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ZORA Publication List

Publications

Journal Article
- 2023
  - Linden, Anthony; Bucher, Christoph B; Gubler, Ralf; Villalgordo, José M; Heimgartner, Heinz (2023). Synthesis and crystal structures of new chiral 3-amino-2H-azirines and the Pd complex of one of them. Acta Crystallographica. Section C: Structural Chemistry, 79(3):104-111.
  - Linden, Anthony (2023). Optimizing disordered crystal structures. Acta Crystallographica. Section C: Structural Chemistry, 79(3):69-70.
  - Srivastava, Gitika; Štacko, Peter; Mendieta-Moreno, Jesús I; Edalatmanesh, Shayan; Kistemaker, Jos C M; Heideman, G Henrieke; Zoppi, Laura; Parschau, Manfred; Feringa, Ben L; Ernst, Karl-Heinz (2023). Driving a Third Generation Molecular Motor with Electrons Across a Surface. ACS Nano, 17(4):3931-3938.
  - Satoh, Hiroko; Hafner, Jasmin; Hutter, Jürg; Fenner, Kathrin (2023). Can AI Help Improve Water Quality? Towards the Prediction of Degradation of Micropollutants in Wastewater. Chimia, 77(1/2):48.
  - Belleflamme, Fabian; Hehn, Anna-Sophia; Iannuzzi, Marcella; Hutter, Jürg (2023). A variational formulation of the Harris functional as a correction to approximate Kohn–Sham density functional theory. Journal of Chemical Physics, 158(5):054111.
  - Mahe, Capucine; Blacque, Olivier; Gasser, Gilles; Gandon, Vincent; Cariou, Kevin (2023). N-Metallocenyl Ynamides: Preparation, Reactivity, and Synthesis of ansa[3]-Ferrocenylamides. Organic Letters, 25(4):624-629.
  - Schmid, N; Bruderer, S; Paruzzo, F; Fischetti, G; Toscano, G; Graf, D; Fey, M; Henrici, A; Ziebart, V; Heitmann, B; Grabner, H; Wegner, Jan Dirk; Sigel, R K O; Wilhelm, D (2023). Deconvolution of 1D NMR spectra: A deep learning-based approach. Journal of Magnetic Resonance, 347:107357.
  - Stefanini, Camilla; Csilléry, Katalin; Ulaszewski, Bartosz; Burczyk, Jarosław; Schaepman, Michael E; Schuman, Meredith Christine (2023). A novel synthesis of two decades of microsatellite studies on European beech reveals decreasing genetic diversity from glacial refugia. Tree Genetics & Genomes, 19(1):3.
  - Basu Baul, Tushar S; Hlychho, Bietlaichhai; Addepalli, Maheswara Rao; Kundu, Sajal; de Vos, Dick; Linden, Anthony (2023). Synthesis and structures of polynuclear organotin(IV) complexes of a polyaromatic carboxylate ligand and cytotoxic evaluation in tumor cell lines. Journal of Organometallic Chemistry, 985:122592.
  - Ebrahimi, Fatemeh; Memarian, Hamid Reza; Rudbari, Hadi Amiri; Blacque, Olivier (2023). Non-oxidative photoreaction of 1,3,5-triaryl-2-pyrazoline-4-ol (4-methoxy) derivatives. Journal of Photochemistry and Photobiology A: Chemistry, 435:114306.
  - Rehm, Karoline; Vollenweider, Vera; Kümmerli, Rolf; Bigler, Laurent (2023). Rapid identification of pyoverdines of fluorescent Pseudomonas spp. by UHPLC-IM-MS. Biometals, 36(1):19-34.
  - Al-Wahaibi, Lamya H; Blacque, Olivier; Al-Shaalan, Nora H; Tiekink, Edward R T; El-Emam, Ali A (2023). Crystal structure of N-ethyl-4-[3-(trifluoromethyl)-phenyl]piperazine-1-carbothioamide, C14H18F3N3S. Zeitschrift für Kristallographie - New Crystal Structures, 238(1):45-47.
