TY - JOUR A1 - Beerenwinkel, Niko A1 - Sing, Tobias A1 - Lengauer, Thomas A1 - Rahnenfuhrer, Joerg A1 - Roomp, Kirsten A1 - Savenkov, Igor A1 - Fischer, Roman A1 - Hoffmann, Daniel A1 - Selbig, Joachim A1 - Korn, Klaus A1 - Walter, Hauke A1 - Berg, Thomas A1 - Braun, Patrick A1 - Faetkenheuer, Gerd A1 - Oette, Mark A1 - Rockstroh, Juergen A1 - Kupfer, Bernd A1 - Kaiser, Rolf A1 - Daeumer, Martin T1 - Computational methods for the design of effective therapies against drug resistant HIV strains N2 - The development of drug resistance is a major obstacle to successful treatment of HIV infection. The extraordinary replication dynamics of HIV facilitates its escape from selective pressure exerted by the human immune system and by combination drug therapy. We have developed several computational methods whose combined use can support the design of optimal antiretroviral therapies based on viral genomic data Y1 - 2005 ER - TY - JOUR A1 - Cordes, Frank A1 - Kaiser, Rolf A1 - Selbig, Joachim T1 - Bioinformatics approach to predicting HIV drug resistance N2 - The emergence of drug resistance remains one of the most challenging issues in the treatment of HIV-1 infection. The extreme replication dynamics of HIV facilitates its escape from the selective pressure exerted by the human immune system and by the applied combination drug therapy. This article reviews computational methods whose combined use can support the design of optimal antiretroviral therapies based on viral genotypic and phenotypic data. Genotypic assays are based on the analysis of mutations associated with reduced drug susceptibility, but are difficult to interpret due to the numerous mutations and mutational patterns that confer drug resistance. Phenotypic resistance or susceptibility can be experimentally evaluated by measuring the inhibition of the viral replication in cell culture assays. However, this procedure is expensive and time consuming Y1 - 2006 UR - http://www.expert-reviews.com/loi/erm U6 - https://doi.org/10.1586/14737159.6.2.207 SN - 1473-7159 ER - TY - JOUR A1 - Simons, Nadja K. A1 - Lewinsohn, Thomas A1 - Bluethgen, Nico A1 - Buscot, Francois A1 - Boch, Steffen A1 - Daniel, Rolf A1 - Gossner, Martin M. A1 - Jung, Kirsten A1 - Kaiser, Kristin A1 - Müller, Jörg A1 - Prati, Daniel A1 - Renner, Swen C. A1 - Socher, Stephanie A. A1 - Sonnemann, Ilja A1 - Weiner, Christiane N. A1 - Werner, Michael A1 - Wubet, Tesfaye A1 - Wurst, Susanne A1 - Weisser, Wolfgang W. T1 - Contrasting effects of grassland management modes on species-abundance distributions of multiple groups JF - Agriculture, ecosystems & environment : an international journal for scientific research on the relationship of agriculture and food production to the biosphere N2 - Intensive land use is a major cause of biodiversity loss, but most studies comparing the response of multiple taxa rely on simple diversity measures while analyses of other community attributes are only recently gaining attention. Species-abundance distributions (SADs) are a community attribute that can be used to study changes in the overall abundance structure of species groups, and whether these changes are driven by abundant or rare species. We evaluated the effect of grassland management intensity for three land-use modes (fertilization, mowing, grazing) and their combination on species richness and SADs for three belowground (arbuscular mycorrhizal fungi, prokaryotes and insect larvae) and seven aboveground groups (vascular plants, bryophytes and lichens; arthropod herbivores; arthropod pollinators; bats and birds). Three descriptors of SADs were evaluated: general shape (abundance decay rate), proportion of rare species (rarity) and proportional abundance of the commonest species (dominance). Across groups, taxonomic richness was largely unaffected by land-use intensity and only decreased with increasing mowing intensity. Of the three SAD descriptors, abundance decay rate became steeper with increasing combined land-use intensity across groups. This