TY  - JOUR
A1  - Sorge, Arndt
T1  - A failure of capitalism the crisis of '08 and the descent into depression
JF  - Socio-economic review
KW  - financial crisis
KW  - financial institutions
KW  - financial markets
KW  - capitalism
KW  - globalization
Y1  - 2011
SN  - 1475-1461
VL  - 9
IS  - 1
SP  - 169
EP  - 186
PB  - Oxford Univ. Press
CY  - Oxford
ER  - 
TY  - JOUR
A1  - Reich, Sebastian
T1  - A dynamical systems framework for intermittent data assimilation
JF  - BIT : numerical mathematics ; the leading applied mathematics journal for all computational mathematicians
N2  - We consider the problem of discrete time filtering (intermittent data assimilation) for differential equation models and discuss methods for its numerical approximation. The focus is on methods based on ensemble/particle techniques and on the ensemble Kalman filter technique in particular. We summarize as well as extend recent work on continuous ensemble Kalman filter formulations, which provide a concise dynamical systems formulation of the combined dynamics-assimilation problem. Possible extensions to fully nonlinear ensemble/particle based filters are also outlined using the framework of optimal transportation theory.
KW  - Data assimilation
KW  - Ensemble Kalman filter
KW  - Dynamical systems
KW  - Nonlinear filters
KW  - Optimal transportation
Y1  - 2011
U6  - https://doi.org/10.1007/s10543-010-0302-4
SN  - 0006-3835
VL  - 51
IS  - 1
SP  - 235
EP  - 249
PB  - Springer
CY  - Dordrecht
ER  - 
TY  - BOOK
A1  - Wolf, Hans-Georg
A1  - Cummings, Patrick
T1  - A dictionary of Hong Kong English : words from the fragrant harbor
Y1  - 2011
SN  - 988-808330-9
PB  - Univ. of Hong Kong
CY  - Hong Kong
ER  - 
TY  - JOUR
A1  - Masanes, Lluis
A1  - Müller, Markus P.
T1  - A derivation of quantum theory from physical requirements
JF  - New journal of physics : the open-access journal for physics
N2  - Quantum theory (QT) is usually formulated in terms of abstract mathematical postulates involving Hilbert spaces, state vectors and unitary operators. In this paper, we show that the full formalism of QT can instead be derived from five simple physical requirements, based on elementary assumptions regarding preparations, transformations and measurements. This is very similar to the usual formulation of special relativity, where two simple physical requirements-the principles of relativity and light speed invariance-are used to derive the mathematical structure of Minkowski space-time. Our derivation provides insights into the physical origin of the structure of quantum state spaces (including a group-theoretic explanation of the Bloch ball and its three dimensionality) and suggests several natural possibilities to construct consistent modifications of QT.
Y1  - 2011
U6  - https://doi.org/10.1088/1367-2630/13/6/063001
SN  - 1367-2630
VL  - 13
IS  - 1
PB  - IOP Publ. Ltd.
CY  - Bristol
ER  - 
TY  - JOUR
A1  - Samuel, Prinson P.
A1  - Horn, Sebastian
A1  - Döring, Alexander
A1  - Havelius, Kajsa G. V.
A1  - Reschke, Stefan
A1  - Leimkühler, Silke
A1  - Haumann, Michael
A1  - Schulzke, Carola
T1  - A Crystallographic and Mo K-Edge XAS Study of Molybdenum Oxo Bis-,Mono-, and Non-Dithiolene Complexes - First-Sphere Coordination Geometry and Noninnocence of Ligands
JF  - European journal of inorganic chemistry : a journal of ChemPubSoc Europe
N2  - Ten square-based pyramidal molybdenum complexes with different sulfur donor ligands, that is, a variety of dithiolenes and sulfides, were prepared, which mimic coordination motifs of the molybdenum cofactors of molybdenum-dependent oxidoreductases. The model compounds were investigated by Mo K-edge X-ray absorption spectroscopy (XAS) and (with one exception) their molecular structures were analyzed by X-ray diffraction to derive detailed information on bond lengths and geometries of the first coordination shell of molybdenum. Only small variations in Mo=O and Mo-S bond lengths and their respective coordination angles were observed for all complexes including those containing Mo(CO)(2) or Mo(mu-S)(2)Mo motifs. XAS analysis (edge energy) revealed higher relative oxidation levels in the molybdenum ion in compounds with innocent sulfur-based ligands relative to those in dithiolene complexes, which are known to exhibit noninnocence, that is, donation of substantial electron density from ligand to metal. In addition, longer average Mo-S and Mo=O bonds and consequently lower.(Mo=O) stretching frequencies in the IR spectra were observed for complexes with dithiolene-derived ligands. The results emphasize that the noninnocent character of the dithiolene ligand influences the electronic structure of the model compounds, but does not significantly affect their metal coordination geometry, which is largely determined by the Mo(IV) or (V) ion itself. The latter conclusion also holds for the molybdenum site geometries in the oxidized Mo-VI cofactor of DMSO reductase and the reduced Mo-IV cofactor of arsenite oxidase. The innocent behavior of the dithiolene molybdopterin ligands observed in the enzymes is likely to be related to cofactor-protein interactions.
