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  • Articles  (7)
  • Anthropogenic CO2  (2)
  • Chemistry  (2)
  • histamine  (2)
  • Air-sea CO2 exchange  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Molecular engineering 6 (1996), S. 307-317 
    ISSN: 1572-8951
    Keywords: H2 receptor ; H2 antagonist ; histamine ; molecular model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The interactions between the H2 antagonists cimetidine, ranitidine and famotidine with a basic molecular model for the histamine H2 receptor have been analyzed. The calculated potential energies of the antagonist-H2 receptor complexes follow an order consistent with the published binding data, indicating that famotidine is the best H2 receptor ligand. Comparison with the interactions found for histamine and this H2 receptor model suggests that the protonated imiddazole moiety of cimetidine, the dimethylammonio moiety of protonated ranitidine and the protonated guanidinyl moiety of famotidine are bioisosteric with the protonated aliphatic amine group of histamine. Asp 98 in helix 3 appears to be the main residue for antagonist recognition, but some residues in helix 5 may be involved, apparently by serving to guide the antagonist into the binding pocket.
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Molecular engineering 6 (1996), S. 297-306 
    ISSN: 1572-8951
    Keywords: H2 receptor ; histamine ; molecular model ; mutation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A 3D model of the canine H2 receptor was built and analysed. This model was constructed using primary sequence comparisons and three-dimensional homology building with bacteriorhodopsin serving as a template. The energy analysis of the interaction between the N3H+ form and the N1H+ form of histamine with the receptor shows that both have the same binding affinity for the H2 receptor, but only the N3H+ form provokes structural changes. The calculated potential energies are consistent with the published binding data and suggest that Asp 98 is the principal residue for ligand recognition. On the basis of sequence alignment studies we postulate that Glu 270 in helix 7 may be important for activation of the H2 receptor. Docking studies of the N3H+ folded conformation in our model show that an intramolecular hydrogen bond between N3 and the amino group of the histamine molecule is broken, and the histamine then adopts a conformation similar to the N3H+ extended form to interact optimally with the H2 receptor. Mutations were made in the H2 receptor model to mimic published experimental point mutations. The interactions of the mutated receptor models with histamine are consistent with the experimental data.
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Heteroatom Chemistry 6 (1995), S. 533-544 
    ISSN: 1042-7163
    Keywords: Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A recurrent method for synthesis of diphosphine dioxides to be used for extraction of actinides from acidic aqueous solution is described. Selective phosphonium salt formation and cleavage permits the stepwise introduction of different bridges between the phosphorus atoms as well as various chains on them. The influence of the structural parameters on liquid-liquid extraction properties of plutonium, neptunium, and americium is studied. Plutonium and neptunium can be efficiently removed from radioactive contaminated liquid wastes, using the supported liquid membranes technology with the more lipophilic organophosphorus extractants. © John Wiley & Sons, Inc.
    Additional Material: 9 Tab.
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1999 (1999), S. 1561-1569 
    ISSN: 1434-193X
    Keywords: Arbuzov reaction ; Phosphane oxide carbanion ; PCP linkage ; NMR spectroscopy ; Carbanions ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Polyphosphane polyoxides with (O)PCP(O) linkages are powerful chelating agents for extraction of actinides from nuclear wastes. They are obtained either by the Michaelis-Arbuzov reaction of chloromethylphosphane oxides and phosphorus(III) esters, or by the reaction of phosphane oxide carbanions with chlorophosphanes. With the latter method, the addition of a phosphane oxide carbanion in excess allowed us to overcome a transmetallation reaction and thereby obtain polyphosphane polyoxides in good yields. The 1H-NMR spectra of the PCH2P groups show the influence of the different R groups attached to the phosphorus atoms. We determined the coupling constants and the chemical shifts of these spin systems.
    Additional Material: 1 Ill.
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  • 5
    Publication Date: 2022-05-25
    Description: Author Posting. © American Geophysical Union, 2007. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 21 (2007): , doi:10.1029/2006GB002751.
