was recently shown to produce a strong inhibitory compound with activity against most strains of Rhodococcus and closely related genera. A goal of this investigation is to discover the gene(s) required to synthesize this inhibitory molecule. The engineered Rhodococcus transposon, pTNR, was used to generate random insertional mutations in the genome of MTM3W5.2. The transposon insertion sites for 8 non-producing mutants were cloned and sequenced. Genes that encode polyketide synthases usually form parts of large biosynthetic gene clusters responsible for the production of small polyketide molecules.
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Asian, Jelita, and jelitayang@gmail com. "Effective Techniques for Indonesian Text Retrieval." RMIT University. Computer Science and Information Technology, 2007. http://adt.lib.rmit.edu.au/adt/public/adt-VIT20080110.084651.

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The Web is a vast repository of data, and information on almost any subject can be found with the aid of search engines. Although the Web is international, the majority of research on finding of information has a focus on languages such as English and Chinese. In this thesis, we investigate information retrieval techniques for Indonesian. Although Indonesia is the fourth most populous country in the world, little attention has been given to search of Indonesian documents. Stemming is the process of reducing morphological variants of a word to a common stem form. Previous research has shown that stemming is language-dependent. Although several stemming algorithms have been proposed for Indonesian, there is no consensus on which gives better performance. We empirically explore these algorithms, showing that even the best algorithm still has scope for improvement. We propose novel extensions to this algorithm and develop a new Indonesian stemmer, and show that these can improve stemming correctness by up to three percentage points; our approach makes less than one error in thirty-eight words. We propose a range of techniques to enhance the performance of Indonesian information retrieval. These techniques include: stopping; sub-word tokenisation; and identification of proper nouns; and modifications to existing similarity functions. Our experiments show that many of these techniques can increase retrieval performance, with the highest increase achieved when we use grams of size five to tokenise words. We also present an effective method for identifying the language of a document; this allows various information retrieval techniques to be applied selectively depending on the language of target documents. We also address the problem of automatic creation of parallel corpora --- collections of documents that are the direct translations of each other --- which are essential for cross-lingual information retrieval tasks. Well-curated parallel corpora are rare, and for many languages, such as Indonesian, do not exist at all. We describe algorithms that we have developed to automatically identify parallel documents for Indonesian and English. Unlike most current approaches, which consider only the context and structure of the documents, our approach is based on the document content itself. Our algorithms do not make any prior assumptions about the documents, and are based on the Needleman-Wunsch algorithm for global alignment of protein sequences. Our approach works well in identifying Indonesian-English parallel documents, especially when no translation is performed. It can increase the separation value, a measure to discriminate good matches of parallel documents from bad matches, by approximately ten percentage points. We also investigate the applicability of our identification algorithms for other languages that use the Latin alphabet. Our experiments show that, with minor modifications, our alignment methods are effective for English-French, English-German, and French-German corpora, especially when the documents are not translated. Our technique can increase the separation value for the European corpus by up to twenty-eight percentage points. Together, these results provide a substantial advance in understanding techniques that can be applied for effective Indonesian text retrieval.
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Ball, Lathan. "Development of class-specific and compound specific antibodies for the detection, identification and exposure monitoring of genotoxic carcinogens." Thesis, University of Edinburgh, 1997. http://hdl.handle.net/1842/10715.

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Mercapturic acids are urinary metabolites which signal exposure to genotoxic compounds. Carefully designed hapten-protein conjugates and a judicious screening strategy has enabled the generation of compound and class-specific antibodies which bind mercapturic acids. S-phenylmercapuric acid (S-PMA) is a highly specific and sensitive marker of benzene exposure. A monoclonal antibody reactive with S-PMA has been generated. The immobilised antibody retains immunoreactivity and can be used to enrich S-PMA from the urine of benzene exposed workers. The performance of the immunoaffinity column has been validated by comparison with data obtained from GC/MS analysis of urine from benzene exposed workers (range 12-168ug/1. corr. coeff. 0.98, n=23). Furthermore immunoaffinity chromatography facilitates the quantitative determination of urinary S-PMA by HPLC. Bioconcentration of S-PMA from the urine of benzene exposed workers has permitted the quantification of S-PMA by HPLC at 8 hour Time Weighted Average exposures of around 1ppm. Monoclonal antibodies to low molecular weight mercapturic acids (eg. S-(2-hydroxyethyl)mercapturic acid) were generally of too low affinity for practical application. As an alternative approach antibodies to adducted protein were investigated. Antibody 4D3 binds the adducted N-terminal heptapeptide released from the alpha-chain of haemoglobin by trypsin hydrolysis. Initial studies suggest antibody 4D3 can bind the adducted heptapeptide in whole haemoglobin. This may facilitate the determination of adducted haemoglobin in biomonitoring studies.
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Books on the topic "Compound identification"

1

Vermerris, Wilfred. Phenolic compound biochemistry. Dordrecht: Springer, 2008.

