Vorträge gehalten auf der Wissenschaftlichen Tagung des Ernährungswissenschaftlichen Beirats der deutschen Fischwirtschaft in Bad Oeynhausen am 7. u. 8. November 1959 - Beiheft 2

Inhalt. F. Bramstedt: Der Einfluß von Fangreise und Fischauktion auf die stickstoffhaltigen Nichteiweißfraktionen von Seefischen. G. Siebert: Die Bedeutung der fischeignen Enzyme für die Lagerungsfähigkeit. v.Meyer: Fragestellung und Problemlage der bakteriologischen Forschung auf dem Fischsektor. H.D. Cremer; G. Jellinek: Die Anwendung der sensorischen Analyse für die Qualitätsbeurteilung von frischen Seefischen. H. Mann: Der Fettgehalt bei Fischen.

Beschreibung des aktuellen Verlaufes der jährlichen Reifeentwicklung und der Laichaktivitäten von Dorschen in der Arkonasee (ICES SD 24)

Abstract The spawning activities of cod were described in the Arkona Sea from 2009 to 2012 and were compared with estimates of the period 1992 – 1999. Cod spawned mainly from beginning of June till the middle of July every year. In the same period spawning was observed in the Bornholm Sea. The spawning activities in July were limited by water temperature above the critical limits. Spawning activities in spring which were observed in the 90 ties were of lower importance between 2009 and 2012. Higher proportions of spent cod were observed in the Arkona Sea in August and autumn between 2009 and 2012 compared to the earlier period, indicating immigration of cod from the Bornholm Sea after spawning. The study showed that higher proportion of cod with developing sex products were observed in the Arkona Sea between 2009 and 2012 compared to the 90 ties. Kurzfassung Die Laichaktivitäten der Dorsche in der Arkonasee werden für den Zeitraum 2009 – 2012 dargestellt und im Vergleich mit dem Zeitraum 1992 – 1999 diskutiert. Die Hauptlaichaktivitäten haben im Untersuchungszeitraum von Anfang Juni bis Mitte Juli stattgefunden und lagen damit in ihrem jahreszeitlichen Verlauf innerhalb der Zeitperiode der Laichaktivitäten in der angrenzenden Bornholmsee. In der Arkonasee wurden jeweils im Juli diese Ereignisse durch ansteigende Wassertemperaturenbegrenzt. Die, noch in den 90-er Jahren beobachteten, Laichaktivitäten im Frühjahr haben aktuell an Bedeutung verloren. Im Spätsommer und Herbst war ein, im Vergleich zu den 90-er Jahren, höherer Anteil an abgelaichten Tieren in der Arkonasee zu beobachten, der als Indiz für eine Zuwanderung von abgelaichten Dorschen aus der Bornholmsee gewertet wird. Insgesamt hat der Anteil an Tieren mit sich entwickelnden Geschlechtsprodukten (aktive Laicher) im Untersuchungszeitraum, im Vergleich zu den 90-er Jahren, zugenommen.

Precursor adsorption on copper surfaces as the first step during the deposition of copper: a density functional study with van der Waals correction

Copper dimethylamino-2-propoxide [Cu(dmap)2] is used as a precursor for low-temperature atomic layer deposition (ALD) of copper thin films. Chemisorption of the precursor is the necessary first step of ALD, but it is not known in this case whether there is selectivity for adsorption sites, defects, or islands on the substrate. Therefore, we study the adsorption of the Cu(dmap)2 molecule on the different sites on flat and rough Cu surfaces using PBE, PBE-D3, optB88-vdW, and vdW-DF2 methods. We found the relative order of adsorption energies for Cu(dmap)2 on Cu surfaces is Eads (PBE-D3) > Eads (optB88-vdW) > Eads (vdW-DF2) > Eads (PBE). The PBE and vdW-DF2 methods predict one chemisorption structure, while optB88-vdW predicts three chemisorption structures for Cu(dmap)2 adsorption among four possible adsorption configurations, whereas PBE-D3 predicts a chemisorbed structure for all the adsorption sites on Cu(111). All the methods with and without van der Waals corrections yield a chemisorbed molecule on the Cu(332) step and Cu(643) kink because of less steric hindrance on the vicinal surfaces. Strong distortion of the molecule and significant elongation of Cu–N bonds are predicted in the chemisorbed structures, indicating that the ligand–Cu bonds break during the ALD of Cu from Cu(dmap)2. The molecule loses its initial square-planar structure and gains linear O–Cu–O bonding as these atoms attach to the surface. As a result, the ligands become unstable and the precursor becomes more reactive to the coreagent. Charge redistribution mainly occurs between the adsorbate O–Cu–O bond and the surface. Bader charge analysis shows that electrons are donated from the surface to the molecule in the chemisorbed structures, so that the Cu center in the molecule is partially reduced.