    Description: We use an inverse method to estimate the global-scale pattern of the air-sea flux of natural CO2, i.e., the component of the CO2 flux due to the natural carbon cycle that already existed in preindustrial times, on the basis of ocean interior observations of dissolved inorganic carbon (DIC) and other tracers, from which we estimate ΔC gasex , i.e., the component of the observed DIC that is due to the gas exchange of natural CO2. We employ a suite of 10 different Ocean General Circulation Models (OGCMs) to quantify the error arising from uncertainties in the modeled transport required to link the interior ocean observations to the surface fluxes. The results from the contributing OGCMs are weighted using a model skill score based on a comparison of each model's simulated natural radiocarbon with observations. We find a pattern of air-sea flux of natural CO2 characterized by outgassing in the Southern Ocean between 44°S and 59°S, vigorous uptake at midlatitudes of both hemispheres, and strong outgassing in the tropics. In the Northern Hemisphere and the tropics, the inverse estimates generally agree closely with the natural CO2 flux results from forward simulations of coupled OGCM-biogeochemistry models undertaken as part of the second phase of the Ocean Carbon Model Intercomparison Project (OCMIP-2). The OCMIP-2 simulations find far less air-sea exchange than the inversion south of 20°S, but more recent forward OGCM studies are in better agreement with the inverse estimates in the Southern Hemisphere. The strong source and sink pattern south of 20°S was not apparent in an earlier inversion study, because the choice of region boundaries led to a partial cancellation of the sources and sinks. We show that the inversely estimated flux pattern is clearly traceable to gradients in the observed ΔC gasex , and that it is relatively insensitive to the choice of OGCM or potential biases in ΔC gasex . Our inverse estimates imply a southward interhemispheric transport of 0.31 ± 0.02 Pg C yr−1, most of which occurs in the Atlantic. This is considerably smaller than the 1 Pg C yr−1 of Northern Hemisphere uptake that has been inferred from atmospheric CO2 observations during the 1980s and 1990s, which supports the hypothesis of a Northern Hemisphere terrestrial sink.
    Description: This research was financially supported by the National Aeronautics and Space Administration under grant NAG5-12528. N. G. also acknowledges support by the National Science Foundation (OCE-0137274). Climate and Environmental Physics, Bern, acknowledges support by the European Union through the Integrated Project CarboOcean and the Swiss National Science Foundation.
    Keywords: Air-sea CO2 exchange ; Natural carbon cycle ; Ocean inversion
    Repository Name: Woods Hole Open Access Server
    Type: Article
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  • 6
    Publication Date: 2022-05-26
    Description: Author Posting. © American Geophysical Union, 2009. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 23 (2009): GB1005, doi:10.1029/2008GB003349.
