@article{HaeringRegerEwaldetal.2013, author = {H{\"a}ring, Tim and Reger, Birgit and Ewald, J{\"o}rg and Hothorn, Torsten and Schr{\"o}der-Esselbach, Boris}, title = {Predicting Ellenberg's soil moisture indicator value in the Bavarian Alps using additive georegression}, series = {Applied vegetation science : official organ of the International Association for Vegetation Science}, volume = {16}, journal = {Applied vegetation science : official organ of the International Association for Vegetation Science}, number = {1}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1402-2001}, doi = {10.1111/j.1654-109X.2012.01210.x}, pages = {110 -- 121}, year = {2013}, abstract = {Questions Can forest site characteristics be used to predict Ellenberg indicator values for soil moisture? Which is the best averaged mean value for modelling? Does the distribution of soil moisture depend on spatial information? Location Bavarian Alps, Germany. Methods We used topographic, climatic and edaphic variables to model the mean soil moisture value as found on 1505 forest plots from the database WINALPecobase. All predictor variables were taken from area-wide geodata layers so that the model can be applied to some 250 000 ha of forest in the target region. We adopted methods developed in species distribution modelling to regionalize Ellenberg indicator values. Therefore, we use the additive georegression framework for spatial prediction of Ellenberg values with the R-library mboost, which is a feasible way to consider environmental effects, spatial autocorrelation, predictor interactions and non-stationarity simultaneously in our data. The framework is much more flexible than established statistical and machine-learning models in species distribution modelling. We estimated five different mboost models reflecting different model structures on 50 bootstrap samples in each case. Results Median R2 values calculated on independent test samples ranged from 0.28 to 0.45. Our results show a significant influence of interactions and non-stationarity in addition to environmental covariates. Unweighted mean indicator values can be modelled better than abundance-weighted values, and the consideration of bryophytes did not improve model performance. Partial response curves indicate meaningful dependencies between moisture indicator values and environmental covariates. However, mean indicator values <4.5 and >6.0 could not be modelled correctly, since they were poorly represented in our calibration sample. The final map represents high-resolution information of site hydrological conditions. Conclusions Indicator values offer an effect-oriented alternative to physically-based hydrological models to predict water-related site conditions, even at landscape scale. The presented approach is applicable to all kinds of Ellenberg indicator values. Therefore, it is a significant step towards a new generation of models of forest site types and potential natural vegetation.}, language = {en} } @article{WessigMatthes2013, author = {Wessig, Pablo and Matthes, Annika}, title = {Photochemical synthesis and properties of 1,6- and 1,8-Naphthalenophanes}, series = {Molecules}, volume = {18}, journal = {Molecules}, number = {1}, publisher = {MDPI}, address = {Basel}, issn = {1420-3049}, doi = {10.3390/molecules18011314}, pages = {1314 -- 1324}, year = {2013}, abstract = {Various 1,6- and 1,8-naphthalenophanes were synthesized by using the Photo-Dehydro-Diels-Alder (PDDA) reaction of bis-ynones. These compounds are easily accessible from omega-(3-iodophenyl)carboxylic acids in three steps. The obtained naphthalenophanes are axially chiral and the activation barrier for the atropisomerization could be determined in some cases by means of dynamic NMR (DNMR) and/or dynamic HPLC (DHPLC) experiments.}, language = {en} } @article{JavanainenHammarenMonticellietal.2013, author = {Javanainen, Matti and Hammaren, Henrik and Monticelli, Luca and Jeon, Jae-Hyung and Miettinen, Markus S. and Martinez-Seara, Hector and Metzler, Ralf and Vattulainen, Ilpo}, title = {Anomalous and normal diffusion of proteins and lipids in crowded lipid membranes}, series = {Faraday discussions}, volume = {161}, journal = {Faraday discussions}, number = {1}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1359-6640}, doi = {10.1039/c2fd20085f}, pages = {397 -- 417}, year = {2013}, abstract = {Lateral diffusion plays a crucial role in numerous processes that take place in cell membranes, yet it is quite poorly understood in native membranes characterized by, e.g., domain formation and large concentration of proteins. In this article, we use atomistic and