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Clayton, Bassler G., and Morrill Terence C. 1940-, eds. Spectrometric identification of organic compounds. 5th ed. New York: Wiley, 1991.

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Silverstein, Robert M. Spectrometric identification of organic compounds. 6th ed. New York: Wiley, 1998.

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Silverstein, Robert M. Spectrometric identification of organic compounds. 5th ed. New York: Wiley, 1991.

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X, Webster Francis, and Kiemle David J, eds. Spectrometric identification of organic compounds. 7th ed. Hoboken, NJ: John Wiley & Sons, 2005.

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The systematic identification of organic compounds. 8th ed. Danvers, MA: Wiley, 2004.

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Feinstein, Karen. Guide to spectroscopic identification of organic compounds. Boca Raton: CRC Press, 1995.

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Hermann, Christine K. F. Solutions manual - The systematic identification of organic compounds. 8th ed. Hoboken, N.J: Wiley, 2004.

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Pacáková, V. Chromatographic retention indices: An aid to identification of organic compounds. New York: E. Horwood, 1992.

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Subarnas, Anas. Identification of novel anticancer compounds from primates-consumed plant: Final report. Jakarta]: Kementerian Pendidikan Nasional, 2010.

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Book chapters on the topic "Compound identification"

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Sosnowski, Łukasz, and Dominik Ślęzak. "Comparators for Compound Object Identification." In Lecture Notes in Computer Science, 342–49. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-21881-1_53.

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Rasooli, Mohammad Sadegh, Heshaam Faili, and Behrouz Minaei-Bidgoli. "Unsupervised Identification of Persian Compound Verbs." In Advances in Artificial Intelligence, 394–406. Berlin, Heidelberg: Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-25324-9_34.

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Nguyen, Khoa, Dat Tran, Wanli Ma, and Dharmendra Sharma. "A Proposed Approach to Compound File Fragment Identification." In Network and System Security, 493–500. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-11698-3_38.

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Berns, Anton, John Allen, Harald Mikkers, Blanca Scheijen, and Jos Jonkers. "Identification and Characterization of Collaborating Oncogenes in Compound Mutant Mice." In The Biology of Tumors, 15–30. Boston, MA: Springer US, 1998. http://dx.doi.org/10.1007/978-1-4899-1352-4_2.

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Lajiness, Michael S., and Veerabahu Shanmugasundaram. "Strategies for the Identification and Generation of Informative Compound Sets." In Methods in Molecular Biology, 111–29. Totowa, NJ: Humana Press, 2004. http://dx.doi.org/10.1385/1-59259-802-1:111.

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He, Zan, and Caijun Li. "Identification on Semantic Orientation of Adjectives in Nominal Compound Phrases AN1N2." In Lecture Notes in Computer Science, 242–50. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-36337-5_25.

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Cao, Li-Li, Zhi-Shui Zhang, Peng Chen, and Jun Zhang. "Compound Identification Using Random Projection for Gas Chromatography-Mass Spectrometry Data." In Lecture Notes in Computer Science, 686–92. Cham: Springer International Publishing, 2015. http://dx.doi.org/10.1007/978-3-319-22053-6_71.

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Zhang, Jiaping, Xu Li, Qianwei He, Zihao Huang, Ye Yang, and Lei Liu. "A Compound Attitude Control System for a High Coupling Reentry Vehicle." In Proceedings of the 11th International Conference on Modelling, Identification and Control (ICMIC2019), 1139–50. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-15-0474-7_107.

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Sun, Zhan-Li, Kin-Man Lam, and Jun Zhang. "A Mass Spectra-Based Compound-Identification Approach with a Reduced Reference Library." In Intelligent Computing Theories and Technology, 672–76. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-39482-9_77.

