2012

K. Binder, B. J. Block, P. Virnau, A. Tröster, "Beyond the Van Der Waals loop: What can be learned from simulating Lennard-Jones fluids inside the region of phase coexistence", American Journal of Physics 2012, 80(12), 1099-1109.

B. J. Block, M. Lukacova-Medvid'ova, P. Virnau, L. Yelash, "Accelerated GPU simulation of compressible flow by the discontinuous evolution Galerkin method", European Physical Journal-Special Topics 2012, 210(1), 119-132.

B. J. Block, T. Preis, "Computer simulations of the Ising Model on Graphics Processing Units", European Physical Journal-Special Topics 2012, 210(1), 133-145.

B. J. Block, "Platform independent, efficient implementation of the Ising Model on parallel acceleration devices", Source: European Physical Journal-Special Topics 2012, 210(1), 147-157C. Schüll, L. Nuhn, C. Mangold, E. Christ , R. Zentel, H. Frey, "Linear-Hyperbranched Graft-Copolymers via Grafting-to Strategy Based on Hyperbranched Dendron Analogues and Reactive Ester Polymers" Macromolecules, 2012, 45, 5901-5910.

D. R. Kattnig, T. Bund, J. M. Boggs, G. Harauz, D. Hinderberger, "Lateral self-assembly of 18.5-kDa myelin basic protein (MBP) charge component-C1 on membranes", Biochimica et Biophysica Acta-Biomembranes 2012, 1818(11), 2636-2647.

K. Hüttinger, C. Förster, T. Bund, D. Hinderberger, K. Heinze, "Stereochemical Consequences of Oxygen Atom Transfer and Electron Transfer in Imido/Oxido Molybdenum(IV, V, VI) Complexes with Two Unsymmetric Bidentate Ligands", Inorganic Chemistry 2012, 51(7), 4180-4192.

W. Elbert, B. Weber, S. Burrows, J. Steinkamp, B. Büdel, M. O. Andreae, U. Pöschl, "Contribution of cryptogamic covers to the global cycles of carbon and nitrogen", NATURE Geoscience 2012, 5(7), 459-462.

E. J. Harris, B. Sinha, S. Foley, J. N. Crowley, S. Borrmann, P. Hoppe, "Sulfur isotope fractionation during heterogeneous oxidation of SO2 by mineral dust", Atmospheric Chemistry and Physics, 2012, 12, 4867-4884.

E. J. Harris, B. Sinha, P. Hoppe, S. Foley, S. Borrmann, "Fractionation of sulfur isotopes during heterogeneous oxidation of SO2 on sea salt aerosol: A new tool to investigate non-sea salt sulfate production in the marine boundary layer", Atmospheric Chemistry and Physics, 2012, 12, 4619-4631.

E. Harris, B. Sinha, P. Hoppe, J. Crowley, S. Foley, "Sulfur isotope fractionation during oxidation of sulphur dioxide: Gas-phase oxidation by OH radicals and aqueous oxidation by H2O2, O3 and iron catalysis", Atmospheric Chemistry and Physics, 2012, 12, 407-423.

I. Trebs, R. Oswald, T. Behrendt, F. X. Meixner, "Aus dem Boden in die Luft", Nachrichten aus der Chemie, 2012, 60, 30-31.

A. Troester, M. Oettel, B. Block, P. Virnau, K. Binder, K. "Numerical approaches to determine the interface tension of curved interfaces from free energy calculations", Journal of Chemical Physics, 2012, 136(6), 064709.

K. Hüttinger, C. Förster, T. Bund, D. Hinderberger, K. Heinze, "Stereochemical consequences of oxygen atom transfer and electron transfer in imido/oxido molybdenum(IV, V, VI) complexes with two unsymmetric bidentate ligands", Inorganic Chemistry, 2012, 51, 4180-4192.

