Recent Publications

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- 2018
  - Stolze, Karoline; Kong, Tai; von Rohr, Fabian O; Cava, Robert J (2018). Crystal structure and anisotropic magnetic properties of CaCo4(TeO3)4Cl2. Journal of Solid State Chemistry, 263:141-147.
  - Sidler, David; Meuwly, Markus; Hamm, Peter (2018). An efficient water force field calibrated against intermolecular THz and Raman spectra. Journal of Chemical Physics, 148(24):244504.
  - Ahmed, Saima; Pasti, Andrea; Fernández-Terán, Ricardo J; Ciardi, Gustavo; Shalit, Andrey; Hamm, Peter (2018). Aqueous solvation from the water perspective. Journal of Chemical Physics, 148(23):234505.
  - Stock, Gerhard; Hamm, Peter (2018). A non-equilibrium approach to allosteric communication. Philosophical Transactions of the Royal Society of London. Series B: Biological Sciences, 373(1749):20170187.
  - Busch, Michael; Fabrizio, Alberto; Luber, Sandra; Hutter, Jürg; Corminboeuf, Clemence (2018). Exploring the Limitation of Molecular Water Oxidation Catalysts. Journal of Physical Chemistry C, 122(23):12404-12412.
  - Wellig, Sebastian; Hamm, Peter (2018). Solvation Layer of Antifreeze Proteins Analyzed with a Markov State Model. Journal of Physical Chemistry B, 122(49):11014-11022.
  - Achermann, Stefan; Bianco, Valeria; Mansfeldt, Cresten B; Vogler, Bernadette; Kolvenbach, Boris A; Corvini, Philippe F X; Fenner, Kathrin (2018). Biotransformation of Sulfonamide Antibiotics in Activated Sludge: The Formation of Pterin-Conjugates Leads to Sustained Risk. Environmental Science & Technology, 52(11):6265-6274.
  - Alzeer, J (2018). Halalopathic: A New Concept in Medicine. Journal of Molecular and Genetic Medicine:12:2.
  - Collier, Thomas L; Dahl, Kenneth; Stephenson, Nickeisha A; Holland, Jason P; Riley, Adam; Liang, Steven H; Vasdev, Neil (2018). Recent applications of a single quadrupole mass spectrometer in 11C, 18F and radiometal chemistry. Journal of Fluorine Chemistry, 210:46-55.
  - Mloston, Grzegorz; Hamera-Faldyga, Roza; Celeda, Malgorzata; Heimgartner, Heinz (2018). Efficient synthesis of ferrocifens and other ferrocenyl-substituted ethylenes via a ‘sulfur approach’. Organic & Biomolecular Chemistry, 16(23):4350-4356.
  - Prabhakar, Rajiv Ramanujam; Cui, Wei; Tilley, S David (2018). New Earth-abundant Materials for Large-scale Solar Fuels Generation. CHIMIA International Journal for Chemistry, 72(5):333-337.
  - Luber, Sandra (2018). Dynamic ab initio Methods for Vibrational Spectroscopy. CHIMIA International Journal for Chemistry, 72(5):328-332.
  - Wang, Yujia; Allemann, Oliver; Balaban, T Silviu; Vanthuyne, Nicolas; Linden, Anthony; Baldridge, Kim K; Siegel, Jay S (2018). Chiral Atropisomeric Indenocorannulene Bowls: Critique of the Cahn-Ingold-Prelog Conception of Molecular Chirality. Angewandte Chemie Internationale Edition, 57(22):6470-6474.
  - Véron, Anna C; Linden, Anthony; Leclaire, Nicolas A; Roedern, Elsa; Hu, Shunbo; Ren, Wei; Rentsch, Daniel; Nüesch, Frank A (2018). One-Dimensional Organic–Inorganic Hybrid Perovskite Incorporating Near-Infrared-Absorbing Cyanine Cations. Journal of Physical Chemistry Letters, 9(9):2438-2442.
  - Läppchen, Tilman; Kiefer, Yvonne; Holland, Jason P; Bartholomä, Mark D (2018). In vitro and in vivo evaluation of the bifunctional chelator NODIA-Me in combination with a prostate-specific membrane antigen targeting vector. Nuclear medicine and biology, 60:45-54.
  - García-Domínguez, Andrés; Nevado, Cristina (2018). Transforming Olefins into Dinucleophiles. CHIMIA International Journal for Chemistry, 72(4):212-215.
  - Schilling, Mauro; Luber, Sandra (2018). Computational Modeling of Cobalt-Based Water Oxidation: Current Status and Future Challenges. Frontiers in Chemistry:6:100.
  - Nievergelt, Philipp P; Babor, Martin; Čejka, Jan; Spingler, Bernhard (2018). A high throughput screening method for the nano-crystallization of salts of organic cations. Chemical Science, 9(15):3716-3722.
