Recent Publications

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- 2017
  - Leuenberger, Dominik; Zabka, Wolf-D; Shah, Oliver-F R; Schnidrig, Stephan; Probst, Benjamin; Alberto, Roger; Osterwalder, Jürg (2017). Atomically resolved band bending effects in a p-n heterojunction of Cu$_2$O and a cobalt macrocycle. Nano letters, 17(11):6620-6625.
  - Liffert, Raphael; Linden, Anthony; Gademann, Karl (2017). Total synthesis of the sesquiterpenoid periconianone a based on a postulated biogenesis. Journal of the American Chemical Society, 139(45):16096-16099.
  - Shu, Wei; Nevado, Cristina (2017). Visible-light-mediated remote aliphatic C−H functionalizations through a 1,5-hydrogen transfer cascade. Angewandte Chemie Internationale Edition, 56(7):1881-1884.
  - Li, Zhaodong; Merino, Estíbaliz; Nevado, Cristina (2017). Stereoselective carboperfluoroalkylation of internal alkynes: mechanistic insights. Topics in Catalysis, 60(8):545-553.
  - García-Domínguez, Andrés; Li, Zhaodong; Nevado, Cristina (2017). Nickel-catalyzed reductive dicarbofunctionalization of alkenes. Journal of the American Chemical Society, 139(20):6835-6838.
  - García-Domínguez, Andrés; Müller, Simona; Nevado, Cristina (2017). Nickel-catalyzed intermolecular carbosulfonylation of alkynes via sulfonyl radicals. Angewandte Chemie Internationale Edition, 56(33):9949-9952.
  - Shu, Wei; Genoux, Alexandre; Li, Zhaodong; Nevado, Cristina (2017). γ-functionalizations of amines through visible-light-mediated, redox-neutral C−C bond cleavage. Angewandte Chemie Internationale Edition, 56(35):10521-10524.
  - Kumar, Roopender; Krieger, Jean-Philippe; Gómez-Bengoa, Enrique; Fox, Thomas; Linden, Anthony; Nevado, Cristina (2017). The first gold(III) formate: evidence for β-hydride elimination. Angewandte Chemie Internationale Edition, 56(42):12862-12865.
  - Ruggeri, Francesca; Krishnan, Madhavi (2017). Lattice diffusion of a single molecule in solution. Physical review. E, 96:062406.
  - Latino, Diogo A. R. S; Wicker, Jörg; Gütlein, Martin; Schmid, Emanuel; Kramer, Stefan; Fenner, Kathrin (2017). Eawag-Soil in enviPath: a new resource for exploring regulatory pesticide soil biodegradation pathways and half-life data. Environmental Science: Processes, 19(3):449-464.
  - Lee, Minju; Blum, Lorenz C; Schmid, Emanuel; Fenner, Kathrin; von Gunten, Urs (2017). A computer-based prediction platform for the reaction of ozone with organic compounds in aqueous solution: kinetics and mechanisms. Environmental Science: Processes, 19(3):465-476.
  - Pastor, Ernest; Le Formal, Florian; Mayer, Matthew T; Tilley, S David; Francàs, Laia; Mesa, Camilo A; Grätzel, Michael; Durrant, James R (2017). Spectroelectrochemical analysis of the mechanism of (photo)electrochemical hydrogen evolution at a catalytic interface. Nature Communications, 8:14280.
  - Septina, Wilman; Prabhakar, Rajiv Ramanujam; Wick, René; Moehl, Thomas; Tilley, S David (2017). Stabilized Solar Hydrogen Production with CuO/CdS Heterojunction Thin Film Photocathodes. Chemistry of Materials, 29(4):1735-1743.
  - Abbott, Daniel F; Meier, Margrith; Meseck, Georg R; Fabbri, Emiliana; Seeger, Stefan; Schmidt, Thomas J (2017). Silicone Nanofilament-Supported Mixed Nickel-Metal Oxides for Alkaline Water Electrolysis. Journal of the Electrochemical Society, 164(4):F203-F208.