KW  - Molybdenum
KW  - Enzyme models
KW  - X-ray absorption spectroscopy
KW  - Noninnocence
KW  - Bioinorganic chemistry
Y1  - 2011
U6  - https://doi.org/10.1002/ejic.201100331
SN  - 1434-1948
IS  - 28
SP  - 4387
EP  - 4399
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Schmidt, Bernd
A1  - Staude, Lucia
A1  - Kelling, Alexandra
A1  - Schilde, Uwe
T1  - A Cross-Metathesis-Conjugate addition route to enantiopure gamma-Butyrolactams and gamma-Lactones from a C-2-Symmetric Precursor
JF  - European journal of organic chemistry
N2  - A protected derivative of (3R, 4R)-hexa-1,5-diene-3,4-diol, a conveniently accessible C-2-symmetric building block, undergoes single or double cross metathesis with methyl acryl-ate. The cross metathesis products are amenable to stereoselective conjugate addition reactions and can be converted into either gamma-butyrolactones or gamma-lactams.
KW  - Lactams
KW  - Lactones
KW  - Oxygen heterocycles
KW  - Metathesis
KW  - Desymmetrization
Y1  - 2011
U6  - https://doi.org/10.1002/ejoc.201001528
SN  - 1434-193X
IS  - 9
SP  - 1721
EP  - 1727
PB  - Wiley-Blackwell
CY  - Malden
ER  - 
TY  - GEN
A1  - Kramer, Markus
A1  - Kleinpeter, Erich
T1  - A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings (vol 212, pg 174, 2011)
T2  - Journal of magnetic resonance
Y1  - 2011
U6  - https://doi.org/10.1016/j.jmr.2011.09.017
SN  - 1090-7807
VL  - 213
IS  - 1
SP  - 210
EP  - 211
PB  - Elsevier
CY  - San Diego
ER  - 
TY  - JOUR
A1  - Kramer, Markus
A1  - Kleinpeter, Erich
T1  - A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings
JF  - Journal of magnetic resonance
N2  - The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.
KW  - NMR
KW  - Residual dipolar couplings
KW  - Molecular dynamics
KW  - N-acetyl glucosamine derivatives
KW  - Carbohydrates
Y1  - 2011
U6  - https://doi.org/10.1016/j.jmr.2011.06.029
SN  - 1090-7807
VL  - 212
IS  - 1
SP  - 174
EP  - 185
PB  - Elsevier
CY  - San Diego
ER  - 
TY  - JOUR
A1  - Bland-Hawthorn, Joss
A1  - Ellis, S. C.
A1  - Leon-Saval, S. G.
A1  - Haynes, R.
A1  - Roth, Martin M.
A1  - Löhmannsröben, Hans-Gerd
A1  - Horton, A. J.
A1  - Cuby, J. -G.
A1  - Birks, T. A.
A1  - Lawrence, J. S.
A1  - Gillingham, P.
A1  - Ryder, S. D.
A1  - Trinh, C.