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Liao, Li-Huan, Yi-Fei Zhu, Li-Li Cao, and Jun Zhang. "Combine Multiple Mass Spectral Similarity Measures for Compound Identification in GC-MS." In Intelligent Computing in Bioinformatics, 255–61. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-09330-7_31.

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Conference papers on the topic "Compound identification"

1

Liu, Junxiu, Bin Du, Zhengchao Shen, and Haijiang Zhu. "Organic Compound Identification Based on Terahertz Spectrum." In 2018 IEEE 7th Data Driven Control and Learning Systems Conference (DDCLS). IEEE, 2018. http://dx.doi.org/10.1109/ddcls.2018.8515926.

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Bhagat, Amol P., and Kiran A. Dongre. "Nearest cluster-based compound network protocol identification." In 2015 International Conference on Green Computing and Internet of Things (ICGCIoT). IEEE, 2015. http://dx.doi.org/10.1109/icgciot.2015.7380581.

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Hong, Tang, Du Yi, Ding Jiaman, and Liu Liqiang. "Compound fault diagnosis based on probability box theory." In 2017 9th International Conference on Modelling, Identification and Control (ICMIC). IEEE, 2017. http://dx.doi.org/10.1109/icmic.2017.8321664.

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Guotao Hui, Yisheng Liu, and Yingchun Wang. "Design for networked control systems with compound Markovian transition probabilities." In 2011 International Conference on Modelling, Identification and Control. IEEE, 2011. http://dx.doi.org/10.1109/icmic.2011.5973769.

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Koo, Imhoi, Xiang Zhang, and Seongho Kim. "Comparison of Spectral Similarity Measures for Compound Identification." In 2011 5th International Conference on Bioinformatics and Biomedical Engineering (iCBBE). IEEE, 2011. http://dx.doi.org/10.1109/icbbe.2011.5780011.

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Dalkilic, Feristah, and Zerrin Isik. "Graph-Based Data Mining for Compound Target Identification." In 2018 3rd International Conference on Computer Science and Engineering (UBMK). IEEE, 2018. http://dx.doi.org/10.1109/ubmk.2018.8566322.

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Cao, Lili, Zhishui Zhang, and Jun Zhang. "Dynamic multiple spectral similarity measures for compound identification." In 2013 6th International Congress on Image and Signal Processing (CISP). IEEE, 2013. http://dx.doi.org/10.1109/cisp.2013.6743866.

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Ford, Michael, Richard Jones, Ravi Amunugama, Danette Daniels, Rachel Ohana, Sergiy Levin, Thomas Kirkland, Marjeta Urh, and Keith Wood. "Abstract C158: A chemoproteomics strategy for target identification and lead compound optimization using chloroalkane derivatized compounds." In Abstracts: AACR-NCI-EORTC International Conference: Molecular Targets and Cancer Therapeutics; November 5-9, 2015; Boston, MA. American Association for Cancer Research, 2015. http://dx.doi.org/10.1158/1535-7163.targ-15-c158.

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Huebschman, Benjamin D., Frank Crowne, Ali M. Darwish, Edward A. Viveiros, Khamsouk Kingkeo, and Neil Goldsman. "Identification of Pre-Catastrophic Failure Mechanisms in High Power GaN HEMT." In 2011 IEEE Compound Semiconductor Integrated Circuit Symposium (CSICS). IEEE, 2011. http://dx.doi.org/10.1109/csics.2011.6062457.

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Cerutti, Guillaume, Laure Tougne, Julien Mille, Antoine Vacavant, and Didier Coquin. "A model-based approach for compound leaves understanding and identification." In 2013 20th IEEE International Conference on Image Processing (ICIP). IEEE, 2013. http://dx.doi.org/10.1109/icip.2013.6738302.

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Reports on the topic "Compound identification"

1

Alam, Todd Michael, and Rick Lansdon. Development and Investigation of NMR tools for chiral compound identification. Office of Scientific and Technical Information (OSTI), September 2014. http://dx.doi.org/10.2172/1171573.

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Roberge, Michel. Identification and Characterization of Novel Antimitotic Compounds for the Treatment of Breast Cancer. Fort Belvoir, VA: Defense Technical Information Center, August 2001. http://dx.doi.org/10.21236/ada396662.

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Roberge, Michel. Identification and Characterization of Novel Antimitotic Compounds for the Treatment of Breast Cancer. Fort Belvoir, VA: Defense Technical Information Center, August 2000. http://dx.doi.org/10.21236/ada383238.