J. Fröhlich-Nowoisky, S. M. Burrows, Z. Xie, G. Engling, P. A. Solomon, M. P. Fraser, O. L. Mayol-Bracero, P. Artaxo, D. Begerow, R. Conrad, M. O. Andreae, V. R. Despres, U. Poeschl, "Biogeography in the air: fungal diversity over land and oceans", Biogeosciences, 2012, 9(3), 1125-1136.

V. R. Despres, J. A. Huffman, S. M. Burrows, C. Hoose, A. S. Safatov, G. Buryak, J. Froehlich-Nowoisky, W. Elbert, M. O. Andreae, U. Poeschl, R. Jaenicke, "Primary biological aerosol particles in the atmosphere: a review", Tellus Series B-Chemical and Physical Meteorology, 2012, 64, 15598.

J. F. Dechent, L. Buljubasich, H. W. Spiess, L. M. Schreiber, K. Münnemann, "Proton Magnetic Resonance Imaging with Para-Hydrogen Induced Polarization", Physical Chemistry Chemical Physics, 2012, 14(7), 2346-2352.

C. Dingels, M. Mangold, H. Frey, "Heterofunctional Poly(ethylene glycol)s with a Single Cleavable Moiety for Bioconjugation", Polym. Prepr. (Am. Chem. Soc., Div. Polym. Chem.), 2012, 53, 586.

V. S. Reuss, B. Obermeier, C. Dingels, H. Frey, "N,N-Diallyl Glycidyl Amine: A Key Monomer for Aminofunctional Poly(ethylene glycol) Architectures", Macromolecules, 2012, 45, 4581-4589.

F. Wurm, C. Dingels, H. Frey, H.-A. Klok, "Squaric Acid Mediated Synthesis and Biological Activity of a Library of Linear and Hyperbranched Poly(Glycerol)-Protein Conjugates", Biomacromolecules, 2012, 13, 1161-1171.

C. Dockter, A. H. Müller, C. Dietz, A. Volkov, Y. Polyhach, G. Jeschke, H Paulsen, "Rigid Core and Flexible Terminus Structure of Solubilized Light-Harvesting Chlorophyll a/b Complex (LHCII) Measured by EPR", Journal of Biological Chemistry 2012, 287(4), 2915-2925.

C. Dingels, F. Wurm, M. Wagner, H. A.Klok, H Frey, "Squaric Acid Mediated Chemoselective PEGylation of Proteins: Reactivity of Single-Step-Activated alpha-Amino Poly(ethylene glycol)s", Chemistry-A European Journal 2012, 18(52), 16828-16835.

C. Tonhauser, C. Schül, C. Dingels, H. Frey, "Branched Acid-Degradable, Biocompatible Polyether Copolymers via Anionic Ring-Opening Polymerization Using an Epoxide Inimer", ACS Macro Letters 2012, 1(9), 1094-1097.

H. Sihler, U. Platt, S. Beirle, T. Marbach, S. Kühl, S. Dörner, J. Verschaeve, U. Friess, D. Pöhler, L. Vogel, R. Sander, T. Wagner, "Tropospheric BrO column densities in the Arctic derived from satellite: retrieval and comparison to ground-based measurements", Atmospheric Measurement Techniques 2012, 5(11), 2779-2807.

J. X. Cui, D. M. Drotlef, I. Larraza, J. P. Fernandez-Blazquez, L. Boesel, C. Ohm, M. Mezger, R. Zentel, A. del Campo, "Bioinspired Actuated Adhesive Patterns of Liquid Crystalline Elastomers", Advanced Materials, 2012, 24, 4601-4604.

P. Papadopoulos, X. Deng, L. Mammen, D. M. Drotlef, G. Battagliarin, C. Li, K.  Möllen, K. Landfester, A. del Campo, H. J. Butt, D. Vollmer, "Wetting on the Microscale: Shape of a Liquid Drop on a Microstructured Surface at Different Length Scales", Langmuir, 2012, 28, 8392-8398.

