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  • 1
    Electronic Resource
    Electronic Resource
    Complex of N,N′,N′,N‴-tetrakis[2-diphenylphosphorylethyl]-1,4,7,10-tetraazacyclododecane with copper (II) perchlorate. Synthesis, structure, and conformational analysis (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Heteroatom Chemistry 7 (1996), S. 229-232 
    Details
    ISSN: 1042-7163
    Keywords: Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 1,4,7,10-Tetraazacyclododecane having β-ethylphosphoryl pendant groups on the nitrogen atoms can form a complementary ligand for the Cu cation. It gives rise to a square pyramidal complex of [CuL]2+ compositions, the ligand entering this complex with a slight energy strain. © 1996 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 2
    Electronic Resource
    Electronic Resource
    Improved technique for calculating X-ray scattering intensity of biopolymers in solution: Evaluation of the form, volume, and surface of a particle (1983)
    New York : Wiley-Blackwell
    Biopolymers 22 (1983), S. 1507-1522 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An improved cube method has been developed for calculating the intensity of diffuse x-ray scattering of macromolecules in solution using a certain set of their atomic coordinates. The technique is based on the ideas of B. Lee and F. M. Richards [(1971) J. Mol. Biol. 55, 374-400] and Richards [(1977) Annu. Rev. Biophys. Bioeng. 6, 151-176] on the possibility of estimating the molecular and accessible surface of a particle by “rolling” a sphere, simulating a water molecule, on its molecular surface. It is shown that this technique is more advantageous than earlier versions of the cube methods. The improved technique for calculating scattering curves was utilized for several globular proteins, and for the first time, reliable scattering curves were obtained for protein-“bound” water complexes. In the case of globular proteins and tRNA, this technique has permitted a strict evaluation of their accessible surfaces, their volumes, and, apparently for the first time, their complete molecular surfaces.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360220607
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  • 3
    Electronic Resource
    Electronic Resource
    Synthesis and Structure of the First Fullerene Complex of Titanium Cp2Ti(η2-C60) (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 1855-1857 
    Details
    ISSN: 1434-1948
    Keywords: Fullerenes ; Titanium ; Complexes ; X-ray analysis ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The first fullerene complex of titanium Cp2Ti(η2-C60) has been synthesized by reaction of the bis(trimethylsilyl)-acetylene complex of titanocene Cp2Ti(η2-Me3SiC2SiMe3) with an equimolar amount of fullerene-60 in toluene at room temperature under argon. An X-ray diffraction study of the complex has shown that it has the structure of a titanacyclopropane derivative.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    The Townes and Dailey approach to the interpretation of NQR parameters in the light of non-empirical calculations. Three-membered rings (1995)
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. 761-766 
    Details
    ISSN: 0749-1581
    Keywords: non-empirical calculations ; NQR parameters ; Townes and Dailey theory ; three-membered rings ; LMO approach ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The nuclear and electronic contributions to the EFG tensor components eqii at 14N, 17O, 33S and 35Cl nuclei in aziridine, methylaziridine, chloroaziridine, oxirane and thiirane were determined. The nuclear contributions were calculated within classical representations, while electronic contributions were calculated non-empirically using a 6-31G* basis set within the framework of the LMO approach. On the basis of the analysis of the contributions to the EFG tensor components from definite bond and lone-pair orbitals, the main concepts of the Townes and Dailey approach were tested.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/mrc.1260331002
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  • 5
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    Source-receptor relationships for airborne measurements of CO2, CO and O3 above Siberia: a cluster-based approach (2010)
    Copernicus
    Details
    Publication Date: 2010-02-15
    Description: We analysed results of three intensive aircraft campaigns above Siberia (April and September 2006, August 2007) with a total of ~70 h of continuous CO2, CO and O3 measurements. The flight route consists of consecutive ascents and descents between Novosibirsk (55° N, 82° E) and Yakutsk (62° N, 129° E). We performed retroplume calculations with the Lagrangian particle dispersion model FLEXPART for many short segments along the flight tracks. To reduce the extremely rich information on source regions provided by the model calculation into a small number of distinct cases, we performed a statistical clustering – to our knowledge for the first time – into potential source regions of the footprint emission sensitivities obtained from the model calculations. This technique not only worked well to separate source region influences but also resulted in clearly distinct tracer concentrations for the various clusters obtained. High CO and O3 concentrations were found associated with agricultural fire plumes originating from Kazakhstan in September 2006. A statistical analysis indicates that summer uptake of CO2 is largely explained (~50% of variance) by air mass exposure to uptake by Siberian and sub-arctic ecosystems. This resulted in an average 5 to 10 ppm difference with overlaying air masses. Stratosphere-troposphere exchange is found to strongly influence the observed O3 mixing ratios in spring, but not in summer. European emissions contributed to high O3 concentrations above Siberia in April 2006 and August 2007, while emissions from North Eastern China also contributed to higher O3 mixing ratios in summer, but tend to lower mixing ratios in spring, when the airmass aerosol burden is important. In the lower troposphere, large-scale deposition processes in the boreal and sub-arctic boundary layer is a large O3 sink, resulting in a ~20 ppb difference with overlaying air masses. Lagrangian footprint clustering is very promising and could also be advantageously applied to the interpretation of ground based measurements including calculation of tracers' sources and sinks.