coarse-grained simulations to consider how packing of membranes and crowding with proteins affect the lateral dynamics of lipids and membrane proteins. We find that both packing and protein crowding have a profound effect on lateral diffusion, slowing it down. Anomalous diffusion is observed to be an inherent property in both protein-free and protein-rich membranes, and the time scales of anomalous diffusion and the exponent associated with anomalous diffusion are found to strongly depend on packing and crowding. Crowding with proteins also has a striking effect on the decay rate of dynamical correlations associated with lateral single-particle motion, as the transition from anomalous to normal diffusion is found to take place at macroscopic time scales: while in protein-poor conditions normal diffusion is typically observed in hundreds of nanoseconds, in protein-rich conditions the onset of normal diffusion is tens of microseconds, and in the most crowded systems as large as milliseconds. The computational challenge which results from these time scales is not easy to deal with, not even in coarse-grained simulations. We also briefly discuss the physical limits of protein motion. Our results suggest that protein concentration is anything but constant in the plane of cell membranes. Instead, it is strongly dependent on proteins' preference for aggregation.}, language = {en} } @article{SchnabelAsendorpf2013, author = {Schnabel, Konrad and Asendorpf, Jens B.}, title = {Free associations as a measure of stable implicit attitudes}, series = {European journal of personality}, volume = {27}, journal = {European journal of personality}, number = {1}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {0890-2070}, doi = {10.1002/per.1890}, pages = {39 -- 50}, year = {2013}, abstract = {Two studies explored the psychometric properties of free association methods for the assessment of attitudes. Even though the stability of the actual associations was rather low, psychometric properties of the valence estimates of the free associations were highly satisfactory. Valence estimates of associations were provided by independent judges who rated the valence of the associations that were generated by participants. Valence estimates of the associations showed satisfactory internal consistencies and retest reliabilities over three weeks. Additionally, valence estimates of the associations were significantly and independently related to both explicit self-reported attitudes and implicit attitudes that were assessed with an OssiWessi Implicit Association Test. Free association methods represent a useful complement to the family of implicit measures and are especially suitable for the assessment of non-relative attitudes towards single attitude objects.}, language = {en} } @article{BadalyanNeumannSchaalLeimkuehleretal.2013, author = {Badalyan, Artavazd and Neumann-Schaal, Meina and Leimk{\"u}hler, Silke and Wollenberger, Ursula}, title = {A Biosensor for aromatic aldehydes comprising the mediator dependent PaoABC-Aldehyde oxidoreductase}, series = {Electroanalysis : an international journal devoted to fundamental and practical aspects of electroanalysis}, volume = {25}, journal = {Electroanalysis : an international journal devoted to fundamental and practical aspects of electroanalysis}, number = {1}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1040-0397}, doi = {10.1002/elan.201200362}, pages = {101 -- 108}, year = {2013}, abstract = {A novel aldehyde oxidoreductase (PaoABC) from Escherichia coli was utilized for the development of an oxygen insensitive biosensor for benzaldehyde. The enzyme was immobilized in polyvinyl alcohol and currents were measured for aldehyde oxidation with different one and two electron mediators with the highest sensitivity for benzaldehyde in the presence of hexacyanoferrate(III). The benzaldehyde biosensor was optimized with respect to mediator concentration, enzyme loading and pH using potassium hexacyanoferrate(III). The linear measuring range is between 0.5200 mu M benzaldehyde. In correspondence with the substrate selectivity of the enzyme in solution the biosensor revealed a preference for aromatic aldehydes and less effective conversion of aliphatic aldehydes. The biosensor is oxygen independent, which is a particularly attractive feature for application. The biosensor can be applied to detect contaminations with benzaldehyde in solvents such as benzyl alcohol, where traces of benzaldehyde in benzyl alcohol down to 0.0042?\% can be detected.}, language = {en} } @article{SliusarenkoSurkovGoncharetal.2013, author = {Sliusarenko, O. Yu. and Surkov, D. A. and Gonchar, V. Yu. and Chechkin, Aleksei V.