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Roberge, Michel. Identification and Characterization of Novel Antimitotic Compounds for the Treatment of Breast Cancer. Fort Belvoir, VA: Defense Technical Information Center, August 2002. http://dx.doi.org/10.21236/ada409399.

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Sinha, D. N., K. Springer, W. Han, D. Lizon, and S. Kogan. Applications of swept-frequency acoustic interferometer for nonintrusive detection and identification of chemical warfare compounds. Office of Scientific and Technical Information (OSTI), December 1997. http://dx.doi.org/10.2172/555542.

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Henderson, Terry J. Nuclear Magnetic Resonance Identification of Military Nerve Agents and Related Compounds by Two-Dimensional 31P-1H Heteronuclear Overhauser Effect Spectroscopy. Fort Belvoir, VA: Defense Technical Information Center, June 2010. http://dx.doi.org/10.21236/ada524492.

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Lenz, Mark. RV POSEIDON Fahrtbericht / Cruise Report POS536/Leg 1. GEOMAR, October 2020. http://dx.doi.org/10.3289/geomar_rep_ns_56_2020.

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DIPLANOAGAP: Distribution of Plastics in the North Atlantic Garbage Patch Ponta Delgada (Portugal) – Malaga (Spain) 17.08. – 12.09.2019 The expedition POS 536 is part of a multi-disciplinary research initiative of GEOMAR investigating the origin, transport and fate of plastic debris from estuaries to the oceanic garbage patches. The main focus will be on the vertical transfer of plastic debris from the surface and near-surface waters to the deep sea and on the processes that mediate this transport. The obtained data will help to develop quantitative models that provide information about the level of plastic pollution in the different compartments of the open ocean (surface, water column, seafloor). Furthermore, the effects of plastic debris on marine organisms in the open ocean will be assessed. The cruise will provide data about the: (1) abundance of plastic debris with a minimum size of 100 μm as well as the composition of polymer types in the water column at different depths from the sea surface to the seafloor including the sediment, (2) abundance and composition of plastic debris in organic aggregates (“marine snow”), (3) in pelagic and benthic organisms (invertebrates and fish) and in fecal pellets, (4) abundance and the identity of biofoulers (bacteria, protozoans and metazoans) on the surface of plastic debris from different water depths, (5) identification of chemical compounds (“additives”) in the plastic debris and in water samples.
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Beck, Aaron. RiverOceanPlastic: Land-ocean transfer of plastic debris in the North Atlantic, Cruise No. AL534/2, 05 March – 26 March 2020, Malaga (Spain) – Kiel (Germany). GEOMAR Helmholtz Centre for Ocean Research Kiel, 2020. http://dx.doi.org/10.3289/cr_al534-2.

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Cruise AL534/2 is part of a multi-disciplinary research initiative as part of the JPI Oceans project HOTMIC and sought to investigate the origin, transport and fate of plastic debris from estuaries to the oceanic garbage patches. The main focus of the cruise was on the horizontal transfer of plastic debris from major European rivers into shelf regions and on the processes that mediate this transport. Stations were originally chosen to target the outflows of major European rivers along the western Europe coast between Malaga (Spain) and Kiel (Germany), although some modifications were made in response to inclement weather. In total, 16 stations were sampled along the cruise track. The sampling scheme was similar for most stations, and included: 1) a CTD cast to collect water column salinity and temperature profiles, and discrete samples between surface and seafloor, 2) sediment sampling with Van Veen grab and mini-multi corer (mini-MUC), 3) suspended particle and plankton sampling using a towed Bongo net and vertical WP3 net, and 4) surface neusten sampling using a catamaran trawl. At a subset of stations with deep water, suspended particles were collected using in situ pumps deployed on a cable. During transit between stations, surface water samples were collected from the ship’s underway seawater supply, and during calm weather, floating litter was counted by visual survey teams. The samples and data collected on cruise AL534/2 will be used to determine the: (1) abundance of plastic debris in surface waters, as well as the composition of polymer types, originating in major European estuaries and transported through coastal waters, (2) abundance and composition of microplastics (MP) in the water column at different depths from the sea surface to the seafloor including the sediment, (3) abundance and composition of plastic debris in pelagic and benthic organisms (invertebrates), (4) abundance and identity of biofoulers (bacteria, protozoans and metazoans) on the surface of plastic debris from different water depths, (5) identification of chemical compounds (“additives”) in the plastic debris and in water samples.
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