Recent Publications

ZORA Publication List

Publications

Journal Article
- 2023
  - 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.
  - Geckeler, Christian; Ramos, Sergio E; Schuman, Meredith Christine; Mintchev, Stefano (2023). Robotic volatile sampling for early detection of plant stress. IEEE Robotics and Automation Magazine:Epub ahead of print.
- 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.
  - Alzeer, Jawad (2022). Directionality of Chemical Reaction and Spontaneity of Biological Process in the Context of Entropy. International Journal of Regenerative Medicine, 5(2):online.
  - 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.
  - Fay, Rachael; Törő, Imre; Schinke, Anna-Lena; Simic, Branko; Schaefer, Jonas V; Dreier, Birgit; Plückthun, Andreas; Holland, Jason P (2022). Sortase-Mediated Site-Specific Conjugation and 89Zr-Radiolabeling of Designed Ankyrin Repeat Proteins for PET. Molecular Pharmaceutics, 19(10):3576-3585.
  - Cruz, Carlos M; Walsh, Joshua C; Juricek, Michal (2022). Bending Pyrenacenes to Fill Gaps in Singlet-Fission-Based Solar Cells. Organic Materials, 4(04):163-169.
  - Chen, Kangwei; Liu, Shanqiu; Lau, Yuen‐Yee; Seeger, Stefan (2022). One-Step Synthesis of Dynamically Shaped Stiff Nanorods Using Soft Silicone Materials to Control Water Repulsion and Collection. Small, 18(40):2203820.
  - Zhao, Yonggui; Wan, Wenchao; Dongfang, Nanchen; Triana, Carlos A; Douls, Lewis; Huang, Chong; Erni, Rolf; Iannuzzi, Marcella; Patzke, Greta R (2022). Optimized NiFe-Based Coordination Polymer Catalysts: Sulfur-Tuning and Operando Monitoring of Water Oxidation. ACS Nano, 16(9):15318-15327.
  - Al-Wahaibi, Lamya H; Karthikeyan, Sekar; Blacque, Olivier; El-Masry, Amal A; Hassan, Hanan M; Percino, M Judith; El-Emam, Ali A; Thamotharan, Subbiah (2022). Structural and Energetic Properties of Weak Noncovalent Interactions in Two Closely Related 3,6-Disubstituted-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Derivatives: In Vitro Cyclooxygenase Activity, Crystallography, and Computational Investigations. ACS Omega, 7(38):34506-34520.
  - Dhankhar, Jyoti; Hofer, Micha D; Linden, Anthony; Coric, Ilija (2022). Site‐Selective C−H Arylation of Diverse Arenes Ortho to Small Alkyl Groups. Angewandte Chemie Internationale Edition, 61(39):e202205470.
  - Manfroni, Giacomo; Spingler, Bernhard; Prescimone, Alessandro; Constable, Edwin C; Housecroft, Catherine E (2022). Multitopic 3,2′:6′,3′′-terpyridine ligands as 4-connecting nodes in two-dimensional 4,4-networks. CrystEngComm, 24(40):7073-7082.
  - Shoshan, Michal S (2022). Will Short Peptides Revolutionize Chelation Therapy?. Chimia, 76(9):744.
  - Mattern, Annabelle; Habermann, Sebastian; Zegke, Markus; Wickleder, Mathias Siegfried; Alberto, Roger (2022). High-Yield 99mTc Labeling of Gold Nanoparticles Carrying Atropine and Adrenaline. Bioconjugate Chemistry, 33(9):1741-1749.
  - Janeková, Hana; Russo, Marina; Stacko, Peter (2022). Cyanine Renaissance: Tailoring the Properties to Applications. Chimia, 76(9):763.
  - Dhankhar, Jyoti; Coric, Ilija (2022). Direct C–H Arylation. Chimia, 76(9):777.
  - Rickhaus, Michel (2022). Visual Anatomy of an Article – Lessons Learned and Taught in Five Figures. Chimia, 76(9):748.
  - Götz, Markus; Barth, Anders; Bohr, Søren S -R; Börner, Richard; et al; Hadzic, Mélodie C A S; Sigel, Roland K O (2022). A blind benchmark of analysis tools to infer kinetic rate constants from single-molecule FRET trajectories. Nature Communications, 13:5402.
  - Mattiat, Johann; Luber, Sandra (2022). Comparison of Length, Velocity, and Symmetric Gauges for the Calculation of Absorption and Electric Circular Dichroism Spectra with Real-Time Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation, 18(9):5513-5526.
  - Weder, Nicola; Grundmann, Nora S; Probst, Benjamin; Blacque, Olivier; Ketkaew, Rangsiman; Creazzo, Fabrizio; Luber, Sandra; Alberto, Roger (2022). Two Novel Dinuclear Cobalt Polypyridyl Complexes in Electro- and Photocatalysis for Hydrogen Production: Cooperativity Increases Performance. ChemSusChem, 15(17):e202201049.
  - Mukiza, Janvier; Braband, Henrik; Bolliger, Robin; Nadeem, Qaisar; Habarurema, Gratien; Sezirahiga, Jurdas; Uwambajineza, Tite; Fox, Thomas; Blacque, Olivier; Alberto, Roger (2022). Complexes of orotic acid and derivatives with the fac-[M(CO)3]+ (M = Re and 99Tc/99mTc) core as radiopharmaceutical probes. Inorganica Chimica Acta, 539:121037.
  - Gallego, Lucía; Woods, Joseph F; Rickhaus, Michel (2022). Recent Concepts for Supramolecular 2D Materials. Organic Materials, 4(03):137-145.
  - Ditler, Edward; Luber, Sandra (2022). Vibrational spectroscopy by means of first-principles molecular dynamics simulations. Wiley Interdisciplinary Reviews. Computational Molecular Science, 12(5):e1605.
  - Heckmeier, Philipp J; Ruf, Jeannette; Buhrke, David; Janković, Brankica G; Hamm, Peter (2022). Signal Propagation Within the MCL-1/BIM Protein Complex. Journal of Molecular Biology, 434(17):167499.
  - McFadden, Ryan M L; Szunyogh, Dániel; Bravo‐Frank, Nicholas; Johannsen, Silke; Sigel, Roland K O; et al (2022). Magnesium(II)-ATP Complexes in 1-Ethyl-3-Methylimidazolium Acetate Solutions Characterized by 31Mg β-Radiation-Detected NMR Spectroscopy. Angewandte Chemie Internationale Edition, 61(35):e202207137.
  - Wu Klingler, Wenyu; Giger, Nadine; Schneider, Lukas; Babu, Vipin; König, Christiane; Spielmann, Patrick; Wenger, Roland H; Ferrari, Stefano; Spingler, Bernhard (2022). Low-Dose Near-Infrared Light-Activated Mitochondria-Targeting Photosensitizers for PDT Cancer Therapy. International Journal of Molecular Sciences, 23(17):9525.
  - Töpfer, Kai; Pasti, Andrea; Das, Anuradha; Salehi, Seyedeh Maryam; Vazquez-Salazar, Luis Itza; Rohrbach, David; Feurer, Thomas; Hamm, Peter; Meuwly, Markus (2022). Structure, Organization, and Heterogeneity of Water-Containing Deep Eutectic Solvents. Journal of the American Chemical Society, 144(31):14170-14180.

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