reflected a decrease in rarity among plants, herbivores and vertebrates. Effects of fertilization on the three descriptors were similar to the combined land-use intensity effects. Mowing intensity only affected the SAD descriptors of insect larvae and vertebrates, while grazing intensity produced a range of effects on different descriptors in distinct groups. Overall, belowground groups had more even abundance distribtitions than aboveground groups. Strong differences among aboveground groups and between above- and belowground groups indicate that no single taxonomic group can serve as an indicator for effects in other groups. In the past, the use of SADs has been hampered by concerns over theoretical models underlying specific forms of SADs. Our study shows that SAD descriptors that are not connected to a particular model are suitable to assess the effect of land use on community structure. KW - Biodiversity KW - Cutting frequency KW - Management intensity KW - Rank-abundance KW - Species loss KW - Rarity Y1 - 2017 U6 - https://doi.org/10.1016/j.agee.2016.12.022 SN - 0167-8809 SN - 1873-2305 VL - 237 SP - 143 EP - 153 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schall, Peter A1 - Gossner, Martin M. A1 - Heinrichs, Steffi A1 - Fischer, Markus A1 - Boch, Steffen A1 - Prati, Daniel A1 - Jung, Kirsten A1 - Baumgartner, Vanessa A1 - Blaser, Stefan A1 - Böhm, Stefan A1 - Buscot, Francois A1 - Daniel, Rolf A1 - Goldmann, Kezia A1 - Kaiser, Kristin A1 - Kahl, Tiemo A1 - Lange, Markus A1 - Müller, Jörg Hans A1 - Overmann, Jörg A1 - Renner, Swen C. A1 - Schulze, Ernst-Detlef A1 - Sikorski, Johannes A1 - Tschapka, Marco A1 - Türke, Manfred A1 - Weisser, Wolfgang W. A1 - Wemheuer, Bernd A1 - Wubet, Tesfaye A1 - Ammer, Christian T1 - The impact of even-aged and uneven-aged forest management on regional biodiversity of multiple taxa in European beech forests JF - Journal of applied ecology : an official journal of the British Ecological Society N2 - 1. For managed temperate forests, conservationists and policymakers favour fine-grained uneven-aged (UEA) management over more traditional coarse-grained even-aged (EA) management, based on the assumption that within-stand habitat heterogeneity enhances biodiversity. There is, however, little empirical evidence to support this assumption. We investigated for the first time how differently grained forest management systems affect the biodiversity of multiple above- and below-ground taxa across spatial scales. 2. We sampled 15 taxa of animals, plants, fungi and bacteria within the largest contiguous beech forest landscape of Germany and classified them into functional groups. Selected forest stands have been managed for more than a century at different spatial grains. The EA (coarse-grained management) and UEA (fine-grained) forests are comparable in spatial arrangement, climate and soil conditions. These were compared to forests of a nearby national park that have been unmanaged for at least 20years. We used diversity accumulation curves to compare -diversity for Hill numbers D-0 (species richness), D-1 (Shannon diversity) and D-2 (Simpson diversity) between the management systems. Beta diversity was quantified as multiple-site dissimilarity. 3. Gamma diversity was higher in EA than in UEA forests for at least one of the three Hill numbers for six taxa (up to 77%), while eight showed no difference. Only bacteria showed the opposite pattern. Higher -diversity in EA forests was also found for forest specialists and saproxylic beetles. 4. Between-stand -diversity was higher in EA than in UEA forests for one-third (all species) and half (forest specialists) of all taxa, driven by environmental heterogeneity between age-classes, while -diversity showed no directional response across taxa or for forest specialists. 