    Print ISSN: 1680-7316
    Electronic ISSN: 1680-7324
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 6
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    Wildfire smoke in the Siberian Arctic in summer: source characterization and plume evolution from airborne measurements (2009)
    Copernicus
    Details
    Publication Date: 2009-12-11
    Description: We present airborne measurements of carbon dioxide (CO2), carbon monoxide (CO), ozone (O3), equivalent black carbon (EBC) and ultra fine particles over North-Eastern Siberia in July 2008 performed during the YAK-AEROSIB/POLARCAT experiment. During a "golden day" (11 July 2008) a number of biomass burning plumes were encountered with CO mixing ratio enhancements of up to 500 ppb relative to a background of 90 ppb. Number concentrations of aerosols in the size range 3.5–200 nm peaked at 4000 cm−3 and the EBC content reached 1.4 μg m−3. These high concentrations were caused by forest fires in the vicinity of the landing airport in Yakutsk where measurements in fresh smoke could be made during the descent. We estimate a combustion efficiency of 90 ± 3% based on CO and CO2 measurements and a CO emission factor of 65.5 ± 10.8 g CO per kilogram of dry matter burned. This suggests a potential increase in the average northern hemispheric CO mixing ratio of 3.0–7.2 ppb per million hectares of Siberian forest burned. For BC, we estimate an emission factor of 0.52 ± 0.07 g BC kg−1, comparable to values reported in the literature. The emission ratio of ultra-fine particles (3.5–200 nm) was 26 cm−3 (ppb CO)−1, consistent with other airborne studies. The transport of identified biomass burning plumes was investigated using the FLEXPART Lagrangian model. Based on sampling of wildfire plumes from the same source but with different atmospheric ages derived from FLEXPART, we estimate that the e-folding lifetimes of EBC and ultra fine particles (between 3.5 and 200 nm in size) against removal and growth processes are 5.1 and 5.5 days respectively, supporting lifetime estimates used in various modelling studies.
    Print ISSN: 1680-7316
    Electronic ISSN: 1680-7324
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 7
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    Technical Note: VUV photodesorption rates from water ice in the 120–150 K temperature range – significance for Noctilucent Clouds (2011)
    Copernicus
    Details
    Publication Date: 2011-02-25
    Description: Laboratory studies have been carried out with the aim to improve our understanding of physicochemical processes which take place at the water ice/air interface initiated by solar irradiation with a wavelength of 121.6 nm. It was intended to mimic the processes of ice particles characteristic of Noctilucent Clouds (NLCs). The experimental set-up used includes a high-vacuum chamber, a gas handling system, a cryostat with temperature controller, an FTIR spectrometer, a vacuum ultraviolet hydrogen lamp, and a microwave generator. We report the first results of measurements of the absolute photodesorption rate (loss of substance due to the escape of photoproducts into gas phase) from thin (20–100 nm) water ice samples kept in the temperature range of 120–150 K. The obtained results show that a flow of photoproducts into the gas phase is considerably lower than presumed in the recent study by Murray and Plane (2005). The experiments indicate that almost all photoproducts remain in the solid phase, and the principal chemical reaction between them is the recombination reaction H + OH → H2O which is evidently very fast. This means that direct photolysis of mesospheric ice particles seems to have no significant impact on the gas phase chemistry of the upper mesosphere.