}, title = {Stationary states in bistable system driven by Levy noise}, series = {European physical journal special topics}, volume = {216}, journal = {European physical journal special topics}, number = {1}, publisher = {Springer}, address = {Heidelberg}, issn = {1951-6355}, doi = {10.1140/epjst/e2013-01736-0}, pages = {133 -- 138}, year = {2013}, abstract = {We study the properties of the probability density function (PDF) of a bistable system driven by heavy tailed white symmetric L,vy noise. The shape of the stationary PDF is found analytically for the particular case of the L,vy index alpha = 1 (Cauchy noise). For an arbitrary L,vy index we employ numerical methods based on the solution of the stochastic Langevin equation and space fractional kinetic equation. In contrast to the bistable system driven by Gaussian noise, in the L,vy case, the positions of maxima of the stationary PDF do not coincide with the positions of minima of the bistable potential. We provide a detailed study of the distance between the maxima and the minima as a function of the depth of the potential and the L,vy noise parameters.}, language = {en} } @article{vonCzapiewskiKreyeMutluetal.2013, author = {von Czapiewski, Marc and Kreye, Oliver and Mutlu, Hatice and Meier, Michael A. R.}, title = {Cross-metathesis versus palladium-catalyzed C-H activation acetoxy ester functionalization of unsaturated fatty acid methyl esters}, series = {European journal of lipid science and technology}, volume = {115}, journal = {European journal of lipid science and technology}, number = {1}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {1438-7697}, doi = {10.1002/ejlt.201200196}, pages = {76 -- 85}, year = {2013}, abstract = {Two synthetic approaches to functionalize plant oil derived platform chemicals were investigated. For this purpose, methyl 10-undecenoate, which can be obtained by pyrolysis of castor oil, was used in olefin cross-metathesis under neat conditions forming an unsaturated a,?-acetoxy ester. A catalyst screening with 11 different ruthenium-based metathesis catalysts was performed, revealing that well-suited catalysts allow for full conversion and very good cross-metathesis selectivity at a loading of only 0.5?mol\%. An alternative possibility to the aforementioned synthetic method is a palladium-catalyzed reaction of methyl 10-undecenoate with acetic acid in the presence of dimethyl sulfoxide. Here, the formation of linear and branched unsaturated acetoxy esters as well as a ketone was observed. The conversion as well as the selectivity of this procedure was studied under different reaction conditions and compared to the cross-metathesis results. Based on the successful functionalization of methyl 10-undecenoate, methyl oleate was investigated in this palladium-catalyzed C?H activation reaction. Due to the lower reactivity of the internal double bond the desired acetoxy ester was only obtained in moderate conversion in this case. In summary, this study clearly shows that palladium-catalyzed functionalization of unsaturated fatty compounds via C?H activation is an attractive alternative to the well-established olefin cross-metathesis procedure.}, language = {en} } @article{HerderUtechtManickeetal.2013, author = {Herder, Martin and Utecht, Manuel Martin and Manicke, Nicole and Grubert, Lutz and P{\"a}tzel, Michael and Saalfrank, Peter and Hecht, Stefan}, title = {Switching with orthogonal stimuli electrochemical ring-closure and photochemical ring-opening of bis(thiazolyl) maleimides}, series = {Chemical science}, volume = {4}, journal = {Chemical science}, number = {3}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2041-6520}, doi = {10.1039/c2sc21681g}, pages = {1028 -- 1040}, year = {2013}, abstract = {The photochemistry as well as electrochemistry of novel donor-acceptor bis(morpholinothiazolyl)maleimides has been investigated. Proper substitution of these diarylethene-type molecular switches leads to the unique situation in which their ring-closure can only be accomplished electrochemically, while ring-opening can only be achieved photochemically. Hence, these switches operate with orthogonal stimuli, i.e. redox potential and light, respectively. The switch system could be optimized by introducing trifluoromethyl groups at the reactive carbon atoms in order to avoid by-product formation during oxidative ring closure. Both photochemical and electrochemical pathways were investigated for methylated, trifluoromethylated, and nonsymmetrical bis(morpholinothiazolyl) maleimides as well as the bis(morpholinothiazolyl) cyclopentene