5. Synthesis and applications. Comparing EA and uneven-aged forest management in Central European beech forests, our results show that a mosaic of different age-classes is more important for regional biodiversity than high within-stand heterogeneity. We suggest reconsidering the current trend of replacing even-aged management in temperate forests. Instead, the variability of stages and stand structures should be increased to promote landscape-scale biodiversity. KW - beta diversity KW - forest specialists KW - gamma diversity KW - heterogeneity KW - Hill numbers KW - saproxylic beetles KW - spatial grain KW - species accumulation curve KW - species richness KW - species turnover Y1 - 2017 U6 - https://doi.org/10.1111/1365-2664.12950 SN - 0021-8901 SN - 1365-2664 VL - 55 IS - 1 SP - 267 EP - 278 PB - Wiley CY - Hoboken ER - TY - JOUR A1 - Westbrook, N. A1 - Henkel, Carsten A1 - Westbrook, C. I. A1 - Landragin, A. A1 - Labeyrie, G. A1 - Cognet, L. A1 - Savalli, V. A1 - Horvath, G. A1 - Aspect, Alain A1 - Moelmer, Klaus A1 - Courtois, J.-Y. A1 - Phillips, W. D. A1 - Kaiser, Rolf A1 - Bagnato, V. T1 - New physics with evanescent wave atomic mirrors : the van der Waals force and atomic diffraction N2 - After a brief introduction to the field of atom optics and to atomic mirrors, we present experimental results obtained in our group during the last two years while studying the reflection of rubidium atoms by an evanescent wave. These involve the first measurement of the van der Waals force between an atom in its ground state and a dielectric wall, as well as the demonstration of a reflection grating for atoms at normal incidence. We also consider the influence of quantum reflection and tunnelling phenomena. Further studies using the atomic mirror as a probe of the van der Waals interaction, and of very small surface roughness are briefly discussed. Y1 - 1998 ER - TY - JOUR A1 - Kubin, Markus A1 - Kern, Jan A1 - Gul, Sheraz A1 - Kroll, Thomas A1 - Chatterjee, Ruchira A1 - Loechel, Heike A1 - Fuller, Franklin D. A1 - Sierra, Raymond G. A1 - Quevedo, Wilson A1 - Weniger, Christian A1 - Rehanek, Jens A1 - Firsov, Anatoly A1 - Laksmono, Hartawan A1 - Weninger, Clemens A1 - Alonso-Mori, Roberto A1 - Nordlund, Dennis L. A1 - Lassalle-Kaiser, Benedikt A1 - Glownia, James M. A1 - Krzywinski, Jacek A1 - Moeller, Stefan A1 - Turner, Joshua J. A1 - Minitti, Michael P. A1 - Dakovski, Georgi L. A1 - Koroidov, Sergey A1 - Kawde, Anurag A1 - Kanady, Jacob S. A1 - Tsui, Emily Y. A1 - Suseno, Sandy A1 - Han, Zhiji A1 - Hill, Ethan A1 - Taguchi, Taketo A1 - Borovik, Andrew S. A1 - Agapie, Theodor A1 - Messinger, Johannes A1 - Erko, Alexei A1 - Föhlisch, Alexander A1 - Bergmann, Uwe A1 - Mitzner, Rolf A1 - Yachandra, Vittal K. A1 - Yano, Junko A1 - Wernet, Philippe T1 - Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers JF - Structural dynamics N2 - X-ray absorption spectroscopy at the L-edge of 3d transition metals provides unique information on the local metal charge and spin states by directly probing 3d-derived molecular orbitals through 2p-3d transitions. However, this soft x-ray technique has been rarely used at synchrotron facilities for mechanistic studies of metalloenzymes due to the difficulties of x-ray-induced sample damage and strong background signals from light elements that can dominate the low metal signal. Here, we combine femtosecond soft x-ray pulses from a free-electron laser with a novel x-ray fluorescence-yield spectrometer to overcome these difficulties. We present L-edge absorption spectra of inorganic high-valent Mn complexes (Mn similar to 6-15 mmol/l) with no visible effects of radiation damage. We also present the first L-edge absorption spectra of the oxygen evolving complex (Mn4CaO5) in Photosystem II (Mn < 1 mmol/l) at room temperature, measured under similar conditions. Our approach opens new ways to study metalloenzymes under functional conditions. (C) 2017 Author(s). Y1 - 2017 U6 - https://doi.org/10.1063/1.4986627 SN - 2329-7778 VL - 4 PB - American Institute of Physics CY - Melville ER - TY - JOUR A1 - Kroll, Thomas A1 - Kern, Jan A1 - Kubin, Markus A1 - Ratner, Daniel A1 - Gul, Sheraz A1 - Fuller, Franklin D. A1 - Löchel, Heike A1 - Krzywinski, Jacek