  - Ohno, Koichi; Kishimoto, Naoki; Iwamoto, Takeaki; Satoh, Hiroko (2017). Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H3 CNO3. Journal of Computational Chemistry, 38(10):669-687.
  - Musso, Tiziana; Kumar, Priyank V; Grossman, Jeffrey C; Foster, Adam S (2017). Engineering efficient p-Type TMD/Metal contacts using fluorographene as a buffer layer. Advanced electronic materials, 3(6):1600318.
  - Linden, Anthony (2017). Best practice and pitfalls in absolute structure determination. Tetrahedron: Asymmetry, 28(10):1314-1320.
  - Otlyotov, Arseniy A; Lamm, Jan-Hendrik; Blomeyer, Sebastian; Mitzel, Norbert W; Rybkin, Vladimir V; Zhabanov, Yuriy A; Tverdova, Natalya V; Giricheva, Nina I; Girichev, Georgiy V (2017). Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions. Physical Chemistry Chemical Physics (PCCP), 19(20):13093-13100.
  - Rybkin, Vladimir V (2017). Franck–Condon theory of quantum mechanochemistry. Journal of Physical Chemistry. A, 121(30):5758-5762.
  - Wilhelm, Jan; Hutter, Jürg (2017). Periodic GW calculations in the Gaussian and plane-waves scheme. Physical review. B, 95(23):235123.
  - Galib, Mirza; Duignan, Timothy T; Misteli, Yannick; Baer, Marcel D; Schenter, Gregory K; Hutter, Jürg; Mundy, Christopher J (2017). Mass density fluctuations in quantum and classical descriptions of liquid water. Journal of Chemical Physics, 146(24):244501.
  - Wang, Jiaqi; Bardelli, Marco; Espinosa, Diego A; Pedotti, Mattia; Ng, Thiam-Seng; Bianchi, Siro; Simonelli, Luca; Lim, Elisa X.Y; Foglierini, Mathilde; Zatta, Fabrizia; Jaconi, Stefano; Beltramello, Martina; Cameroni, Elisabetta; Fibriansah, Guntur; Shi, Jian; Barca, Taylor; Pagani, Isabel; Rubio, Alicia; Broccoli, Vania; Vicenzi, Elisa; Graham, Victoria; Pullan, Steven; Dowall, Stuart; Hewson, Roger; Jurt, Simon; Zerbe, Oliver; Stettler, Karin; Lanzavecchia, Antonio; Sallusto, Federica; Cavalli, Andrea; Harris, Eva; Lok, Shee-Mei; Varani, Luca; Corti, Davide (2017). A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential. Cell, 171(1):229-241.e15.
  - Ravat, Prince; Hinkelmann, Rahel; Steinebrunner, David; Prescimone, Alessandro; Bodoky, Ina; Juricek, Michal (2017). Configurational Stability of [5]Helicenes. Organic Letters, 19(14):3707-3710.
  - Pechlaner, Maria; Dominguez-Martin, Alicia; Sigel, Roland K O (2017). Influence of pH and Mg(ii) on the catalytic core domain 5 of a bacterial group II intron. Dalton Transactions, 46(12):3989-3995.
  - Choudhary, Pallavi K; Gallo, Sofia; Sigel, Roland K O (2017). Tb3+-Cleavage Assays Reveal Specific Mg2+ Binding Sites Necessary to Pre-fold the btuB Riboswitch for AdoCbl Binding. Frontiers in Chemistry, 5:598.
  - Sharma, Rajni; Ghasparian, Arin; Robinson, John A; McCullough, Kenneth C (2017). Dendritic cell sensing of hydrophobic di- and triacylated lipopeptides self-assembled within synthetic virus-like particles. Journal of Immunology, 199(2):734-749.
  - Zerbe, Katja; Moehle, Kerstin; Robinson, John A (2017). Protein epitope mimetics: from new antibiotics to supramolecular synthetic vaccines. Accounts of chemical research, 50(6):1323-1331.
