Recent Publications

ZORA Publication List

Publications

• Journal Article

  • 2022

    • 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.
    • Betts, Harley D; Ong, Yih Ching; Anghel, Nicoleta; Keller, Sarah; Karges, Johannes; Voutsara, Niovi; Müller, Joachim; Manoury, Eric; Blacque, Olivier; Cariou, Kevin; Hemphill, Andrew; Gasser, Gilles (2022). Organometallic Derivatives of Decoquinate Targeted toward Toxoplasma gondii. Organometallics, 41(15):2035-2041.
    • Sauser, Luca; Kalvoda, Tadeáš; Kavas, Ayça; Rulíšek, Lubomír; Shoshan, Michal S (2022). Cyclic Octapeptides Composed of Two Glutathione Units Outperform the Monomer in Lead Detoxification. ChemMedChem, 17(15):e202200152.
    • Szponarski, Mathieu; Gademann, Karl (2022). Antibody Recognition of Cancer Cells via Glycan Surface Engineering. Chembiochem, 23(15):e202200125.
    • Buhrke, David; Michael, Norbert; Hamm, Peter (2022). Vibrational couplings between protein and cofactor in bacterial phytochrome Agp1 revealed by 2D-IR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America, 119(31):e2206400119.
    • Esmael Balaghi, S; Sologubenko, Alla S; Mehrabani, Somayeh; Patzke, Greta R; Najafpour, Mohammad Mahdi (2022). Molecular Mechanism of Copper-based Catalytic Reaction of Water Oxidation. In-situ Electrochemical Liquid Phase Transmission Electron Microscopy Study. Microscopy and Microanalysis, 28(S1):138-140.
    • Çalış, İhsan; Ünlü, Ayşe; Uğurlu Aydın, Zübeyde; Dönmez, Ali A; Soliman Yusufoğlu, Hasan; Jurt, Simon; Linden, Anthony (2022). Xanthones and Xanthone $\textit{O}$‐$\textit{β}$‐D‐Glucosides from the Roots of $\textit{Polygala azizsancarii}$ Dönmez. Chemistry & Biodiversity, 19(8):e202200499.
    • Feng, Sheng-Jan; Schumer, Frank; Vandaele, Eva; Meola, Giuseppe; Kradolfer, Flavia; Luber, Sandra; Spingler, Bernhard (2022). Synthesis of Mesodiphenylhelianthrene from 1-Aminoanthraquinone and the Structural Elucidation of Its Endoperoxide Species after Irradiation. Organic Letters, 24(29):5266-5270.
    • Girel, Sergey; Schütz, Vadim; Bigler, Laurent; Dörmann, Peter; Schulz, Margot (2022). Bioactive Nitrosylated and Nitrated N-(2-hydroxyphenyl)acetamides and Derived Oligomers: An Alternative Pathway to 2-Amidophenol-Derived Phytotoxic Metabolites. Molecules, 27(15):4786.
    • Čavlović, Daniel; Häussinger, Daniel; Blacque, Olivier; Ravat, Prince; Juricek, Michal (2022). Nonacethrene Unchained: A Cascade to Chiral Contorted Conjugated Hydrocarbon with Two sp3-Defects. JACS Au, 2(7):1616-1626.
    • Lewis, Nicholas H C; Dereka, Bogdan; Zhang, Yong; Maginn, Edward J; Tokmakoff, Andrei (2022). From Networked to Isolated: Observing Water Hydrogen Bonds in Concentrated Electrolytes with Two-Dimensional Infrared Spectroscopy. Journal of Physical Chemistry B, 126(28):5305-5319.
    • Shao, Feng; Wong, Jun Kit; Low, Qi Hang; Iannuzzi, Marcella; Li, Jingguo; Lan, Jinggang (2022). In situ spectroelectrochemical probing of CO redox landscape on copper single-crystal surfaces. Proceedings of the National Academy of Sciences of the United States of America, 119(29):e2118166119.
    • d'Orchymont, Faustine; Holland, Jason P (2022). Supramolecular Rotaxane-Based Multi-Modal Probes for Cancer Biomarker Imaging. Angewandte Chemie Internationale Edition, 61:e202204072.
    • Hoff, Lukas V; Chesnokov, Gleb A; Linden, Anthony; Gademann, Karl (2022). Mechanistic Studies and Data Science-Guided Exploration of Bromotetrazine Cross-Coupling. ACS Catalysis, 12:9226-9237.
    • Mališ, Momir; Vandaele, Eva; Luber, Sandra (2022). Spin–Orbit Couplings for Nonadiabatic Molecular Dynamics at the ΔSCF Level. Journal of Chemical Theory and Computation, 18(7):4082-4094.
