Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 2022

    • Martín, Jaime; Gómez‐Bengoa, Enrique; Genoux, Alexandre; Nevado, Cristina (2022). Synthesis of Cyclometalated Gold(III) Complexes via Catalytic Rhodium to Gold(III) Transmetalation. Angewandte Chemie Internationale Edition, 61(20):e202116755.
    • Mousavi, Seyyed Jabbar; Berger, Arian; Hamm, Peter; Shalit, Andrey (2022). Low-frequency anharmonic couplings in bromoform revealed from 2D Raman-THz spectroscopy: From the liquid to the crystalline phase. Journal of Chemical Physics, 156(17):174501.
    • Rasmussen, Mads Georg; Jespersen, Malte Frydenlund; Blacque, Olivier; Mikkelsen, Kurt V; Juricek, Michal; Nielsen, Mogens Brøndsted (2022). Subphthalocyanine-triangulene dyads: Property tuning for light-harvesting device applications. WIREs Forensic Science, 10(5):1752-1762.
    • Anliker, Sabine; Santiago, Sergio; Fenner, Kathrin; Singer, Heinz (2022). Large-scale assessment of organic contaminant emissions from chemical and pharmaceutical manufacturing into Swiss surface waters. Water research, 215:118221.
    • Park, Jaemin; Yoon, Hyunseok; Lee, Dong-Yeop; Ji, Su Geun; Yang, Wooseok; Tilley, S David; Sung, Myeong-Chang; Park, Ik Jae; Tan, Jeiwan; Lee, Hyungsoo; Kim, Jin Young; Kim, Dong-Wan; Moon, Jooho (2022). Photovoltaic powered solar hydrogen production coupled with waste SO2 valorization enabled by MoP electrocatalysts. Applied Catalysis B: Environmental, 305:121045.
    • Cho, Choi-Fong; Farquhar, Charlotte E; Fadzen, Colin M; Scott, Benjamin; Zhuang, Pei; von Spreckelsen, Niklas; Loas, Andrei; Hartrampf, Nina; Pentelute, Bradley L; Lawler, Sean E (2022). A Tumor-Homing Peptide Platform Enhances Drug Solubility, Improves Blood–Brain Barrier Permeability and Targets Glioblastoma. Cancers, 14(9):2207.
    • Kumar, Chandan; Luber, Sandra (2022). Robust ΔSCF calculations with direct energy functional minimization methods and STEP for molecules and materials. Journal of Chemical Physics, 156(15):154104.
    • Sigel, Astrid; Sigel, Helmut; Sigel, Roland K O (2022). Coordination Chemistry of Nucleotides and Antivirally Active Acyclic Nucleoside Phosphonates, including Mechanistic Considerations. Molecules, 27(9):2625.
    • Ditler, Edward; Zimmermann, Tomáš; Kumar, Chandan; Luber, Sandra (2022). Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism. Journal of Chemical Theory and Computation, 18(4):2448-2461.
    • Vandaele, Eva; Mališ, Momir; Luber, Sandra (2022). The ΔSCF method for non-adiabatic dynamics of systems in the liquid phase. Journal of Chemical Physics, 156(13):130901.
    • Russo, Marina; Orel, Vojtěch; Stacko, Peter; Šranková, Mária; Muchová, Lucie; Vítek, Libor; Klán, Petr (2022). Structure–Photoreactivity Relationship of 3-Hydroxyflavone-Based CO-Releasing Molecules. Journal of Organic Chemistry, 87(7):4750-4763.
    • Coric, Ilija; Dhankhar, Jyoti (2022). Introduction to Spatial Anion Control for Direct C–H Arylation. Synlett, 33(06):503-512.
    • Göbel, Dominik; Míguez‐Lago, Sandra; Ruedas‐Rama, Maria Jose; Orte, Angel; Campaña, Araceli G; Juricek, Michal (2022). Circularly Polarized Luminescence of [6]Helicenes through Excited-State Intramolecular Proton Transfer. Helvetica Chimica Acta, 105(4):e202100221.