  - Püntener, Salome; Rivera-Fuentes, Pablo (2023). Single-Molecule Peptide Identification Using Fluorescence Blinking Fingerprints. Journal of the American Chemical Society, 145(2):1441-1447.
  - Michel, Erich; Cucuzza, Stefano; Mittl, Peer R E; Zerbe, Oliver; Plückthun, Andreas (2023). Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design. Biochemistry, 62(2):318-329.
  - Naik, J Madhusudhan; Bulfin, Brendan; Triana, Carlos A; Stoian, Dragos Constantin; Patzke, Greta R (2023). Cation-Deficient Ce-Substituted Perovskite Oxides with Dual-Redox Active Sites for Thermochemical Applications. ACS applied materials & interfaces, 15(1):806-817.
  - Tian, Run; Posselt, Malte; Fenner, Kathrin; McLachlan, Michael S (2023). Increasing the Environmental Relevance of Biodegradation Testing by Focusing on Initial Biodegradation Kinetics and Employing Low-Level Spiking. Environmental science & technology letters, 10(1):40-45.
  - Varol, H Samet; Seeger, Stefan (2023). Droplet Size-Assisted Polysiloxane Architecting. Langmuir, 39(1):377-388.
  - Sertcan, Beliz; Mousavi, Seyyed Jabbar; Iannuzzi, Marcella; Hamm, Peter (2023). Low-Frequency Anharmonic Couplings in Crystalline Bromoform: Theory. Journal of Chemical Physics, 158(1):014203.
  - Han, Ruocheng; Mattiat, Johann; Luber, Sandra (2023). Automatic purpose-driven basis set truncation for time-dependent Hartree–Fock and density-functional theory. Nature Communications, 14(1):106.
  - Trostel, Leo; Coll, Claudia; Fenner, Kathrin; Hafner, Jasmin (2023). Combining predictive and analytical methods to elucidate pharmaceutical biotransformation in activated sludge. Environmental Science: Processes, 25(8):1322-1336.
  - Park, Jaemin; Shalvey, Thomas P; Moehl, Thomas; Woo, Kyoohee; Major, Jonathan D; Tilley, S David; Yang, Wooseok (2023). Impedance spectroscopy of Sb$_2$Se$_3$ photovoltaics consisting of (Sb$_4$Se$_6$)$_n$ nanoribbons under light illumination. Nanoscale, 15(48):19757-19766.
  - Čavlović, Daniel; Blacque, Olivier; Krummenacher, Ivo; Braunschweig, Holger; Ravat, Prince; Juricek, Michal (2023). Dimethylnonacethrene – en route to a magnetic switch. Chemical Communications, 59(50):7743-7746.
  - Al-Wahaibi, Lamya H; Alagappan, Kowsalya; Gomila, Rosa M; Blacque, Olivier; Frontera, Antonio; Percino, M Judith; El-Emam, Ali A; Thamotharan, Subbiah (2023). A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking. RSC Advances, 13(48):34064-34077.
  - Belleflamme, Fabian; Hutter, Jürg (2023). Radicals in aqueous solution: assessment of density-corrected SCAN functional. Physical Chemistry Chemical Physics (PCCP), 25(31):20817-20836.
  - Czyz, Ewa A; Schmid, Bernhard; Hueni, Andreas; Eppinga, Maarten B; Schuman, Meredith Christine; Schneider, Fabian D; Guillén-Escribà, Carla; Schaepman, Michael E (2023). Genetic constraints on temporal variation of airborne reflectance spectra and their uncertainties over a temperate forest. Remote Sensing of Environment, 284:113338.
  - Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed (2023). Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal. CrystEngComm, 25(3):365-377.
  - Karges, Johannes; Giardini, Miriam A; Blacque, Olivier; Woodworth, Brendon; Siqueira-Neto, Jair L; Cohen, Seth M (2023). Enantioselective inhibition of the SARS-CoV-2 main protease with rhenium(i) picolinic acid complexes. Chemical Science, 14(3):711-720.