    Print ISSN: 1680-7316
    Electronic ISSN: 1680-7324
    Topics: Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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  • 8
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    The mechanism of non-linear photochemical oscillations in the mesopause region (2012)
    Copernicus
    Details
    Publication Date: 2012-09-06
    Description: The mechanism of generation of 2-day photochemical oscillations in the mesopause region (80–90 km) has been studied analytically. The initial system of equations of chemical kinetics describing the temporal evolution of O, O3, H, OH and HO2 concentrations with allowance for diurnal variations of solar radiation has been simplified successively to a system of two nonlinear first-order time equations with sinusoidal external forcing. The obtained system has a minimum number of terms needed for generation of 2-day oscillations. Linearization of this system near the period-doubling threshold permits separating explicitly a particular case of the Mathieu equation ẍ + α · sin ω t · x = 0, in which the first sub-harmonic (ω/2) of the exciting force starts to grow exponentially when the amplitude of external forcing (α) exceeds its threshold value. Finally, a system of two simplest differential equations with power-law nonlinearity has been derived that allows analytical investigation of the effect of arising of reaction-diffusion waves in the mesospheric photochemical system.
    Print ISSN: 1023-5809
    Electronic ISSN: 1607-7946
    Topics: Geosciences , Physics
    Published by Copernicus on behalf of European Geosciences Union.
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  • 9
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    Lagrangian study of surface transport in the Kuroshio Extension area based on simulation of propagation of Fukushima-derived radionuclides (2014)
    Copernicus
    Details
    Publication Date: 2014-02-24
    Description: Lagrangian approach is applied to study near-surface large-scale transport in the Kuroshio Extension area using a simulation with synthetic particles advected by AVISO altimetric velocity field. A material line technique is proposed and applied to find out the origin of water masses in cold-core cyclonic rings pinched off from the jet in summer 2011. Tracking and Lagrangian maps provide the evidence of cross-jet transport. Fukushima-derived caesium isotopes are used as Lagrangian tracers to study transport and mixing in the area a few months after the 11 March 2011 tsunami that caused heavy damage of the Fukushima Nuclear Power Plant (FNPP). Tracking maps are computed to trace the origin of water parcels with measured levels of 134Cs and 137Cs concentrations collected during two research vessel (R/V) cruises in June and July 2011 in the large area of the northwest Pacific (Kaeriyama et al., 2013; Buesseler et al., 2012). It is shown that Lagrangian simulations are useful for finding the surface areas that are potentially dangerous due to the risk of radioactive contamination. The results of simulation are supported by tracks of the surface drifters that were deployed in the area.
    Print ISSN: 1023-5809
    Electronic ISSN: 1607-7946
    Topics: Geosciences , Physics
    Published by Copernicus on behalf of European Geosciences Union.
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  • 10
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    Natural and anthropogenic methane fluxes in Eurasia: a meso-scale quantification by generalized atmospheric inversion (2014)
    Copernicus
    Details
    Publication Date: 2014-10-13
    Description: Eight surface observation sites providing quasi-continuous measurements of atmospheric methane mixing ratios have been operated since the mid-2000's in Siberia. For the first time in a single work, we assimilate all of these in situ data in an atmospheric inversion. Our objective is to quantify methane surface fluxes from anthropogenic and wetland sources at the meso-scale in the Siberian Lowlands for the year 2010. To do so, we first inquire into the way the inversion uses the observations and the fluxes are constrained by the observation sites. As atmospheric inversions at the meso-scale suffer from mis-quantified sources of uncertainties, we follow recent innovations in inversion techniques and use a new inversion approach which quantifies the uncertainties more objectively than the previous inversions. We find that, due to errors in the representation of the atmospheric transport and redundant pieces of information, only one observation every few days is found valuable by the inversion. The remaining high-resolution signals are representative of very local emission patterns. An analysis of the use of information by the inversion also reveals that the observation sites constrain methane emissions within a radius of 500 km. More observation sites are necessary to constrain the whole Siberian Lowlands. Still, the fluxes within the constrained areas are quantified with objectified uncertainties. At the end, the tolerance intervals for posterior methane fluxes are of roughly 20% (resp. 50%) of the fluxes for anthropogenic (resp. wetland) sources. About 50–70% of emissions are constrained by the inversion on average on an annual basis. Extrapolating the figures on the constrained areas to the whole Siberian Lowlands, we find a regional methane budget of 5–28 Tg CH4 for the year 2010, i.e. 1–5% of the global methane emissions. As very few in situ observations are available in the region of interest, observations of methane total columns from the Greenhouse Gas Observing SATellite (GOSAT) are used for the evaluation of the inversion results, but they exhibit marginal signal from the fluxes within the region of interest.
    Print ISSN: 1810-6277
    Electronic ISSN: 1810-6285
    Topics: Biology , Geosciences
    Published by Copernicus on behalf of European Geosciences Union.
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