T1  - A complex multi-notch astronomical filter to suppress the bright infrared sky
JF  - Nature Communications
N2  - A long-standing and profound problem in astronomy is the difficulty in obtaining deep near-infrared observations due to the extreme brightness and variability of the night sky at these wavelengths. A solution to this problem is crucial if we are to obtain the deepest possible observations of the early Universe, as redshifted starlight from distant galaxies appears at these wavelengths. The atmospheric emission between 1,000 and 1,800 nm arises almost entirely from a forest of extremely bright, very narrow hydroxyl emission lines that varies on timescales of minutes. The astronomical community has long envisaged the prospect of selectively removing these lines, while retaining high throughput between them. Here we demonstrate such a filter for the first time, presenting results from the first on-sky tests. Its use on current 8 m telescopes and future 30 m telescopes will open up many new research avenues in the years to come.
Y1  - 2011
U6  - https://doi.org/10.1038/ncomms1584
SN  - 2041-1723
VL  - 2
IS  - 50
PB  - Nature Publ. Group
CY  - London
ER  - 
TY  - JOUR
A1  - Fuhrmann, Marcel
A1  - Seehafer, Norbert
A1  - Valori, Gherardo
A1  - Wiegelmann, Thomas
T1  - A comparison of preprocessing methods for solar force-free magnetic field extrapolation
Y1  - 2011
UR  - http://www.aanda.org/index.php?option=com_article&access=standard&Itemid=129&url=/articles/aa/full_html/ 2011/02/aa15453-10/aa15453-10.html
SN  - 0004-6361
ER  - 
TY  - JOUR
A1  - Fuhrmann, Marcel
A1  - Seehafer, Norbert
A1  - Valori, Gherardo
A1  - Wiegelmann, T.
T1  - A comparison of preprocessing methods for solar force-free magnetic field extrapolation
JF  - Astronomy and astrophysics : an international weekly journal
N2  - Context. Extrapolations of solar photospheric vector magnetograms into three-dimensional magnetic fields in the chromosphere and corona are usually done under the assumption that the fields are force-free. This condition is violated in the photosphere itself and a thin layer in the lower atmosphere above. The field calculations can be improved by preprocessing the photospheric magnetograms. The intention here is to remove a non-force-free component from the data.
 Aims. We compare two preprocessing methods presently in use, namely the methods of Wiegelmann et al. (2006, Sol. Phys., 233, 215) and Fuhrmann et al. (2007, A&A, 476, 349).
 Methods. The two preprocessing methods were applied to a vector magnetogram of the recently observed active region NOAA AR 10 953. We examine the changes in the magnetogram effected by the two preprocessing algorithms. Furthermore, the original magnetogram and the two preprocessed magnetograms were each used as input data for nonlinear force-free field extrapolations by means of two different methods, and we analyze the resulting fields.
 Results. Both preprocessing methods managed to significantly decrease the magnetic forces and magnetic torques that act through the magnetogram area and that can cause incompatibilities with the assumption of force-freeness in the solution domain. The force and torque decrease is stronger for the Fuhrmann et al. method. Both methods also reduced the amount of small-scale irregularities in the observed photospheric field, which can sharply worsen the quality of the solutions. For the chosen parameter set, the Wiegelmann et al. method led to greater changes in strong-field areas, leaving weak-field areas mostly unchanged, and thus providing an approximation of the magnetic field vector in the chromosphere, while the Fuhrmann et al. method weakly changed the whole magnetogram, thereby better preserving patterns present in the original magnetogram. Both preprocessing methods raised the magnetic energy content of the extrapolated fields to values above the minimum energy, corresponding to the potential field. Also, the fields calculated from the preprocessed magnetograms fulfill the solenoidal condition better than those calculated without preprocessing.
KW  - Sun: magnetic topology
KW  - Sun: atmosphere
KW  - magnetohydrodynamics (MHD)
Y1  - 2011
U6  - https://doi.org/10.1051/0004-6361/201015453
SN  - 0004-6361
VL  - 526
PB  - EDP Sciences
CY  - Les Ulis
ER  - 
TY  - JOUR
A1  - Ackermann, Margit
A1  - Ajello, M.
A1  - Allafort, A. J.
A1  - Baldini, L.
A1  - Ballet, J.
A1  - Barbiellini, G.
A1  - Bastieri, D.
A1  - Belfiore, A.
A1  - Bellazzini, R.
A1  - Berenji, B.
A1  - Blandford, R. D.
A1  - Bloom, E. D.
A1  - Bonamente, E.
A1  - Borgland, A. W.
