Recent Publications

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- 2023
  - Al-Wahaibi, Lamya H; Blacque, Olivier; Al-Shaalan, Nora H; Tiekink, Edward R T; El-Emam, Ali A (2023). Crystal structure of 2-({[5-(adamantan-2-yl)-2-sulfanylidene-1,3,4-oxadiazolidin-3-yl]methyl}amino)benzonitrile, C20H22N4OS. Zeitschrift für Kristallographie - New Crystal Structures, 238(2):159-161.
  - Zhang, Kai; Hope, Philip A; El Bitar Nehme, Mélissa; Linden, Anthony; Spingler, Bernhard; Rickhaus, Michel (2023). Azatriseptanes - strained framework analogs of [7,7,7]circulenes. Chemistry - A European Journal, 29(14):Epub ahead of print.
  - Rehm, Karoline; Vollenweider, Vera; Gu, Shaohua; Friman, Ville-Petri; Kümmerli, Rolf; Wei, Zhong; Bigler, Laurent (2023). Chryseochelins—structural characterization of novel citrate-based siderophores produced by plant protecting Chryseobacterium spp. Metallomics, 15(3):mfad008.
  - Schneider, Lukas; Kalt, Martina; Koch, Samuel; Sithamparanathan, Shanmugi; Villiger, Veronika; Mattiat, Johann; Kradolfer, Flavia; Slyshkina, Ekaterina; Luber, Sandra; Bonmarin, Mathias; Maake, Caroline; Spingler, Bernhard (2023). BODIPY-Based Photothermal Agents with Excellent Phototoxic Indices for Cancer Treatment. Journal of the American Chemical Society, 145(8):4534-4544.
  - Linden, Anthony; Bucher, Christoph B; Gubler, Ralf; Villalgordo, José M; Heimgartner, Heinz (2023). Synthesis and crystal structures of new chiral 3-amino-2<i>H</i>-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.
  - Alzeer, Jawad (2023). The Role of Buffers in Establishing a Balance of Homeostasis and Maintaining Health. American Journal of Medicinal Chemistry, 4(1):online.
  - 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.
  - 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.
  - Zhang, Kai; El Bitar Nehme, Mélissa; Hope, Philip A; Rickhaus, Michel (2023). Synthesizing Strained Azatriseptane Frameworks. Helvetica Chimica Acta:Epub ahead of print.
  - 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.
  - 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.
  - 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.

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