  - Le, Jiabo; Iannuzzi, Marcella; Cuesta, Angel; Cheng, Jun (2017). Determining potentials of zero charge of metal electrodes versus the standard hydrogen electrode from density-functional-theory-based molecular dynamics. Physical Review Letters, 119(1):016801.
  - Palacios, Oscar; Jimenez-Marti, Elena; Niederwanger, Michael; Gil-Moreno, Selene; Zerbe, Oliver; Atrian, Silvia; Dallinger, Reinhard; Capdevila, Merce (2017). Analysis of metal-binding features of the wild type and two domain-truncated mutant variants of littorina littorea metallothionein reveals its Cd-specific character. International Journal of Molecular Sciences, 18:1452.
  - Niederwanger, Michael; Calatayud, Sara; Zerbe, Oliver; Atrian, Silvia; Albalat, Ricard; Capdevila, Merce; Palacios, Oscar; Dallinger, Reinhard (2017). Biomphalaria glabrata metallothionein: lacking metal specificity of the protein and missing gene upregulation suggest metal sequestration by exchange instead of through selective binding. International Journal of Molecular Sciences, 18:1457.
  - Ali, Korany A; Mloston, Grzegorz; Urbaniak, Katarzyna; Linden, Anthony; Heimgartner, Heinz (2017). [3+2]-Cycloadditions of nitrilimines with heteroaryl thioketones. Journal of Sulfur Chemistry, 38(6):604-613.
  - Golze, Dorothea; Benedikter, Niels; Iannuzzi, Marcella; Wilhelm, Jan; Hutter, Jürg (2017). Fast evaluation of solid harmonic Gaussian integrals for local resolution-of-the-identity methods and range-separated hybrid functionals. Journal of Chemical Physics, 146(3):034105.
  - Ertan, Emelie; Kimberg, Victor; Gel'mukhanov, Faris; Hennies, Franz; Rubensson, Jan-Erik; Schmitt, Thorsten; Strocov, Vladimir N; Zhou, Kejin; Iannuzzi, Marcella; Föhlisch, Alexander; Odelius, Michael; Pietzsch, Annette (2017). Theoretical simulations of oxygen K -edge resonant inelastic x-ray scattering of kaolinite. Physical review. B, 95(14):144301.
  - Golze, Dorothea; Iannuzzi, Marcella; Hutter, Jürg (2017). Local Fitting of the Kohn–Sham Density in a Gaussian and Plane Waves Scheme for Large-Scale Density Functional Theory Simulations. Journal of Chemical Theory and Computation, 13(5):2202-2214.
  - Barman, Samir; Remhof, Arndt; Koitz, Ralph; Iannuzzi, Marcella; Blacque, Olivier; Yan, Yigang; Fox, Thomas; Hutter, Jürg; Züttel, Andreas; Berke, Heinz (2017). Post-Synthesis Amine Borane Functionalization of a Metal-Organic Framework and Its Unusual Chemical Hydrogen Release Phenomenon. Chemistry - A European Journal, 23(37):8823-8828.
  - Kachmar, Ali; Carignano, Marcelo; Laino, Teodoro; Iannuzzi, Marcella; Hutter, Jürg (2017). Mapping the free energy of lithium solvation in the protic ionic liquid Ethylammonuim Nitrate: A metadynamics study. ChemSusChem, 10:3083-3090.
  - Graf, Manuel; Mette, Gerson; Leuenberger, Dominik; Gurdal, Yeliz; Iannuzzi, Marcella; Zabka, Wolf-Dietrich; Schnidrig, Stephan; Probst, Benjamin; Hutter, Jürg; Alberto, Roger; Osterwalder, Jürg (2017). The impact of metalation on adsorption geometry, electronic level alignment and UV-stability of organic macrocycles on TiO2(110). Nanoscale, 9(25):8756-8763.
  - Kowalski, Marcin K; Obijalska, Emilia; Mloston, Grzegorz; Heimgartner, Heinz (2017). Generation and reactions of thiocarbonyl S-(2,2,2-trifluoroethanides). Synthesis of trifluoromethylated 1,3-dithiolanes, thiiranes and alkenes. Journal of Fluorine Chemistry, 200:102-108.