A1  - Bottacini, E.
A1  - Brigida, M.
A1  - Bruel, P.
A1  - Buehler, R.
A1  - Buson, S.
A1  - Caliandro, G. A.
A1  - Cameron, R. A.
A1  - Caraveo, P. A.
A1  - Casandjian, J. M.
A1  - Cecchi, C.
A1  - Chekhtman, A.
A1  - Cheung, C. C.
A1  - Chiang, J.
A1  - Ciprini, S.
A1  - Claus, R.
A1  - Cohen-Tanugi, J.
A1  - de Angelis, A.
A1  - de Palma, F.
A1  - Dermer, C. D.
A1  - do Couto e Silva, E.
A1  - Drell, P. S.
A1  - Dumora, D.
A1  - Favuzzi, C.
A1  - Fegan, S. J.
A1  - Focke, W. B.
A1  - Fortin, P.
A1  - Fukazawa, Y.
A1  - Fusco, P.
A1  - Gargano, F.
A1  - Germani, S.
A1  - Giglietto, N.
A1  - Giordano, F.
A1  - Giroletti, M.
A1  - Glanzman, T.
A1  - Godfrey, G.
A1  - Grenier, I. A.
A1  - Guillemot, L.
A1  - Guiriec, S.
A1  - Hadasch, D.
A1  - Hanabata, Y.
A1  - Harding, A. K.
A1  - Hayashida, M.
A1  - Hayashi, K.
A1  - Hays, E.
A1  - Johannesson, G.
A1  - Johnson, A. S.
A1  - Kamae, T.
A1  - Katagiri, H.
A1  - Kataoka, J.
A1  - Kerr, M.
A1  - Knoedlseder, J.
A1  - Kuss, M.
A1  - Lande, J.
A1  - Latronico, L.
A1  - Lee, S. -H.
A1  - Longo, F.
A1  - Loparco, F.
A1  - Lott, B.
A1  - Lovellette, M. N.
A1  - Lubrano, P.
A1  - Martin, P.
A1  - Mazziotta, Mario Nicola
A1  - McEnery, J. E.
A1  - Mehault, J.
A1  - Michelson, P. F.
A1  - Mitthumsiri, W.
A1  - Mizuno, T.
A1  - Monte, C.
A1  - Monzani, M. E.
A1  - Morselli, A.
A1  - Moskalenko, I. V.
A1  - Murgia, S.
A1  - Naumann-Godo, M.
A1  - Nolan, P. L.
A1  - Norris, J. P.
A1  - Nuss, E.
A1  - Ohsugi, T.
A1  - Okumura, A.
A1  - Orlando, E.
A1  - Ormes, J. F.
A1  - Ozaki, M.
A1  - Paneque, D.
A1  - Parent, D.
A1  - Pesce-Rollins, M.
A1  - Pierbattista, M.
A1  - Piron, F.
A1  - Pohl, Martin
A1  - Prokhorov, D.
A1  - Raino, S.
A1  - Rando, R.
A1  - Razzano, M.
A1  - Reposeur, T.
A1  - Ritz, S.
A1  - Parkinson, P. M. Saz
A1  - Sgro, C.
A1  - Siskind, E. J.
A1  - Smith, P. D.
A1  - Spinelli, P.
A1  - Strong, A. W.
A1  - Takahashi, H.
A1  - Tanaka, T.
A1  - Thayer, J. G.
A1  - Thayer, J. B.
A1  - Thompson, D. J.
A1  - Tibaldo, L.
A1  - Torres, D. F.
A1  - Tosti, G.
A1  - Tramacere, A.
A1  - Troja, E.
A1  - Uchiyama, Y.
A1  - Vandenbroucke, J.
A1  - Vasileiou, V.
A1  - Vianello, G.
A1  - Vitale, V.
A1  - Waite, A. P.
A1  - Wang, P.
A1  - Winer, B. L.
A1  - Wood, K. S.
A1  - Yang, Z.
A1  - Zimmer, S.
A1  - Bontemps, S.