A1 - Lutman, Alberto A1 - Ding, Yuantao A1 - Dakovski, Georgi L. A1 - Moeller, Stefan A1 - Turner, Joshua J. A1 - Alonso-Mori, Roberto A1 - Nordlund, Dennis L. A1 - Rehanek, Jens A1 - Weniger, Christian A1 - Firsov, Alexander A1 - Brzhezinskaya, Maria A1 - Chatterjee, Ruchira A1 - Lassalle-Kaiser, Benedikt A1 - Sierra, Raymond G. A1 - Laksmono, Hartawan A1 - Hill, Ethan A1 - Borovik, Andrew S. A1 - Erko, Alexei A1 - Föhlisch, Alexander A1 - Mitzner, Rolf A1 - Yachandra, Vittal K. A1 - Yano, Junko A1 - Wernet, Philippe A1 - Bergmann, Uwe T1 - X-ray absorption spectroscopy using a self-seeded soft X-ray free-electron laser JF - Optics express : the international electronic journal of optics N2 - X-ray free electron lasers (XFELs) enable unprecedented new ways to study the electronic structure and dynamics of transition metal systems. L-edge absorption spectroscopy is a powerful technique for such studies and the feasibility of this method at XFELs for solutions and solids has been demonstrated. However, the required x-ray bandwidth is an order of magnitude narrower than that of self-amplified spontaneous emission (SASE), and additional monochromatization is needed. Here we compare L-edge x-ray absorption spectroscopy (XAS) of a prototypical transition metal system based on monochromatizing the SASE radiation of the linac coherent light source (LCLS) with a new technique based on self-seeding of LCLS. We demonstrate how L-edge XAS can be performed using the self-seeding scheme without the need of an additional beam line monochromator. We show how the spectral shape and pulse energy depend on the undulator setup and how this affects the x-ray spectroscopy measurements. (C) 2016 Optical Society of America Y1 - 2016 U6 - https://doi.org/10.1364/OE.24.022469 SN - 1094-4087 VL - 24 SP - 22469 EP - 22480 PB - Optical Society of America CY - Washington ER - TY - JOUR A1 - Mitzner, Rolf A1 - Rehanek, Jens A1 - Kern, Jan A1 - Gul, Sheraz A1 - Hattne, Johan A1 - Taguchi, Taketo A1 - Alonso-Mori, Roberto A1 - Tran, Rosalie A1 - Weniger, Christian A1 - Schröder, Henning A1 - Quevedo, Wilson A1 - Laksmono, Hartawan A1 - Sierra, Raymond G. A1 - Han, Guangye A1 - Lassalle-Kaiser, Benedikt A1 - Koroidov, Sergey A1 - Kubicek, Katharina A1 - Schreck, Simon A1 - Kunnus, Kristjan A1 - Brzhezinskaya, Maria A1 - Firsov, Alexander A1 - Minitti, Michael P. A1 - Turner, Joshua J. A1 - Möller, Stefan A1 - Sauter, Nicholas K. A1 - Bogan, Michael J. A1 - Nordlund, Dennis A1 - Schlotter, William F. A1 - Messinger, Johannes A1 - Borovik, Andrew S. A1 - Techert, Simone A1 - de Groot, Frank M. F. A1 - Föhlisch, Alexander A1 - Erko, Alexei A1 - Bergmann, Uwe A1 - Yachandra, Vittal K. A1 - Wernet, Philippe A1 - Yano, Junko T1 - L-edge x-ray absorption spectroscopy of dilute systems relevant to metalloproteins using an X-ray free-electron laser JF - The journal of physical chemistry letters N2 - L-edge spectroscopy of 3d transition metals provides important electronic structure information and has been used in many fields. However, the use of this method for studying dilute aqueous systems, such as metalloenzymes, has not been prevalent because of severe radiation damage and the lack of suitable detection systems. Here we present spectra from a dilute Mn aqueous solution using a high-transmission zone-plate spectrometer at the Linac Coherent Light Source (LCLS). The spectrometer has been optimized for discriminating the Mn L-edge signal from the overwhelming 0 K-edge background that arises from water and protein itself, and the ultrashort LCLS X-ray pulses can outrun X-ray induced damage. We show that the deviations of the partial-fluorescence yield-detected spectra from the true absorption can be well modeled using the state-dependence of the fluorescence yield, and discuss implications for the application of our concept to biological samples. Y1 - 2013 U6 - https://doi.org/10.1021/jz401837f SN - 1948-7185 VL - 4 IS - 21 SP - 3641 EP - 3647 PB - American Chemical Society CY - Washington ER -