  - Preda, Fabrizio; Perri, Antonio; Réhault, Julien; Dutta, Biplab; Helbing, Jan; Cerullo, Giulio; Polli, Dario (2018). Time-domain measurement of optical activity by an ultrastable common-path interferometer. Optics letters, 43(8):1882.
  - Pletikosić, Ivo; von Rohr, Fabian; Pervan, Petar; Das, P K; Vobornik, Ivana; Cava, Robert J; Valla, Tonica (2018). Band Structure of the IV-VI Black Phosphorus Analog and Thermoelectric SnSe. Physical Review Letters, 120:156403.
  - Piccinno, Fabiano; Hischier, Roland; Seeger, Stefan; Som, Claudia (2018). Eco-Efficient Process Improvement at the Early Development Stage: Identifying Environmental and Economic Process Hotspots for Synergetic Improvement Potential. Environmental Science & Technology, 52(10):5959-5967.
  - Gottwald, Esther M; Duss, Michael; Bugarski, Milica; Haenni, Dominik; Schuh, Claus D; Landau, Ehud M; Hall, Andrew M (2018). The targeted anti-oxidant MitoQ causes mitochondrial swelling and depolarization in kidney tissue. Physiological Reports, 6(7):e13667.
  - Feige, Pascal; de Haro, Teresa; Rusconi, Giulia; Merino, Estibaliz; Nevado, Cristina (2018). Gold-catalyzed oxidative aminoesterification of unactivated alkenes. Monatshefte für Chemie / Chemical Monthly, 149(4):749-754.
  - Obijalska, Emilia; Pawelec, Maria; Mloston, Grzegorz; Capperucci, Antonella; Tanini, Damiano; Heimgartner, Heinz (2018). A Remarkable Influence of a Trifluoromethyl Group on the Reactions of β‐Mercaptoalcohols with Fluorinated α‐Bromoenones. European Journal of Organic Chemistry, 2018(27-28):3716-3723.
  - Wu, Xianxin; Jeschke, Harald O; Di Sante, Domenico; von Rohr, Fabian O; Cava, Robert J; Thomale, Ronny (2018). Origin of the pressure-dependent Tc valley in superconducting simple cubic phosphorus. Physical Review Materials, 2(3):034802.
  - von Rohr, Fabian O; Cava, Robert J (2018). Isoelectronic substitutions and aluminium alloying in the Ta-Nb-Hf-Zr-Ti high-entropy alloy superconductor. Physical Review Materials, 2:034801.
  - Andolina, Gloria; Bencze, László-Csaba; Zerbe, Katja; Müller, Maik; Steinmann, Jessica; Kocherla, Harsha; Mondal, Milon; Sobek, Jens; Moehle, Kerstin; Malojčić, Goran; Wollscheid, Bernd; Robinson, John A (2018). A Peptidomimetic Antibiotic Interacts with the Periplasmic Domain of LptD from Pseudomonas aeruginosa. ACS Chemical Biology, 13(3):666-675.
  - Marino, Jacopo; Walser, Reto; Poms, Martin; Zerbe, Oliver (2018). Understanding GPCR recognition and folding from NMR studies of fragments. RSC Advances, 8:9858-9870.
  - Strässler, Christoph; Linden, Anthony; Heimgartner, Heinz (2018). Synthesis of tripeptides containing heterocyclic α -amino acids by using heterospirocyclic 3-amino-2H-azirines. Heterocycles, 97(1):333-354.
  - Batiste, Laurent; Unzue, Andrea; Dolbois, Aymeric; Hassler, Fabrice; Wang, Xuan; Deerain, Nicholas; Zhu, Jian; Spiliotopoulos, Dimitrios; Nevado, Cristina; Caflisch, Amedeo (2018). Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). ACS Central Science, 4(2):180-188.
  - Paleček, David; Tek, Gökçen; Lan, Jinggang; Iannuzzi, Marcella; Hamm, Peter (2018). Characterization of the Platinum–Hydrogen Bond by Surface-Sensitive Time-Resolved Infrared Spectroscopy. Journal of Physical Chemistry Letters, (9):1254-1259.
  - Stolze, Karoline; Tao, Jing; von Rohr, Fabian O; Kong, Tai; Cava, Robert J (2018). Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice. Chemistry of Materials, 30(3):906-914.
  - Piccinno, Fabiano; Hischier, Roland; Seeger, Stefan; Som, Claudia (2018). Predicting the environmental impact of a future nanocellulose production at industrial scale: Application of the life cycle assessment scale-up framework. Journal of Cleaner Production, 174:283-295.
  - Duss, Michael; Salvati Manni, Livia; Moser, Laurent; Handschin, Stephan; Mezzenga, Raffaele; Jessen, Henning J; Landau, Ehud M (2018). Lipidic Mesophases as Novel Nanoreactor Scaffolds for Organocatalysts: Heterogeneously Catalyzed Asymmetric Aldol Reactions in Confined Water. ACS applied materials & interfaces, 10(5):5114-5124.