T1  - A cocoon of freshly accelerated cosmic rays detected by fermi in the cygnus superbubble
JF  - Science
N2  - The origin of Galactic cosmic rays is a century-long puzzle. Indirect evidence points to their acceleration by supernova shockwaves, but we know little of their escape from the shock and their evolution through the turbulent medium surrounding massive stars. Gamma rays can probe their spreading through the ambient gas and radiation fields. The Fermi Large Area Telescope (LAT) has observed the star-forming region of Cygnus X. The 1- to 100-gigaelectronvolt images reveal a 50-parsec-wide cocoon of freshly accelerated cosmic rays that flood the cavities carved by the stellar winds and ionization fronts from young stellar clusters. It provides an example to study the youth of cosmic rays in a superbubble environment before they merge into the older Galactic population.
Y1  - 2011
U6  - https://doi.org/10.1126/science.1210311
SN  - 0036-8075
VL  - 334
IS  - 6059
SP  - 1103
EP  - 1107
PB  - American Assoc. for the Advancement of Science
CY  - Washington
ER  - 
TY  - JOUR
A1  - Baumgärtel, Hellmut
T1  - A Characteristic decay semigroup for the resonances of trace class perturbations with analyticity conditions of semibounded hamiltonians
JF  - International journal of theoretical physic
N2  - To asymptotic complete scattering systems {M(+) + V, M(+)} on H(+) := L(2)(R(+), K, d lambda), where M(+) is the multiplication operator on H(+) and V is a trace class operator with analyticity conditions, a decay semigroup is associated such that the spectrum of the generator of this semigroup coincides with the set of all resonances (poles of the analytic continuation of the scattering matrix into the lower half plane across the positive half line), i.e. the decay semigroup yields a "time-dependent" characterization of the resonances. As a counterpart a "spectral characterization" is mentioned which is due to the "eigenvalue-like" properties of resonances.
KW  - Resonances
KW  - Scattering theory
KW  - Lax-Phillips theory
KW  - Decay semigroups
Y1  - 2011
U6  - https://doi.org/10.1007/s10773-010-0533-9
SN  - 0020-7748
VL  - 50
IS  - 7
SP  - 2002
EP  - 2008
PB  - Springer
CY  - New York
ER  - 
TY  - JOUR
A1  - Lappe, Michael
A1  - Kallmeyer, Jens
T1  - A cell extraction method for oily sediments
JF  - Frontiers in microbiology
N2  - Hydrocarbons can be found in many different habitats and represent an important carbon source for microbes. As fossil fuels, they are also an important economical resource and through natural seepage or accidental release they can be major pollutants. DNA-specific stains and molecular probes bind to hydrocarbons, causing massive background fluorescence, thereby hampering cell enumeration. The cell extraction procedure of Kallmeyer et al. (2008) separates the cells from the sediment matrix. In principle, this technique can also be used to separate cells from oily sediments, but it was not originally optimized for this application. Here we present a modified extraction method in which the hydrocarbons are removed prior to cell extraction. Due to the reduced background fluorescence the microscopic image becomes clearer, making cell identification, and enumeration much easier. Consequently, the resulting cell counts from oily samples treated according to our new protocol are significantly higher than those treated according to Kallmeyer et al. (2008). We tested different amounts of a variety of solvents for their ability to remove hydrocarbons and found that n-hexane and in samples containing more mature oils methanol, delivered the best results. However, as solvents also tend to lyse cells, it was important to find the optimum solvent to sample ratio, at which hydrocarbon extraction is maximized and cell lysis minimized. A volumetric ratio of 1:2-1:5 between a formalin-fixed sediment slurry and solvent delivered highest cell counts. Extraction efficiency was around 30-50% and was checked on both oily samples spiked with known amounts of E. coli cells and oil-free samples amended with fresh and biodegraded oil. The method provided reproducible results on samples containing very different kinds of oils with regard to their degree of biodegradation. For strongly biodegraded oil MeOH turned out to be the most appropriate solvent, whereas for less biodegraded samples n-hexane delivered best results.
KW  - cell enumeration
KW  - hydrocarbons
KW  - cell separation
KW  - subsurface microbiology
Y1  - 2011
U6  - https://doi.org/10.3389/fmicb.2011.00233
SN  - 1664-302X
VL  - 2
PB  - Frontiers Research Foundation
CY  - Lausanne
ER  - 
TY  - JOUR
A1  - Mulder, Christian
A1  - Boit, Alice
A1  - Bonkowski, Michael
A1  - De Ruiter, Peter C.