Observation of the C2H2-N2O van der Waals complex in the overtone range using CW-CRDS

A slit nozzle supersonic expansion containing C2H2 (246 sccm) and N2O (355 sccm) seeded into Ar (1260 sccm) is investigated using CW cavity ring-down spectroscopy, in the 1.5 μm range. The C2H2-N2O van der Waals complex is observed around the 2CH acetylenic band. Despite strong perturbations, 117 b-type lines are assigned. Their combined fit with published microwave data leads to new upper state and improved lower state rotational constants. The Lorentzian width of the assigned line profiles sets the mean lifetime to 1.6 ns. The rotational temperature is estimated to be 15 K from the comparison between observed and simulated spectra. © 2008 Elsevier B.V. All rights reserved.

Ab initio investigation of C2H2/X Van der Waals complexes (X=Noble gas, CO2, N2O)

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The Fantasio set-up: High resolution overtone spectroscopy of acetylene containing van der Waals dimers

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The C2H2-Ar van der Waals complex

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Investigation of acetylene-containing van der Waals complexes by cavity ring-down spectroscopy and ab initio calculations

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12C2H2-Ar van der Waals complex

New theoretical and experimental results on the acetylene-Ar van der Waals complex are presented and the literature is reviewed. New ab initio calculations at the MP2 level were performed using large basis sets with diffuse functions and taking into account the basis set superposition error. It was found that the structure of acetylene is not significantly altered by the complexation and that its vibrational frequencies are only slightly lowered. Finally, it was observed that the calculated properties of the complex (structure, vibrational spectrum, bond dissociation energy) are not sensitive to the structure imposed on acetylene. Experimentally, acetylene-Ar was produced in a supersonic expansion under experimental conditions corresponding to 9 K rotational temperature. Thanks to the performances of CW-CRDS detection, the Ka = 0 ← 1, 1 ← 0, and 2 ← 1 sub- bands of the v1 + v3 band could be recorded and resolved and most of their lines assigned. Upper-state rotational constants were fitted, however not including the upper Ka = 2 state, which shows K-doubling the opposite of the expected. The Lorentzian width of most line profiles sets the mean lifetime to some 7.5 ns. Local perturbations affecting line positions and/or line widths are demonstrated. Additional series of lines tentatively attributed to acetylene-Ar are discussed.© 2009 American Chemical Society.

Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

Accurate ab initio intermolecular potential energy surfaces (IPES) have been obtained for the first time for the ground electronic state of the C 2H2-Kr and C2H2-Xe van der Waals complexes. Extensive tests, including complete basis set and all-electron scalar relativistic results, support their calculation at the CCSD(T) level of theory, using small-core relativistic pseudopotentials for the rare-gas atoms and aug-cc-pVQZ basis sets extended with a set of 3s3p2d1f1g mid-bond functions. All results are corrected for the basis set superposition error. The importance of the scalar relativistic and rare-gas outer-core (n.1)d correlation effects is investigated. The calculated IPES, adjusted to analytical functions, are characterized by global minima corresponding to skew T-shaped geometries, in which the Jacobi vector positioning the rare-gas atom with respect to the center of mass of the C2H2 moiety corresponds to distances of 4.064 and 4.229Å, and angles of 65.22° and 68.67° for C 2H2-Kr and C2H2-Xe, respectively. The interaction energy of both complexes is estimated to be -151.88 (1.817 kJ mol-1) and -182.76 cm-1 (2.186 kJ mol-1), respectively. The evolution of the topology of the IPES as a function of the rare-gas atom, from He to Xe, is also discussed. © 2012 Taylor and Francis.

Theoretical considerations of electrochemical phase formation for an ideal Frank-van der Merwe system - Ag on Au(111) and Au(100)

: Static calculation and preliminary kinetic Monte Carlo simulation studies are undertaken for the nucleation and growth on a model system which follows a Frank-van der Merwe mechanism. In the present case, we consider the deposition of Ag on Au(100) and Au(111) surfaces. The interactions were calculated using the embedded atom model. The kinetics of formation and growth of 2D Ag structures on Au(100) and Au(111) is investigated and the influence of surface steps on this phenomenon is studied. Very different time scales are predicted for Ag diffusion on Au(100) and Au(111), thus rendering very different regimes for the nucleation and growth of the related 2D phases. These observations are drawn from the application of a model free of any adjustable parameter.