F. Etzold, I. A. Howard, N. Forler, D. M. Cho, M. Meister, H. Mangold, J. Shu, M. R. Hansen, K. Möllen, F.  Laquai, "The Effect of Solvent Additives on Morphology and Excited-State Dynamics in PCPDTBT:PCBM Photovoltaic Blends", J. Am. Chem. Soc., 2012, 134, 10569-10583.

S. U. Frick, N. Bacher, G. Baier, V. Mailänder, K. Landfester, K.  Steinbrink, "drug delivery-Systeme im Fokus der Forschung, Beeinflussung dendritischer Zellen durch Nanopartikel" ,Wiley-Blackwell MedReport 6/36, 2012.

K. Gogoll, P. Stein, H. Wei, M. Radsak, J. Schild, P. Langguth, "Comparative transcutaneous immunization with imiquimod-containing ointments and potential of in vitro methods to predict effects", Biopharmaceutics & Drug Disposition, 2012, 3, 218-228.

A. Lotz, M. Heller, J. Brieger, M. Gabriel, R.  Förch, "Derivatisation of Plasma Polymerized Thin Films and Attachment of Biomolecules to Influence HUVEC-Cell Adhesion", Plasma Processes and Polymers, 2012, 9, 10-16.

A. Lotz, M. Heller, N. Dohm, P. Cierniak, K. Bender, B. Jansen, R. Förch, "Antimicrobial efficacy and optimized cell adhesion from defined plasma polymerised multilayer structures involving zinc acetylacetonate and allylamine", Journal of Materials Chemistry 2012, 22(37), 19455-19461.

U. Vothknecht, S. Otters, R. Hennig, D. Schneider, "Vipp1: a very import protein in plastids?!", Review, Journal of experimental botany, 2012, 63, 1699-1712.

M. Hemmelmann, D. Kurzbach, K. Koynov, D. Hinderberger, R . Zentel, "Aggregation Behavior of Amphiphilic p(HPMA)-co-p(LMA) Copolymers Studied by FCS and EPR Spectroscopy", Biomacromolecules 2012, 13(12), 4065-4074.

M. Hemmelmann, V. V. Metz, K. Koynov, K. Blank, R. Postina, R. Zentel, "Amphiphilic HPMA-LMA copolymers increase the transport of Rhodamine 123 across a BBB model without harming its barrier integrity", Journal of Controlled Release 2012, 163(2), 170-177.

A. Höcherl, M. Dass, K. Landfester, V. Mailänder, A. Musyanovych, "Competitive Cellular Uptake of Nanoparticles made from Polystyrene, Poly(methyl methacrylate) and Polylactide", Macromol. Biosc., 2012, 12(4), 454-464.

K. Jaskiewicz, A. Larsen, I. Lieberwirth, K. Koynov, W. Meier, G. Fytas, A. Kroeger,K.  Landfester, "Probing Bioinspired Transport of Nanoparticles into Polymersomes", Angewandte Chemie International Edition, 2012, 51, 4613-4617.

B. Köhle, C. Möller, T. L. Ross, "A novel 68Ga-Labeled Pteroic Acid-Based PET Tracer for Tumor Imaging via the Folate Receptor.", in Theranostics, Gallium-68, and Other Radionuclides, Berlin, 257-267, 2012.

M. Meister, J. J. Amsden, I. A. Howard, I. Park, C. Lee, D. Y. Yoon, F. Laquai, "Parallel Pool Analysis of Transient Spectroscopy Reveals Origins of and Perspectives for ZnO Hybrid Solar Cell Performance Enhancement Using Semiconducting Surfactants", Journal of Physical Chemistry Letters 2012, 3(18), 2665-2670.

P. Lellig, M. A. Niedermeier, M. Rawolle, M. Meister, F. Laquai, P. Möller-Buschbaum, J. S. Gutmann, "Comparative study of conventional and hybrid blocking layers for solid-state dye-sensitized solar cells", Physical Chemistry Chemical Physics, 2012, 14, 1607-1613.