A1  - Mancinelli, Giorgio
A1  - Van der Heijden, Marcel G. A.
A1  - Van Wijnen, Harm J.
A1  - Vonk, J. Arie
A1  - Rutgers, Michiel
ED  - Woodward, G
T1  - A belowground perspective on dutch agroecosystems how soil organisms interact to support ecosystem services
JF  - Advances in ecological research
JF  - Advances in Ecological Research
N2  - 1. New patterns and trends in land use are becoming increasingly evident in Europe's heavily modified landscape and else whereas sustainable agriculture and nature restoration are developed as viable long-term alternatives to intensively farmed arable land. The success of these changes depends on how soil biodiversity and processes respond to changes in management. To improve our understanding of the community structure and ecosystem functioning of the soil biota, we analyzed abiotic variables across 200 sites, and biological variables across 170 sites in The Netherlands, one of the most intensively farmed countries. The data were derived from the Dutch Soil Quality Network (DSQN), a long-term monitoring framework designed to obtain ecological insight into soil types (STs) and ecosystem types (ETs).
 2. At the outset we describe STs and biota, and we estimate the contribution of various groups to the provision of ecosystem services. We focused on interactive effects of soil properties on community patterns and ecosystem functioning using food web models. Ecologists analyze soil food webs by means of mechanistic and statistical modelling, linking network structure to energy flow and elemental dynamics commonly based on allometric scaling.
 3. We also explored how predatory and metabolic processes are constrained by body size, diet and metabolic type, and how these constraints govern the interactions within and between trophic groups. In particular, we focused on how elemental fluxes determine the strengths of ecological interactions, and the resulting ecosystem services, in terms of sustenance of soil fertility.
 4. We discuss data mining, food web visualizations, and an appropriate categorical way to capture subtle interrelationships within the DSQN dataset. Sampled metazoans were used to provide an overview of below-ground processes and influences of land use. Unlike most studies to date we used data from the entire size spectrum, across 15 orders of magnitude, using body size as a continuous trait crucial for understanding ecological services.
 5. Multimodality in the frequency distributions of body size represents a performance filter that acts as a buffer to environmental change. Large differences in the body-size distributions across ETs and STs were evident. Most observed trends support the hypothesis that the direct influence of ecological stoichiometry on the soil biota as an independent predictor (e.g. in the form of nutrient to carbon ratios), and consequently on the allometric scaling, is more dominant than either ET or ST. This provides opportunities to develop a mechanistic and physiologically oriented model for the distribution of species' body sizes, where responses of invertebrates can be predicted.
 6. Our results highlight the different roles that organisms play in a number of key ecosystem services. Such a trait-based research has unique strengths in its rigorous formulation of fundamental scaling rules, as well as in its verifiability by empirical data. Nonetheless, it still has weaknesses that remain to be addressed, like the consequences of intraspecific size variation, the high degree of omnivory, and a possibly inaccurate assignment to trophic groups.
 7. Studying the extent to which nutrient levels influence multitrophic interactions and how different land-use regimes affect soil biodiversity is clearly a fruitful area for future research to develop predictive models for soil ecosystem services under different management regimes. No similar efforts have been attempted previously for soil food webs, and our dataset has the potential to test and further verify its usefulness at an unprecedented space scale.
Y1  - 2011
SN  - 978-0-12-374794-5
U6  - https://doi.org/10.1016/B978-0-12-374794-5.00005-5
SN  - 0065-2504
VL  - 44
IS  - 2
SP  - 277
EP  - 357
PB  - Elsevier
CY  - San Diego
ER  - 
TY  - JOUR
A1  - Senge, Mathias O.