  - Reissig, Falco; Bauer, David; Al-Ameed, Karrar; Luber, Sandra; Köckerling, Martin; Steinbach, Jörg; Pietzsch, Hans-Jürgen; Mamat, Constantin (2023). Calix[4]crowns with perfluoroalkylsulfonylcarboxamide functions: a complexation approach for heavy group 2 metal ions. Inorganic Chemistry Frontiers, 10(2):370-382.
- 2022
  - Ketkaew, Rangsiman; Luber, Sandra (2022). DeepCV: A Deep Learning Framework for Blind Search of Collective Variables in Expanded Configurational Space. Journal of Chemical Information and Modeling, 62(24):6352-6364.
  - Eördögh, Ádám; Martin, Annabell; Rivera‐Fuentes, Pablo (2022). Long-Term, Single-Molecule Imaging of Proteins in Live Cells with Photoregulated Fluxional Fluorophores. Chemistry - A European Journal, 28(71):e202202832.
  - Irziqat, Bahaaeddin; Berger, Jan; Cebrat, Aleksandra; Mendieta‐Moreno, Jesús I; Sundar, Mothuku Shyam; Bedekar, Ashutosh V; Ernst, Karl‐Heinz (2022). Conglomerate Aggregation of 7,12,17-Trioxa[11]helicene into Homochiral Two-Dimensional Crystals on the Cu(100) Surface. Helvetica Chimica Acta, 105(12):e202200114.
  - Rivas, Feriannys; Del Mármol, Carolina; Scalese, Gonzalo; Pérez-Díaz, Leticia; Machado, Ignacio; Blacque, Olivier; Medeiros, Andrea; Comini, Marcelo; Gambino, Dinorah (2022). New multifunctional Ru(II) organometallic compounds show activity against Trypanosoma brucei and Leishmania infantum. Journal of Inorganic Biochemistry, 237:112016.
  - Al-Wahaibi, Lamya H; Alagappan, Kowsalya; Blacque, Olivier; Mohamed, Ahmed A B; Hassan, Hanan M; Percino, María Judith; El-Emam, Ali A; Thamotharan, Subbiah (2022). X-ray Structures and Computational Studies of Two Bioactive 2-(Adamantane-1-carbonyl)-N-substituted Hydrazine-1-carbothioamides. Molecules, 27(23):8425-8443.
  - Lang, Jakob; Chidawanyika, Frank; Khan, Zeyaur R; Schuman, Meredith Christine (2022). Ecological chemistry of pest control in push-pull intercropping systems: What we know, and where to go?. Chimia, 76(11):906.
  - Łuczkowski, Marek; Padjasek, Michał; Ba Tran, Józef; Hemmingsen, Lars; Kerber, Olga; Habjanič, Jelena; Freisinger, Eva; Krężel, Artur (2022). An Extremely Stable Interprotein Tetrahedral Hg(Cys) ₄ Core Forms in the Zinc Hook Domain of Rad50 Protein at Physiological pH. Chemistry, 28(66):e202202738.
  - Vallapurackal, Jaicy; Stucki, Ariane; Liang, Alexandria Deliz; Klehr, Juliane; Dittrich, Petra S; Ward, Thomas R (2022). Ultrahigh‐Throughput Screening of an Artificial Metalloenzyme using Double Emulsions. Angewandte Chemie Internationale Edition, 61(48):e202207328.
  - Bolliger, Robin; Blacque, Olivier; Braband, Henrik; Alberto, Roger (2022). One Electron Changes Everything: Synthesis, Characterization, and Reactivity Studies of [Re(NCCH3)6]3+. Inorganic Chemistry, 61(46):18325-18334.
  - Hoff, Lukas V; Hauser, Joana M; Gademann, Karl (2022). Cross-Coupling Reactions of 5-Bromo-1,2,3-triazine. Journal of Organic Chemistry, 87(22):15684-15692.
  - Shchelik, Inga S; Gademann, Karl (2022). Synthesis and Antimicrobial Evaluation of New Cephalosporin Derivatives Containing Cyclic Disulfide Moieties. ACS Infectious Diseases, 8(11):2327-2338.