T. Foken, F. X. Meixner, E. Falge, C. Zetzsch, A. Serafimovich, A. Bargsten, T. Behrendt, T. Biermann, C. Breuninger, S. Dix, T. Gerken, M. Hunner, L. Lehmann-Pape, K. Hens, G. Jocher, J. Kesselmeier, J. Lüers, J. C. Mayer, A. Moravek, D. Plake, M. Riederer, F. Rütz, M. Scheibe, L. Siebicke, M. Sörgel, K. Staudt, I. Trebs, A. Tsokankunku, M. Welling, V. Wolff, Z Zhu, "Coupling processes and exchange of energy and reactive and non-reactive trace gases at a forest site - results of the EGER experiment", Atmospheric Chemistry and Physics 2012, 12(4), 1923-1950.

I. Trebs, R. Oswald, T. Behrendt, F. X. Meixner, "From the Soil into the Air", Nachrichten aus der Chemie 2012, 60(1), 29-30.

O. Neudert, D. G. Zverev, C. Bauer, P. Blümler, H. W. Spiess, D.  Hinderberger,K.  Münnemann, "Overhauser DNP and EPR in a Mobile Setup: Influence of Magnetic Field Inhomogeneity", Applied Magnetic Resonance, 2012, 43, 149-165.

A. C. Nölscher, V. Sinha, S. Bockisch, T. Klöpfel, J.  Williams, "A new method for total OH reactivity measurements using a fast Gas Chromatographic Photo-Ionization Detector (GC-PID)", Atmos. Meas. Tech. Discuss., 2012, 5, 3575-3609.

A. C. Nölscher, V. Sinha, S. Bockisch, T. Klüpfel, J. Williams, "Total OH reactivity measurements using a new fast Gas Chromatographic Photo-Ionization Detector (GC-PID)", Atmospheric Measurement Techniques 2012, 5(12), 2981-2992.

A. C. Nölscher, J. Williams, V. Sinha, T. Custer, W. Song, A. M. Johnson, R.  Axinte, H. Bozem, H. Fischer, N. Pouvesle, G. Phillips, J. N. Crowley, P. Rantala,J. Rinne, M. Kulmala, D. Gonzales, J. Valverde-Canossa, A. Vogel, T. Hoffmann, H. G. Ouwersloot, J. Vile-Guerau de Arellano, J.  Lelieveld, "Summertime total OH reactivity measurements from boreal forest during HUMPPA-COPEC 2010", Atmospheric Chemistry and Physics 2012, 12(17), 8257-8270.

H. G. Uwersloot, J. Vile-Guerau de Arellano, A. C. Nölscher, M. C. Krol, L. N. Ganzeveld, C. Breitenberger, I. Mammarella, J. Williams, J.  Lelieveld, "Characterization of a boreal convective boundary layer and its impact on atmospheric chemistry during HUMPPA-COPEC-2010", Atmospheric Chemistry and Physics 2012, 12(19), 9335-9353.

L. Nuhn, M. Hirsch, B. Krieg, K. Koynov, K. Fischer, M. Schmidt, M. Helm, R.  Zentel, "Cationic Nanohydrogel Particles as Potential siRNA Carriers for Cellular Delivery", ACS Nano, 2012, 6(3), 2198-2214.

C. Pöhlker, K. T. Wiedemann, B. Sinha, M. Shiraiwa, S. S. Gunthe, M. Smith, H. Su, P. Artaxo, Q. Chen, Y. F. Cheng, W. Elbert, M. K. Gilles, A. L. D. Kilcoyne, R. C. Moffet, M. Weigand, S. T. Martin, U. Pöschl, M. O. Andreae, "Biogenic Potassium Salt Particles as Seeds for Secondary Organic Aerosol in the Amazon", Science 2012, 337(6098), 1075-1078.