A1  - Ryppa, Claudia
A1  - Fazekas, Marijana
A1  - Zawadzka, Monika
A1  - Dahms, Katja
T1  - 5,10-A2B2-Type meso-Substituted PorphyrinsuA Unique Class of Porphyrins with a Realigned Dipole Moment
JF  - Chemistry - a European journal
N2  - Current applications in porphyrin chemistry require the use of unsymmetrically substituted porphyrins. Many current industrial interests in optics and biomedicine require systems with either pushpull (electron-donating and -withdrawing groups) or amphiphilic systems (hydrophobic and hydrophilic groups). In this context we present the class of 5,10-A2B2-type porphyrins for which two different substituents are positioned in diagonally opposite meso positions. Thus, the intramolecular dipole moment in these tetrapyrroles is positioned along a beta-beta vector passing through two pyrrole rings. This is opposite to the situation of the frequently used 5,15-A2BC porphyrins for which the dipole moment is oriented along a mesomeso axis. We have elaborated syntheses of the 5,10-A2B2 porphyrins by using transition-metal-catalyzed transformations of 5,10-A2 porphyrins or direct substitutions reactions thereof; this gives the target molecules in 2277% overall yields. The compounds exhibit interesting structural, spectroscopic, and optical features and can serve as building blocks for new porphyrin arrays and applications.
KW  - macrocycles
KW  - nitrogen heterocycles
KW  - nonlinear optics
KW  - porphyrinoids
KW  - tetrapyrroles
Y1  - 2011
U6  - https://doi.org/10.1002/chem.201101934
SN  - 0947-6539
VL  - 17
IS  - 48
SP  - 13562
EP  - 13573
PB  - Wiley-VCH
CY  - Weinheim
ER  - 
TY  - JOUR
A1  - Awad, Duha Jawad
A1  - Schilde, Uwe
A1  - Strauch, Peter
T1  - 4,4 '-Bis(tert-butyl)-2,2 '-bipyridinedichlorometal(II) - Synthesis, structure and EPR spectroscopy
JF  - Inorganica chimica acta : the international inorganic chemistry journal
N2  - Due to the better solubility of the 4,4'-substituted bipyridine ligand a series of 4,4'0-bis(tert-butyl)-2,2'-bipyridinedichlorometal(II) complexes, [M(tbbpy)Cl(2)], with M = Cu, Ni, Zn, Pd, Pt was synthesised and characterised. The blue copper complex 4,4'-bis(tert-butyl)-2,2'-bipyridinedichlorocopper(II) was isolated in two different polymorphic forms, as prisms 1 with a solvent inclusion and solvent-free as needles 2. Both structures were determined by X-ray structure analysis. They crystallise in the monoclinic space group P2(1)/c with four molecules in the unit cell, but with different unit cells and packing motifs. Whereas in the prisms 1, with the unit cell parameters a = 12.1613(12), b = 10.6363(7), c = 16.3074(15) angstrom, eta = 94.446(8)degrees, the packing is dominated by intra-and intermolecular hydrogen bonds, in the needles 2, with a = 7.738(1), b = 18. 333(2), c = 13.291(3) angstrom, beta = 97.512(15)degrees, only intramolecular hydrogen bonds appear and the complex molecules are arranged in columns which are stabilised by p-p-stacking interactions. In both complexes the copper has a tetrahedrally distorted coordination sphere. These copper complexes were also studied by EPR spectroscopy in solution, as frozen glass and diamagnetically diluted powder with the analogue [Pd(tbbpy)Cl(2)] as host lattice.
KW  - 4,4 '-Bis(tert-butyl)-2,2 '-bipyridine
KW  - X-ray structure
KW  - EPR
KW  - Copper(II)
KW  - Transition metals
Y1  - 2011
U6  - https://doi.org/10.1016/j.ica.2010.08.035
SN  - 0020-1693
VL  - 365
IS  - 1
SP  - 127
EP  - 132
PB  - Elsevier
CY  - Lausanne
ER  - 
TY  - JOUR
A1  - Wiederkehr, Michael
A1  - Bousquet, Romain
A1  - Ziemann, Martin Andreas
A1  - Berger, Alfons
A1  - Schmid, Stefan M.