    Description: We synthesize estimates of the contemporary net air-sea CO2 flux on the basis of an inversion of interior ocean carbon observations using a suite of 10 ocean general circulation models (Mikaloff Fletcher et al., 2006, 2007) and compare them to estimates based on a new climatology of the air-sea difference of the partial pressure of CO2 (pCO2) (Takahashi et al., 2008). These two independent flux estimates reveal a consistent description of the regional distribution of annual mean sources and sinks of atmospheric CO2 for the decade of the 1990s and the early 2000s with differences at the regional level of generally less than 0.1 Pg C a−1. This distribution is characterized by outgassing in the tropics, uptake in midlatitudes, and comparatively small fluxes in thehigh latitudes. Both estimates point toward a small (∼ −0.3 Pg C a−1) contemporary CO2 sink in the Southern Ocean (south of 44°S), a result of the near cancellation between a substantial outgassing of natural CO2 and a strong uptake of anthropogenic CO2. A notable exception in the generally good agreement between the two estimates exists within the Southern Ocean: the ocean inversion suggests a relatively uniform uptake, while the pCO2-based estimate suggests strong uptake in the region between 58°S and 44°S, and a source in the region south of 58°S. Globally and for a nominal period between 1995 and 2000, the contemporary net air-sea flux of CO2 is estimated to be −1.7 ± 0.4 Pg C a−1 (inversion) and −1.4 ± 0.7 Pg C a−1 (pCO2-climatology), respectively, consisting of an outgassing flux of river-derived carbon of ∼+0.5 Pg C a−1, and an uptake flux of anthropogenic carbon of −2.2 ± 0.3 Pg C a−1 (inversion) and −1.9 ± 0.7 Pg C a−1 (pCO2-climatology). The two flux estimates also imply a consistent description of the contemporary meridional transport of carbon with southward ocean transport throughout most of the Atlantic basin, and strong equatorward convergence in the Indo-Pacific basins. Both transport estimates suggest a small hemispheric asymmetry with a southward transport of between −0.2 and −0.3 Pg C a−1 across the equator. While the convergence of these two independent estimates is encouraging and suggests that it is now possible to provide relatively tight constraints for the net air-sea CO2 fluxes at the regional basis, both studies are limited by their lack of consideration of long-term changes in the ocean carbon cycle, such as the recent possible stalling in the expected growth of the Southern Ocean carbon sink.
    Description: Core financial support for this study came from the National Aeronautics and Space Administration under grant NAG5-12528 to NG and SMF, with additional support by the U.S. National Science Foundation. M. Gloor was supported by the EBI nd EEE institutes at the University of Leeds. M. Gerber, SM, FJ, and AM thank the European Commission for support through CarboOcean (511176-2) and the NOCES project (EVK2-CT-2001- 00134). TT has been supported by NOAA grant NAO30AR4320179P27.
    Keywords: Air-sea carbon flux ; Carbon flux ; Anthropogenic CO2
    Repository Name: Woods Hole Open Access Server
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  • 7
    Publication Date: 2022-05-26
    Description: Author Posting. © American Geophysical Union, 2006. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Global Biogeochemical Cycles 20 (2006): GB2002, doi:10.1029/2005GB002530.
    Description: Regional air-sea fluxes of anthropogenic CO2 are estimated using a Green's function inversion method that combines data-based estimates of anthropogenic CO2 in the ocean with information about ocean transport and mixing from a suite of Ocean General Circulation Models (OGCMs). In order to quantify the uncertainty associated with the estimated fluxes owing to modeled transport and errors in the data, we employ 10 OGCMs and three scenarios representing biases in the data-based anthropogenic CO2 estimates. On the basis of the prescribed anthropogenic CO2 storage, we find a global uptake of 2.2 ± 0.25 Pg C yr−1, scaled to 1995. This error estimate represents the standard deviation of the models weighted by a CFC-based model skill score, which reduces the error range and emphasizes those models that have been shown to reproduce observed tracer concentrations most accurately. The greatest anthropogenic CO2 uptake occurs in the Southern Ocean and in the tropics. The flux estimates imply vigorous northward transport in the Southern Hemisphere, northward cross-equatorial transport, and equatorward transport at high northern latitudes. Compared with forward simulations, we find substantially more uptake in the Southern Ocean, less uptake in the Pacific Ocean, and less global uptake. The large-scale spatial pattern of the estimated flux is generally insensitive to possible biases in the data and the models employed. However, the global uptake scales approximately linearly with changes in the global anthropogenic CO2 inventory. Considerable uncertainties remain in some regions, particularly the Southern Ocean.
    Description: This research was financially supported by the National Aeronautics and Space Administration under grant NAG5- 12528. N. G. also acknowledges support by the National Science Foundation (OCE-0137274). Climate and Environmental Physics, Bern acknowledges support by the European Union through the Integrated Project CarboOcean and the Swiss National Science Foundation.
    Keywords: Anthropogenic CO2 ; Carbon cycle ; Inverse modeling
    Repository Name: Woods Hole Open Access Server
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