    • Earley, Daniel F; Guillou, Amaury; Klingler, Simon; Fay, Rachael; Gut, Melanie; d'Orchymont, Faustine; Behmaneshfar, Shamisa; Reichert, Linus; Holland, Jason P (2022). Charting the Chemical and Mechanistic Scope of Light-Triggered Protein Ligation. JACS Au, 2(3):646-664.
    • Yun, Juwon; Tan, Jeiwan; Jung, Young-Kwang; Yang, Wooseok; Lee, Hyungsoo; Ma, Sunihl; Park, Young Sun; Lee, Chan Uk; Niu, Wenzhe; Lee, Jeongyoub; Kim, Kyungmin; Tilley, S David; Walsh, Aron; Moon, Jooho (2022). Interfacial Dipole Layer Enables High-Performance Heterojunctions for Photoelectrochemical Water Splitting. ACS Energy Letters, 7:1392-1402.
    • Lengacher, Raphael; Ott, Sandro; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2022). A Multi-Functional Tool - Cyclopentadienyl Re and 99mTc Complex Synthesis on Highly Functionalised Arenes. Journal of Organometallic Chemistry, 962:122281.
    • Stein, Alina; Liang, Alexandria Deliz; Sahin, Reyhan; Ward, Thomas R (2022). Incorporation of metal-chelating unnatural amino acids into halotag for allylic deamination. Journal of Organometallic Chemistry, 962:122272.
    • Mani, Asma; Belgaied, Jamel Eddine; Gasser, Gilles; Blacque, Olivier (2022). Crystal structure of tris­(4,7-diphenyl-1,10-phenanthroline-κ2N,N′)cobalt(III) tris­(hexa­fluoro­phosphate) monohydrate. Acta Crystallographica. Section E: Structure Reports Online, 78(3):313-316.
    • Müller, Peter; Probst, Benjamin; Spingler, Bernhard; Blacque, Olivier; Alberto, Roger (2022). Polar Substituents Enable Efficient Catalysis for a Class of Cobalt Polypyridyl Hydrogen Evolving Catalysts. Helvetica Chimica Acta, 105(3):e202100237.
    • Rehm, Karoline; Vollenweider, Vera; Kümmerli, Rolf; Bigler, Laurent (2022). A comprehensive method to elucidate pyoverdines produced by fluorescent Pseudomonas spp. by UHPLC-HR-MS/MS. Analytical and Bioanalytical Chemistry, 414(8):2671-2685.
    • Siebenmann, Lukas; Bolliger, Robin; Braband, Henrik; Blacque, Olivier; Alberto, Roger (2022). Watching Hydrogens Migrate: Step by Step from [ReI(η6-C6H6)2]+ to [ReIII(η3-C6H9)(η6-C6H6)(NCCH3)2]2+. Inorganic Chemistry, 61(8):3683-3689.
    • Ketkaew, Rangsiman; Creazzo, Fabrizio; Luber, Sandra (2022). Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space. Journal of Physical Chemistry Letters, 13(7):1797-1805.
    • Li, Chengxi; Callahan, Alex J; Phadke, Kruttika S; Bellaire, Bryan; Farquhar, Charlotte E; Zhang, Genwei; Schissel, Carly K; Mijalis, Alexander J; Hartrampf, Nina; Loas, Andrei; Verhoeven, David E; Pentelute, Bradley L (2022). Automated Flow Synthesis of Peptide–PNA Conjugates. ACS Central Science, 8(2):205-213.
    • Blumberg, Markus; Al-Ameed, Karrar; Eiselt, Erik; Luber, Sandra; Mamat, Constantin (2022). Synthesis of Ionizable Calix[4]arenes for Chelation of Selected Divalent Cations. Molecules, 27(5):1478.
    • Stein, Frederick; Hutter, Jürg (2022). Double-hybrid density functionals for the condensed phase: Gradients, stress tensor, and auxiliary-density matrix method acceleration. Journal of Chemical Physics, 156(7):074107.
    • Han, Ruocheng; Ketkaew, Rangsiman; Luber, Sandra (2022). A Concise Review on Recent Developments of Machine Learning for the Prediction of Vibrational Spectra. Journal of Physical Chemistry. A, 126(6):801-812.