  - Baumann, Christian; Beil, Andrea; Jurt, Simon; Niederwanger, Michael; Palacios, Oscar; Capdevila, Merce; Atrian, Silvia; Dallinger, Reinhard; Zerbe, Oliver (2017). Structural adaptation of a protein to increased metal stress: NMR structure of a marine snail metallothionein with an additional domain. Angewandte Chemie Internationale Edition, 129(16):4688-4693.
  - Li, Jingyi; Wäckerlin, Christian; Schnidrig, Stephan; Joliat, Evelyne; Alberto, Roger; Ernst, Karl-Heinz (2017). On-Surface Metalation and 2D Self-Assembly of Pyrphyrin Molecules Into Metal-Coordinated Networks on Cu(111). Helvetica Chimica Acta, 100(1):e1600278.
  - Vugts, Danielle J; Klaver, Chris; Sewing, Claudia; Poot, Alex J; Adamzek, Kevin; Huegli, Seraina; Mari, Cristina; Visser, Gerard W M; Valverde, Ibai E; Gasser, Gilles; Mindt, Thomas L; van Dongen, Guus A M S (2017). Comparison of the octadentate bifunctional chelator DFO*-pPhe-NCS and the clinically used hexadentate bifunctional chelator DFO-pPhe-NCS for 89Zr-immuno-PET. European Journal of Nuclear Medicine and Molecular Imaging, 44(2):286-295.
  - Basu Baul, Tushar S; Kehie, Pelesakuo; Höpfl, Herbert; Duthie, Andrew; Eng, George; Linden, Anthony (2017). Organotin(IV) complexes derived from proteinogenic amino acid: synthesis, structure and evaluation of larvicidal efficacy on Anopheles stephensi mosquito larvae. Applied Organometallic Chemistry, 31(1):e3547.
  - Garayalde, David; Rusconi, Giulia; Nevado, Cristina (2017). A gold- and brønsted acid catalytic interplay towards the synthesis of highly substituted tetrahydrocarbazoles. Helvetica Chimica Acta, 100(3):e1600333.
  - von Allmen, Kim D; Grundmann, Henrik; Linden, Anthony; Patzke, Greta R (2017). Synthesis and characterization of 0D–3D copper-containing tungstobismuthates obtained from the lacunary precursor Na$_9$[B-$\alpha$-BiW$_9$O$_{33}$]. Inorganic Chemistry, 56(1):327-335.
  - Saddiqi, Naeem-ul-Hasan; Patra, Debabrata; Seeger, Stefan (2017). Hydroxyapatite biomineralization on functionalized silicone nanofilaments. Colloid and Interface Science Communications, 16:1-5.
  - Meier, Margrith; Suppiger, Angela; Eberl, Leo; Seeger, Stefan (2017). Functional silver-silicone-nanofilament-composite material for water disinfection. Small, 13(4):1601072.
  - Linden, Anthony (2017). Acta Crystallographica Section C is making an impact. Acta Crystallographica. Section C: Structural Chemistry, 73(1):1.
  - Sosso, Gabriele Cesare; Caravati, Sebastiano; Rotskoff, Grant; Vaikuntanathan, Suriyanarayanan; Hassanali, Ali A (2017). On the role of non-spherical cavities in short length-scale density fluctuations in water. Journal of Physical Chemistry. A, 121(1):370-380.
  - Cao, Qian; Li, Yi; Freisinger, Eva; Qin, Peter Z; Sigel, Roland K O; Mao, Zong-Wan (2017). G-quadruplex DNA targeted metal complexes acting as potential anticancer drugs. Inorganic Chemistry Frontiers, 4(1):10-32.
  - Mloston, Grzegorz; Grzelak, Paulina; Heimgartner, Heinz (2017). Hetero-Diels–Alder reactions of hetaryl thiochalcones with acetylenic dienophiles. Journal of Sulfur Chemistry, 38(1):1-10.

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