T1  - 3-D assessment of peak-metamorphic conditions by Raman spectroscopy of carbonaceous material an example from the margin of the Lepontine dome (Swiss Central Alps)
JF  - International journal of earth sciences
N2  - This study monitors regional changes in the crystallinity of carbonaceous matter (CM) by applying Micro-Raman spectroscopy to a total of 214 metasediment samples (largely so-called Bundnerschiefer) dominantly metamorphosed under blueschist- to amphibolite-facies conditions. They were collected within the northeastern margin of the Lepontine dome and easterly adjacent areas of the Swiss Central Alps. Three-dimensional mapping of isotemperature contours in map and profile views shows that the isotemperature contours associated with the Miocene Barrow-type Lepontine metamorphic event cut across refolded nappe contacts, both along and across strike within the northeastern margin of the Lepontine dome and adjacent areas. Further to the northeast, the isotemperature contours reflect temperatures reached during the Late Eocene subduction-related blueschist-facies event and/or during subsequent near-isothermal decompression; these contours appear folded by younger, large-scale post-nappe-stacking folds. A substantial jump in the recorded maximum temperatures across the tectonic contact between the frontal Adula nappe complex and surrounding metasediments indicates that this contact accommodated differential tectonic movement of the Adula nappe with respect to the enveloping Bundnerschiefer after maximum temperatures were reached within the northern Adula nappe, i.e. after Late Eocene time.
KW  - HP-metamorphism
KW  - Barrovian metamorphism
KW  - Graphitization
KW  - Metasediments
KW  - Micro-Raman spectroscopy
KW  - Central Alps
Y1  - 2011
U6  - https://doi.org/10.1007/s00531-010-0622-2
SN  - 1437-3254
VL  - 100
IS  - 5
SP  - 1029
EP  - 1063
PB  - Springer
CY  - New York
ER  - 
TY  - JOUR
A1  - Streich, Rita
A1  - Becken, Michael
A1  - Ritter, Oliver
T1  - 2.5D controlled-source EM modeling with general 3D source geometries
JF  - Geophysics
N2  - Most 2.5D controlled-source electromagnetic (CSEM) modeling algorithms presented to date explicitly consider only sources that are point dipoles oriented parallel or perpendicular to the direction of constant conductivity. This makes simulations of complex source geometries expensive, requiring separate evaluations of many point dipole fields, and thus limits the practical applicability of such schemes for simulating and interpreting field data. We present a novel 2.5D CSEM modeling scheme that overcomes this limitation and permits efficient simulations of sources with general shape and orientation by evaluating fields for the entire source at once. We accommodate general sources by using a secondary field approach, in which primary fields are computed for the general source and a 1D background conductivity model. To carry out the required Fourier transforms between space and wavenumber domain using the same fast cosine and sine transform filters as in conventional algorithms, we split the primary and secondary fields into their symmetric and antisymmetric parts. For complex 3D source geometries, this approach is significantly more efficient than previous 2.5D algorithms. Our finite-difference algorithm also includes novel approaches for divergence correction at low frequencies and EM field interpolation across conductivity discontinuities. We describe the modeling scheme and demonstrate its accuracy and efficiency by comparisons of 2.5D-simulated data with 1D and 3D results.
Y1  - 2011
U6  - https://doi.org/10.1190/GEO2011-0111.1
SN  - 0016-8033
VL  - 76
IS  - 6
SP  - F387
EP  - F393
PB  - Society of Exploration Geophysicists
CY  - Tulsa
ER  - 
TY  - JOUR
A1  - Schreiber, Ulrike
A1  - Hosemann, Benjamin
A1  - Beuermann, Sabine
T1  - 1H,1H,2H,2H-Perfluorodecyl-Acrylate-Containing block copolymers from ARGET ATRP
JF  - Macromolecular chemistry and physics
N2  - Block copolymers of 1H,1H,2H,2H-perfluorodecyl acrylate (AC8) were obtained from ARGET ATRP. To obtain block copolymers of low dispersity the PAC8 block was synthesized in anisole with a CuBr(2)/PMDETA catalyst in the presence of tin(II) 2-ethylhexanoate as a reducing agent. The PAC8 block was subsequently used as macroinitiator for copolymerization with butyl and tert-butyl acrylate carried out in scCO(2). To achieve catalyst solubility in CO(2) two fluorinated ligands were employed. The formation of block copolymers was confirmed by size exclusion chromatography and DSC.
KW  - atom transfer radical polymerization (ATRP)
KW  - block copolymers
KW  - fluoropolymers
KW  - supercritical carbon dioxide
Y1  - 2011
U6  - https://doi.org/10.1002/macp.201000307
SN  - 1022-1352
VL  - 212
IS  - 2
SP  - 168
EP  - 179
PB  - Wiley-VCH
CY  - Weinheim
ER  -