    • Wang, Yujia; Rickhaus, Michel; Blacque, Olivier; Baldridge, Kim K; Juricek, Michal; Siegel, Jay S (2022). Cooperative Weak Dispersive Interactions Actuate Catalysis in a Shape-Selective Abiological Racemase. Journal of the American Chemical Society, 144(6):2679-2684.
    • Rumo, Maxime; Pulkkinen, Aki; Ma, KeYuan; von Rohr, Fabian O; Muntwiler, Matthias; Monney, Claude (2022). Break of symmetry at the surface of IrTe2 upon phase transition measured by x-ray photoelectron diffraction. Journal of Physics: Condensed Matter, 34(7):075001.
    • Gäding, Johannes; Tocci, Gabriele; Busch, Mark; Huber, Patrick; Meißner, Robert H (2022). Impact of confinement and polarizability on dynamics of ionic liquids. Journal of Chemical Physics, 156(6):064703.
    • Varkhedkar, Rajesh; Yang, Fan; Dontha, Rakesh; Zhang, Jianglin; Liu, Jiyong; Spingler, Bernhard; van der Veen, Stijn; Duttwyler, Simon (2022). Natural-Product-Directed Catalytic Stereoselective Synthesis of Functionalized Fused Borane Cluster–Oxazoles for the Discovery of Bactericidal Agents. ACS Central Science, 8(3):322-331.
    • Amiri Rudbari, Hadi; Saadati, Arezoo; Aryaeifar, Mahnaz; Blacque, Olivier; Cuevas-Vicario, Jose V; Cabral, Rui; Raposo, Luis R; Fernandes, Alexandra R (2022). Platinum(II) and Copper(II) complexes of asymmetric halogen-substituted [NNʹO] ligands: Synthesis, characterization, structural investigations and antiproliferative activity. Bioorganic Chemistry, 119:105556.
    • Varzaneh, Mahdi Ahmadi; Memarian, Hamid R; Rudbari, Hadi Amiri; Blacque, Olivier (2022). Nucleophilic ability of 5-aminopyrazoles in the multicomponent synthesis of pyrazolodihydropyridines and pyrazolodihydropyrimidines. Australian Journal of Chemistry, 75(3):181-196.
    • Ketkaew, Rangsiman; Creazzo, Fabrizio; Luber, Sandra (2022). Closer Look at Inverse Electron Demand Diels–Alder and Nucleophilic Addition Reactions on s-Tetrazines Using Enhanced Sampling Methods. Topics in Catalysis, 65(1-4):1-17.
    • Bozovic, Olga; Jankovic, Brankica; Hamm, Peter (2022). Using azobenzene photocontrol to set proteins in motion. Nature Reviews Chemistry, 6(2):112-124.
    • Monteiro, Bernardo; Leal, João Paulo; Mendes, Ricardo F; Almeida Paz, Filipe A; Linden, Anthony; Smetana, Volodymyr; Mudring, Anja V; Avó, João; Pereira, Cláudia C L (2022). Lanthanide-based complexes as efficient physiological temperature sensors. Materials Chemistry and Physics, 277:125424.
    • Pauletti, Michela; Rybkin, Vladimir V; Iannuzzi, Marcella (2022). Surface tension of liquids and binary mixtures from molecular dynamics simulations. Journal of Physics: Condensed Matter, 34(4):044003.
    • Nadeem, Qaisar; Battistin, Federica; Blacque, Olivier; Alberto, Roger (2022). Naphthalene Exchange in [Re(η6-napht)2]+ with Pharmaceuticals Leads to Highly Functionalized Sandwich Complexes [M(η6-pharm)2]+ (M=Re/99mTc). Chemistry - A European Journal, 28(5):e202103566.
    • Klingler, Simon; Holland, Jason P (2022). Automated light-induced synthesis of 89Zr-radiolabeled antibodies for immuno-positron emission tomography. Scientific Reports, 12:668.
    • Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P (2022). Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging. Journal of Medicinal Chemistry, 65(1):811-823.