  - Joliat-Wick, Evelyne; Weder, Nicola; Klose, Daniel; Bachmann, Cyril; Spingler, Bernhard; Probst, Benjamin; Alberto, Roger (2018). Light-Induced H2 Evolution with a Macrocyclic Cobalt Diketo-Pyrphyrin as a Proton-Reducing Catalyst. Inorganic Chemistry, 57(3):1651-1655.
  - Wilhelm, Jan; Golze, Dorothea; Talirz, Leopold; Hutter, Jürg; Pignedoli, Carlo A (2018). Toward GW Calculations on Thousands of Atoms. Journal of Physical Chemistry Letters, 9(2):306-312.
  - Kraack, Jan Philip; Hamm, Peter (2018). Solvent-Controlled Morphology of Catalytic Monolayers at Solid–Liquid Interfaces. Journal of Physical Chemistry C, 122(4):2259-2267.
  - Alzeer, Jawad; Rieder, Ulrike; Hadeed, Khaled Abou (2018). Rational and practical aspects of Halal and Tayyib in the context of food safety. Trends in Food Science & Technology, 71:264-267.
  - Weinmann, Christian; Holland, Jason P; Läppchen, Tilman; Scherer, Harald; Maus, Stephan; Stemler, Tobias; Bohnenberger, Hendrik; Ezziddin, Samer; Kurz, Philipp; Bartholomä, Mark D (2018). Optimized synthesis and indium complex formation with the bifunctional chelator NODIA-Me. Organic & Biomolecular Chemistry, 16(40):7503-7512.
  - Müller, Rafael J; Lan, Jinggang; Lienau, Karla; Moré, René; Triana, Carlos A; Iannuzzi, Marcella; Patzke, Greta R (2018). Monitoring surface transformations of metal carbodiimide water oxidation catalysts by operando XAS and Raman spectroscopy. Dalton Transactions, 47(31):10759-10766.
  - Jacot, Roger; Naik, J Madhusudhan; Moré, René; Michalsky, Ronald; Steinfeld, Aldo; Patzke, Greta R (2018). Reactive stability of promising scalable doped ceria materials for thermochemical two-step CO2 dissociation. Journal of Materials Chemistry A, 6(14):5807-5816.
  - Cui, Wei; Niu, Wenzhe; Wick-Joliat, René; Moehl, Thomas; Tilley, S David (2018). Operando deconvolution of photovoltaic and electrocatalytic performance in ALD TiO2 protected water splitting photocathodes. Chemical Science, 9(28):6062-6067.
  - Schilling, Mauro; Böhler, Michael; Luber, Sandra (2018). Towards the rational design of the Py5-ligand framework for ruthenium-based water oxidation catalysts. Dalton Transactions, 47(31):10480-10490.
  - Luber, Sandra (2018). Localized molecular orbitals for calculation and analysis of vibrational Raman optical activity. Physical Chemistry Chemical Physics (PCCP), 20(45):28751-28758.
  - Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R; Macchi, Piero; Turner, Michael J; Howard, Judith A K; Dolomanov, Oleg V; Puschmann, Horst; Iversen, Bo B; Bürgi, Hans-Beat; Grabowsky, Simon (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IU Cr J, 5(1):32-44.
  - Habjanič, Jelena; Zerbe, Oliver; Freisinger, Eva (2018). A histidine-rich Pseudomonas metallothionein with a disordered tail displays higher binding capacity for cadmium than zinc. Metallomics, 10(10):1415-1429.
  - Cabral, Augusto C S; Jakovleska, Jovana; Deb, Aniruddha; Penner-Hahn, James E; Pecoraro, Vincent L; Freisinger, Eva (2018). Further insights into the metal ion binding abilities and the metalation pathway of a plant metallothionein from Musa acuminata. Journal of Biological Inorganic Chemistry, 23(1):91-107.
  - Zhang, Kang; Shen, Yunjun; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon (2018). Crystal structure of a carborane endo/exo-dianion and its use in the synthesis of ditopic ligands for supramolecular frameworks. Chemical Communications, 54(14):1698-1701.
  - Mloston, Grzegorz; Hamera-Faldyga, Roza; Heimgartner, Heinz (2018). First synthesis of ferrocenyl-substituted thiochalcones and their [4+2]-cycloadditions with acetylenic dienophiles. Journal of Sulfur Chemistry, 39(3):322-331.
  - Hattori, Hiromu; Roesslein, Joel; Caspers, Patrick; Zerbe, Katja; Miyatake-Ondozabal, Hideki; Ritz, Daniel; Rueedi, Georg; Gademann, Karl (2018). Total Synthesis and Biological Evaluation of the Glycosylated Macrocyclic Antibiotic Mangrolide A. Angewandte Chemie Internationale Edition, 57(34):11020-11024.

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