C. Pöhlker, J. A. Huffman, U.  Pöschl, "Autofluorescence of atmospheric bioaerosols - fluorescent biomolecules and potential interferences", Atmos. Meas. Tech., 2012, 5, 37-71.

A. Som, A. Reuter, G. N. Tew, "Protein Transduction Domain Mimics: The Role of Aromatic Functionality", Angewandte Chemie Int. Ed., 2012, 124, 1004-1007.

J. Geschwind, S. Rathi, C. Mangold, M. Schömer, S. Hsu, E. Coughlin, H.  Frey,"PLLA Stars and Brushes Based on Functional PEG: Crystallization Agents for Poly(lactide)", Polymer Preprints, 2012, 53, 169.

M. Schömer, H.  Frey, "Multihydroxy-functional poly(propylene oxide) by random copolymerization of propylene oxide with functional oxirane monomers.", PMSE Preprints, 2012, 106.

M. Schömer, H. Frey, "Water-Soluble "Poly(propylene oxide)" by Random Copolymerization of Propylene Oxide with a Protected Glycidol Monomer", Macromolecules, 2012, 45, 3039-3046.

M. Schömer, J. Seiwert, H. Frey, "Hyperbranched poly(propylene oxide): A multifunctional backbone-thermoresponsive polyether polyol copolymer", ACS Macro Lett., 2012, 1(7), 888-891.

T. A. Pascal, D. Schärf, Y. Jung, T. D. Kühne, "On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields", Journal of Chemical Physics 2012, 137(24), Article Number: 244507.

C. Wehmeyer, G. F. von Rudorff, S. Wolf, G. Kabbe, D. Schärf, T. D. Kühne, D. Sebastiani, "Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry", Journal of Chemical Physics 2012, 137(19), Article Number: 194110.

D. Kurzbach, M. Schömer, V. S. Wilms, H. Frey, D. Hinderberger, "How Structure-Related Collapse Mechanisms Determine Nanoscale Inhomogeneities in Thermoresponsive Polymers", MacromoleculeS 2012, 45(18), 7535-7548.

M. Shiraiwa, C. Pfrang, T. Koop, U. Poeschl, "Kinetic multi-layer model of gas-particle interactions in aerosols and clouds (KM-GAP): linking condensation, evaporation and chemical reactions of organics, oxidants and water", Atmospheric Chemistry and Physics, 2012, 12(5), 2777-2794.

M. Shiraiwa, K. Selzle, U. Pöschl, "Hazardous components and health effects of atmospheric aerosol particles: reactive oxygen species, soot, polycyclic aromatic compounds and allergenic proteins", Free Radical Research, 2012, 46(8), 927-939.

M. Shiraiwa, U. Pöschl, D. A. Knopf, "Multiphase Chemical Kinetics of NO3 Radicals Reacting with Organic Aerosol Components from Biomass Burning", Environmental Science & Technology 2012, 46(12), 6630-6636.

M. Shiraiwa, K. Selzle, H. Yang, Y. Sosedova, M. Ammann, U. Pöschl, "Multiphase Chemical Kinetics of the Nitration of Aerosolized Protein by Ozone and Nitrogen Dioxide, Environ. Sci. Technol., 2012, 46(12), 6672-6680.

Y. F. Cheng, H. Su, D. Rose, S. S. Gunthe, M. Berghof, B. Wehner, P. Achtert, A. Nowak, N. Takegawa, Y. Kondo, M. Shiraiwa, Y. G. Gong, M. Shao, M. Hu, T. Zhu, Y. H. Zhang, G. R. Carmichael, A. Wiedensohler, M. O. Andreae, U. Pöschl, "Size-resolved measurement of the mixing state of soot in the megacity Beijing, China: diurnal cycle, aging and parameterization", Atmospheric Chemistry and Physics 2012, 12(10), 4477-4491.