  - Davenport, Russell; Curtis‐Jackson, Pippa; Dalkmann, Philipp; Davies, Jordan; Fenner, Kathrin; Hand, Laurence; McDonough, Kathleen; Ott, Amelie; Ortega‐Calvo, Jose Julio; Parsons, John R; Schäffer, Andreas; Sweetlove, Cyril; Trapp, Stefan; Wang, Neil; Redman, Aaron (2022). Scientific concepts and methods for moving persistence assessments into the 21st century. Integrated environmental assessment and management, 18(6):1454-1487.
  - Creazzo, Fabrizio; Ketkaew, Rangsiman; Sivula, Kevin; Luber, Sandra (2022). Effects of surface wettability on (001)-WO and (100)-WSe: A spin-polarized DFT-MD study. Applied Surface Science, 601:154203.
  - Lau, Yuen-Yee; Chen, Kangwei; Liu, Shanqiu; Reith, Lukas; Seeger, Stefan (2022). Silicone Nanofilament Coatings as Flexible Catalyst Supports for a Knoevenagel Condensation Reaction in Batch and Flow Systems. ACS Omega, 7(43):39463-39470.
  - Zheng, Zhaoju; Zeng, Yuan; Schuman, Meredith Christine; Jiang, Hailan; Schmid, Bernhard; Schaepman, Michael E; Morsdorf, Felix (2022). Individual tree-based vs pixel-based approaches to mapping forest functional traits and diversity by remote sensing. International Journal of Applied Earth Observation and Geoinformation, 114:103074.
  - Al-Wahaibi, Lamya H; Macías, Mario A; Blacque, Olivier; Zondagh, Luke S; Joubert, Jacques; Thamotharan, Subbiah; Percino, María Judith; Mohamed, Ahmed A B; El-Emam, Ali A (2022). Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 11β-HSD1 Molecular Docking and ADMET Prediction. Molecules, 27(21):7403.
  - Al-Wahaibi, Lamya H; Blacque, Olivier; Tiekink, Edward R T; El-Emam, Ali A (2022). Crystal structure of 2-(adamantan-1-yl)-5-(3,5-dinitrophenyl)-1,3,4-oxadiazole, C18H18N4O5. Zeitschrift für Kristallographie - New Crystal Structures, 237(5):821-823.
  - El-Emam, Ali A; Al-Wahaibi, Lamya H; Blacque, Olivier; Tiekink, Edward R T (2022). Crystal structure of 4-ethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-6-oxo-1,6-dihydropyrimidine-5-carbonitrile, C14H12N4O3S. Zeitschrift für Kristallographie - New Crystal Structures, 237(5):811-814.
  - Mlostoń, Grzegorz; Shermolovich, Yuriy; Heimgartner, Heinz (2022). Synthesis of Fluorinated and Fluoroalkylated Heterocycles Containing at Least One Sulfur Atom via Cycloaddition Reactions. Materials, 15:7244.
  - Hamdaoui, Mustapha; Liu, Fan; Cornaton, Yann; Lu, Xingyu; Shi, Xiaohuo; Zhang, Huan; Liu, Jiyong; Spingler, Bernhard; Djukic, Jean-Pierre; Duttwyler, Simon (2022). An Iridium-Stabilized Borenium Intermediate. Journal of the American Chemical Society, 144(40):18359-18374.
  - Knobloch, Marco C; Mathis, Flurin; Diaz, Oscar Mendo; Stalder, Urs; Bigler, Laurent; Kern, Susanne; Bleiner, Davide; Heeb, Norbert V (2022). Selective and Fast Analysis of Chlorinated Paraffins in the Presence of Chlorinated Mono-, Di-, and Tri-Olefins with the R-Based Automated Spectra Evaluation Routine (RASER). Analytical Chemistry, 94(40):13777-13784.
  - Riedo, Judith; Herzog, Chantal; Banerjee, Samiran; Fenner, Kathrin; Walder, Florian; van der Heijden, Marcel G A; Bucheli, Thomas D (2022). Concerted Evaluation of Pesticides in Soils of Extensive Grassland Sites and Organic and Conventional Vegetable Fields Facilitates the Identification of Major Input Processes. Environmental Science & Technology, 56(19):13686-13695.

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