reference compound. With the aid of the nonsymmetrical "mixed" derivative, the mechanism of electrochemically driven ring closure could be elucidated and seems to proceed via a dicationic intermediate generated by two-fold oxidation. All experimental work has been complemented by density functional theory that provides detailed insights into the thermodynamics of the ring-open and closed forms, the nature of their excited states, and the reactivity of their neutral as well as ionized species in different electronic configurations. The particular diarylethene systems described herein could serve in multifunctional (logic) devices operated by different stimuli (inputs) and may pave the way to converting light into electrical energy via photoinduced "pumping" of redox-active meta-stable states.}, language = {en} } @article{LiBabuTurneretal.2013, author = {Li, Hongguang and Babu, Sukumaran Santhosh and Turner, Sarah T. and Neher, Dieter and Hollamby, Martin J. and Seki, Tomohiro and Yagai, Shiki and Deguchi, Yonekazu and M{\"o}hwald, Helmuth and Nakanishi, Takashi}, title = {Alkylated-C-60 based soft materials regulation of self-assembly and optoelectronic properties by chain branching}, series = {Journal of materials chemistry : C, Materials for optical and electronic devices}, volume = {1}, journal = {Journal of materials chemistry : C, Materials for optical and electronic devices}, number = {10}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7526}, doi = {10.1039/c3tc00066d}, pages = {1943 -- 1951}, year = {2013}, abstract = {Derivatization of fullerene (C-60) with branched aliphatic chains softens C-60-based materials and enables the formation of thermotropic liquid crystals and room temperature nonvolatile liquids. This work demonstrates that by carefully tuning parameters such as type, number and substituent position of the branched chains, liquid crystalline C-60 materials with mesophase temperatures suited for photovoltaic cell fabrication and room temperature nonvolatile liquid fullerenes with tunable viscosity can be obtained. In particular, compound 1, with branched chains, exhibits a smectic liquid crystalline phase extending from 84 degrees C to room temperature. Analysis of bulk heterojunction (BHJ) organic solar cells with a ca. 100 nm active layer of compound 1 and poly(3-hexylthiophene) (P3HT) as an electron acceptor and an electron donor, respectively, reveals an improved performance (power conversion efficiency, PCE: 1.6 + 0.1\%) in comparison with another compound, 10 (PCE: 0.5 + 0.1\%). The latter, in contrast to 1, carries linear aliphatic chains and thus forms a highly ordered solid lamellar phase at room temperature. The solar cell performance of 1 blended with P3HT approaches that of PCBM/P3HT for the same active layer thickness. This indicates that C-60 derivatives bearing branched tails are a promising class of electron acceptors in soft (flexible) photovoltaic devices.}, language = {en} } @article{TomczykSobolewskaNagyetal.2013, author = {Tomczyk, Jaroslaw and Sobolewska, Anna and Nagy, Zsuzsanna T. and Guillon, Daniel and Donnio, Bertrand and Stumpe, Joachim}, title = {Photo- and thermal-processing of azobenzene-containing star-shaped liquid crystals}, series = {Journal of materials chemistry : C, Materials for optical and electronic devices}, volume = {1}, journal = {Journal of materials chemistry : C, Materials for optical and electronic devices}, number = {5}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {2050-7526}, doi = {10.1039/c2tc00627h}, pages = {924 -- 932}, year = {2013}, abstract = {A new class of star-shaped, liquid crystalline, low-molecular weight compounds functionalized with photochromic azobenzene and mesogenic groups was investigated in terms of light-induced anisotropy. The behaviour of the materials under the action of light with simultaneous or subsequent thermal treatment was examined with respect to the induction of anisotropy. The unconventional UV light treatment prior to the irradiation with linearly polarized light allowed induction of very high values of anisotropy (D = 0.77) at room temperature. Moreover, the simultaneous action of light and temperature led to the induction of higher values of dichroism in comparison with anisotropy generated by the standard procedure. Subsequent thermal treatment led to dewetting and the formation of 3D macroscopic stripe- and dome-like structures for one of the investigated compounds. Despite photoinduction of anisotropy by a single beam, the formation of polarization and surface relief gratings by two-beam interference pattern was also investigated.}, language = {en} }