C. Tonhauser, M. Mazurowski, M. Rehahn, M. Gallei, H. Frey, "Water-Soluble Poly(vinylferrocene)-b-Poly(ethylene oxide) Diblock and Miktoarm Star Polymers, Macromolecules, 2012, 45, 3409-3418.

S. Weis, Z. Shafiq, R. A. Gropeanu, A.  del Campo, "Ethyl substituted coumarin-4-yl derivatives as photoremovable protecting groups for amino acids with improved stability for SPPS", J. Photochem. Photobiol. A, 2012, 241, 52-57.

Q. C. Yang, K. P. Jochum, B. Stoll, U. Weis, D. Kuzmin, M. Wiedenbeck, H. Traub,M. D. Andreae, "BAM-S005 type A and B: new silicate reference glasses for microanalysis", Geostandards and Geoanalytical Research, 2012, 36, 301-313.

K. Jaskiewicz, M. Makowski, M. Kappl, K. Landfester, A. Kroeger, "Mechanical Properties of PDMS-b-PMOXA Polymersomes Probed by AFM" Langmuir, 2012, 28, 12629-12636.

K. Jaskiewicz, A. Larsen, D. Schaeffel, K. Koynov, I. Lieberwirth, G. Fytas, K. Landfester, A. Kroeger, "Incorporation of Nanoparticles into Polymersomes: Size and Concentration Effects" ACS nano 2012, 6, 7254-7262.

C. Tonhauser, A. Natalello, H. Löwe, H. Frey, "Microflow Technology in Polymer Synthesis", Macromolecules 2012, 45(24), 9551-9570.

C. Tonhauser, A. A. Golriz, C. Moers, R. Klein, H. J. Butt, H. Frey, "Stimuli-Responsive Y-Shaped Polymer Brushes Based on Junction-Point-Reactive Block Copolymers", Advanced Materials 2012, 24(41), 5559-5563.

C. Tonhauser, C. Schöll, C. Dingels, H. Frey, "Branched Acid-Degradable, Biocompatible Polyether Copolymers via Anionic Ring-Opening Polymerization Using an Epoxide Inimer" ACS Macro Lett., 2012, 1, 1094-1097.

A. L. Vogel, M. Äijälä, M. Brüggemann, M. Ehn, H. Junninen, T. Petäjä, D. R. Worsnop, M. Kulmala, J. Williams, T. Hoffmann, "Online atmospheric pressure chemical ionization ion trap mass spectrometry (APCI-IT-MSn) for measuring organic acids in concentrated bulk aerosol - a laboratory and field study", Atmos. Meas. Tech. Discuss., 2012, 5, 6147-6182.

S. U. Frick, N. Bacher, G. Baier, V. Mailänder, K. Landfester, K. Steinbrink,  “Functionalized polystyrene nanoparticles trigger human dendritic cell maturation resulting in enhanced CD4+ T cell activation”, Macromol Biosci, 2012, 12, 1637-164.

D. M. Drotlef, L. Stepien, M. Kappl, W. J. P. Barnes, H. J. Butt, A. del Campo, “Insights into the adhesive mechanisms of tree-frogs using artificial mimics”, Adv. Funct. Mater., 2012, 9, 1137-1146.

J. Czas, K. P. Jochum, B. Stoll, U. Weis, Q. C. Yang, D. E. Jacob, M. O. Andreae, "Investigation of matrix effects in 193 nm laser ablation-inductively coupled plasma-mass spectrometry analysis using reference glasses of different transparencies", Spectrochimica Acta Part B-Atomic Spectroscopy 2012, 78, 20-28.

K. P. Jochum, D. Scholz, B. Stoll, U. Weis, S. A. Wilson, Q. C. Yang, A. Schwalb, N. Börner, D. E. Jacob, M. O. Andreae, "Accurate trace element analysis of speleothems and biogenic calcium carbonates by LA-ICP-MS", Chemical Geology 2012, 318, 31-44.