    • Varol, H Samet; Seeger, Stefan (2022). Fluorescent Staining of Silicone Micro- and Nanopatterns for Their Optical Imaging. Langmuir, 38(1):231-243.
    • Athanasakoglou, Anastasia; Fenner, Kathrin (2022). Toward Characterizing the Genetic Basis of Trace Organic Contaminant Biotransformation in Activated Sludge: The Role of Multicopper Oxidases as a Case Study. Environmental Science & Technology, 56(1):313-324.
    • Balestra, Manuele D; Atanov, Omargeldi; Lefèvre, Robin; Blacque, Olivier; Ng, Yat Hei; Lortz, Rolf; von Rohr, Fabian O (2022). Discovery of superconductivity in Nb₄SiSb₂ with a V₄SiSb₂-type structure and implications of interstitial doping on its physical properties. Journal of Materials Chemistry C, 10(32):11703-11709.
    • Melani, Giacomo; Guerrero-Felipe, Juan Pablo; Valencia, Ana M; Krumland, Jannis; Cocchi, Caterina; Iannuzzi, Marcella (2022). Donors, acceptors, and a bit of aromatics: electronic interactions of molecular adsorbates on hBN and MoS₂ monolayers. Physical Chemistry Chemical Physics (PCCP), 24(27):16671-16679.
    • Scheffe, Jonathan R; Haussener, Sophia; Patzke, Greta R (2022). Solar Hydrogen Production. Energy Technology, 10(1):2101021.
    • Balaghi, S Esmael; Heidari, Sima; Benamara, Mourad; Beyzavi, Hudson; Patzke, Greta R (2022). Fluoride etched Ni-based electrodes as economic oxygen evolution electrocatalysts. International Journal of Hydrogen Energy, 47(3):1613-1623.
    • Zhao, Yonggui; Dongfang, Nanchen; Triana, Carlos A; Huang, Chong; Erni, Rolf; Wan, Wenchao; Li, Jingguo; Stoian, Dragos; Pan, Long; Zhang, Ping; Lan, Jinggang; Iannuzzi, Marcella; Patzke, Greta R (2022). Dynamics and control of active sites in hierarchically nanostructured cobalt phosphide/chalcogenide-based electrocatalysts for water splitting. Energy & Environmental Science, 15(2):727-739.
    • Brenig, Christopher; Mestizo, Paula Daniela; Zelder, Felix (2022). Functionalisation of vitamin B12 derivatives with a cobalt β-phenyl ligand boosters antimetabolite activity in bacteria. RSC Advances, 12(44):28553-28559.
    • Csucker, Joshua; Jo, Da Kyung; Nadeem, Qaisar; Blacque, Olivier; Fox, Thomas; Braband, Henrik; Alberto, Roger (2022). An isoindoline bridged [M(η6-arene)2]+ (M = Re, 99mTc) ansa-arenophane and its dinuclear macrocycles with axial chirality. Dalton Transactions, 51(25):9591-9595.
    • Walker, Tom W N; Alexander, Jake M; Allard, Pierre‐Marie; Baines, Oliver; Baldy, Virginie; Bardgett, Richard D; Capdevila, Pol; Coley, Phyllis D; David, Bruno; Defossez, Emmanuel; Endara, María‐José; Ernst, Madeleine; Fernandez, Catherine; Forrister, Dale; Gargallo‐Garriga, Albert; Jassey, Vincent E J; Marr, Sue; Neumann, Steffen; Pellissier, Loïc; Peñuelas, Josep; Peters, Kristian; Rasmann, Sergio; Roessner, Ute; Sardans, Jordi; Schrodt, Franziska; Schuman, Meredith Christine; et al (2022). Functional Traits 2.0: The power of the metabolome for ecology. Journal of Ecology, 110(1):4-20.
    • Yang, Qiuyun; Muchová, Lucie; Štacková, Lenka; Stacko, Peter; Šindelář, Vladimir; Vítek, Libor; Klán, Petr (2022). Cyanine–flavonol hybrids as NIR-light activatable carbon monoxide donors in methanol and aqueous solutions. Chemical Communications, 58(64):8958-8961.

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