    • Hehn, Anna-Sophia; Sertcan, Beliz; Belleflamme, Fabian; Chulkov, Sergey K; Watkins, Matthew B; Hutter, Jürg (2022). Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods. Journal of Chemical Theory and Computation, 18(7):4186-4202.
    • Schade, Robert; Kenter, Tobias; Elgabarty, Hossam; Lass, Michael; Schütt, Ole; Lazzaro, Alfio; Pabst, Hans; Mohr, Stephan; Hutter, Jürg; Kühne, Thomas D; Plessl, Christian (2022). Towards electronic structure-based ab-initio molecular dynamics simulations with hundreds of millions of atoms. Parallel Computing, 111:102920.
    • Liu, Shanqiu; Chen, Kangwei; Salim, Alma; Li, Jingguo; Bottone, Davide; Seeger, Stefan (2022). Printable and Versatile Superhydrophobic Paper via Scalable Nonsolvent Armor Strategy. ACS Nano, 16(6):9442-9451.
    • Woods, Joseph F; Gallego, Lucía; Pfister, Pauline; Maaloum, Mounir; Vargas Jentzsch, Andreas; Rickhaus, Michel (2022). Shape-assisted self-assembly. Nature Communications, 13:3681.
    • Morsby, Janeala J; Atkinson, Kirk M; Shradha Reddy Kommidi, Sai; Freel, Tristan; Janeková, Hana; Stacko, Peter; Smith, Bradley D (2022). Structure‐Activity Studies of Nitroreductase‐Responsive Near‐Infrared Heptamethine Cyanine Fluorescent Probes. European Journal of Organic Chemistry, 2022(23):e202200270.
    • Lan, Jinggang; Iannuzzi, Marcella (2022). Nuclear quantum effects at aqueous metal interfaces captured by molecular dynamics simulations. Current Opinion in Electrochemistry, 33:100934.
    • Desiante, Werner L; Carles, Louis; Wullschleger, Simon; Joss, Adriano; Stamm, Christian; Fenner, Kathrin (2022). Wastewater microorganisms impact the micropollutant biotransformation potential of natural stream biofilms. Water research, 217:118413.
    • Li, Xuecong; Yadav, Prerna; Spingler, Bernhard; Zelder, Felix Hubertus (2022). A CuII-Salicylidene Glycinato Complex for the Selective Fluorometric Detection of Homocysteine over 20 Proteinogenic Amino Acids. ChemistryOpen, 11(6):e202200106.
    • Prabhakar, Rajiv Ramanujam; Moehl, Thomas; Friedrich, Dennis; Kunst, Marinus; Shukla, Sudhanshu; Adeleye, Damilola; Damle, Vinayaka H; Siol, Sebastian; Cui, Wei; Gouda, Laxman; Suh, Jihye; Tischler, Yaakov R; van de Krol, Roel; Tilley, S David (2022). Sulfur-Treatment Passivates Bulk Defects in Sb2Se3 Photocathodes for Water Splitting. Advanced Functional Materials, 32(25):2112184.
    • Mlostoń, Grzegorz; Celeda, Malgorzata; Heimgartner, Heinz; Duda, Damian; Obijalska, Emilia; Jasiński, Marcin (2022). Synthesis and Selected Transformations of 2-Unsubstituted Imidazole N-Oxides Using a Ball-Milling Mechanochemical Approach. Catalysts, 12:589.
    • Tilley, S David (2022). Metal-like molecules. Nature Catalysis, 5(5):359-360.
    • Williams, Elyse T; Hartrampf, Nina (2022). DMCCB Basel Symposium 2022: Intrinsically Disordered Proteins as Drug Targets, Online, 31st January, 2022. Chimia, 76(5):493.
    • Herrero, Cecilia; Pauletti, Michela; Tocci, Gabriele; Iannuzzi, Marcella; Joly, Laurent (2022). Connection between water’s dynamical and structural properties: Insights from ab initio simulations. Proceedings of the National Academy of Sciences of the United States of America, 119(21):e2121641119.
    • Dereka, Bogdan; Lewis, Nicholas H C; Zhang, Yong; Hahn, Nathan T; Keim, Jonathan H; Snyder, Scott A; Maginn, Edward J; Tokmakoff, Andrei (2022). Exchange-Mediated Transport in Battery Electrolytes: Ultrafast or Ultraslow?. Journal of the American Chemical Society, 144(19):8591-8604.

Pagination