Recent Publications

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Journal Article
- 2021
  - Baumann, Noah; Lan, Jinggang; Iannuzzi, Marcella (2021). CO2 adsorption on the pristine and reduced CeO2 (111) surface: Geometries and vibrational spectra by first principles simulations. Journal of Chemical Physics, 154(9):094702.
  - Heidari, Sima; Balaghi, S Esmael; Sologubenko, Alla S; Patzke, Greta R (2021). Economic Manganese-Oxide-Based Anodes for Efficient Water Oxidation: Rapid Synthesis and In Situ Transmission Electron Microscopy Monitoring. ACS Catalysis, 11(5):2511-2523.
  - Klingler, Simon; Holland, Jason P (2021). Computational studies on the Carboni-Lindsey reaction. Computational and Theoretical Chemistry, 1197:113161.
  - Laroche, Alexandre; Bottone, Davide; Seeger, Stefan; Bonaccurso, Elmar (2021). Silicone nanofilaments grown on aircraft alloys for low ice adhesion. Surface and Coatings Technology, 410:126971.
  - Hassell‐Hart, Storm; Picaud, Sarah; Lengacher, Raphael; Csucker, Joshua; Millet, Regis; Gasser, Gilles; Alberto, Roger; Maple, Hannah; Felix, Robert; Leśnikowski, Zbigniew J; Stewart, Helen J S; Chevassut, Timothy J; Morley, Simon; Filippakopoulos, Panagis; Spencer, John (2021). Probing BRD Inhibition Substituent Effects in Bulky Analogues of (+)‐JQ1. Helvetica Chimica Acta, 104(3):e2000214.
  - Yang, Wooseok; Moehl, Thomas; Service, Erin; Tilley, S David (2021). Operando Analysis of Semiconductor Junctions in Multi‐Layered Photocathodes for Solar Water Splitting by Impedance Spectroscopy. Advanced Energy Materials, 11(9):2003569.
  - Tek, Gökçen; Hamm, Peter (2021). Transient CO desorption from thin Pt films induced by mid-IR pumping. Journal of Chemical Physics, 154(8):084706.
  - Genoux, Alexandre; Biedrzycki, Michał; Merino, Estíbaliz; Rivera‐Chao, Eva; Linden, Anthony; Nevado, Cristina (2021). Synthesis and Characterization of Bidentate (P^N)Gold(III) Fluoride Complexes: Reactivity Platforms for Reductive Elimination Studies. Angewandte Chemie Internationale Edition, 60(8):4164-4168.
  - Padrutt, Roxane; Babu, Vipin; Klingler, Simon; Kalt, Martina; Schumer, Frank; Anania, Maria I; Schneider, Lukas; Spingler, Bernhard (2021). Highly Phototoxic Transplatin‐Modified Distyryl‐BODIPY Photosensitizers for Photodynamic Therapy. ChemMedChem, 16(4):694-701.
  - Fukutani, Tomonori; Miyazawa, Kohei; Iwata, Satoru; Satoh, Hiroko (2021). G-RMSD: Root Mean Square Deviation Based Method for Three-dimensional Molecular Similarity Determination. The Chemical Society of Japan. Bulletin, 94(2):655-665.
  - Han, Ruocheng; Rodríguez-Mayorga, Mauricio; Luber, Sandra (2021). A Machine Learning Approach for MP2 Correlation Energies and Its Application to Organic Compounds. Journal of Chemical Theory and Computation, 17(2):777-790.
  - Cavender-Bares, Jeannine; Reich, Peter; Townsend, Philip; Banerjee, Arindam; Butler, Ethan; Desai, Ankur; Gevens, Amanda; Hobbie, Sarah; Isbell, Forest; Laliberté, Etienne; Meireles, José Eduardo; Menninger, Holly; Pavlick, Ryan; Pinto-Ledezma, Jesús; Potter, Caitlin; Schuman, Meredith; Springer, Nathan; Stefanski, Artur; Trivedi, Pankaj; Trowbridge, Amy; Williams, Laura; Willis, Charles; Yang, Ya (2021). BII-Implementation: The causes and consequences of plant biodiversity across scales in a rapidly changing world. Research Ideas and Outcomes: The Open Science Journal, 7:e63850.
  - Naef, Noah U; Seeger, Stefan (2021). Immobilization of Candida antarctica Lipase B on Silicone Nanofilaments. Journal of Nanomaterials, 2021:8812240.
  - Mlostoń, Grzegorz; Wreczycki, Jakub; Urbaniak, Katarzyna; Bielinski, Dariusz M; Heimgartner, Heinz (2021). The Fluoride Anion-Catalyzed Sulfurization of Thioketones with Elemental Sulfur Leading to Sulfur-Rich Heterocycles: First Sulfurization of Thiochalcones. Molecules, 26:822.
  - Earley, Daniel F; Guillou, Amaury; van der Born, Dion; Poot, Alex J; Holland, Jason P (2021). Microfluidic Preparation of 89Zr-Radiolabelled Proteins by Flow Photochemistry. Molecules, 26(3):764.
  - Mukiza, Janvier; Braband, Henrik; Bolliger, Robin; Blacque, Olivier; Alberto, Roger; Nkurunziza, Jean Baptiste (2021). A novel benzoylthiourea derivative with a triazinethione moiety: Synthesis and coordination with the organometallic fac-[Re(CO)3]+ core. Inorganica Chimica Acta, 516:120116.
  - Karges, Johannes; Xiong, Kai; Blacque, Olivier; Chao, Hui; Gasser, Gilles (2021). Highly cytotoxic copper(II) terpyridine complexes as anticancer drug candidates. Inorganica Chimica Acta, 516:120137.
  - Martin, Sebastian; Maus, Stephan; Stemler, Tobias; Rosar, Florian; Khreish, Fadi; Holland, Jason P; Ezziddin, Samer; Bartholomä, Mark D (2021). Proof-of-Concept Study of the NOTI Chelating Platform: Preclinical Evaluation of 64Cu-Labeled Mono- and Trimeric c(RGDfK) Conjugates. Molecular Imaging and Biology, 23(1):95-108.
  - Fernandez-Teran, Ricardo; Sévery, Laurent (2021). Living Long and Prosperous: Productive Intraligand Charge-Transfer States from a Rhenium(I) Terpyridine Photosensitizer with Enhanced Light Absorption. Inorganic Chemistry, 60(3):1334-1343.
  - Fernández-Terán, Ricardo J; Sévery, Laurent (2021). Coordination Environment Prevents Access to Intraligand Charge-Transfer States through Remote Substitution in Rhenium(I) Terpyridinedicarbonyl Complexes. Inorganic Chemistry, 60(3):1325-1333.
  - Ohno, Koichi; Kishimoto, Naoki; Iwamoto, Takeaki; Satoh, Hiroko; Watanabe, Hiromasa (2021). High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H5C2NO2. Journal of Computational Chemistry, 42(3):192-204.
  - Cun, Huanyao; Miao, Zichun; Hemmi, Adrian; Al-Hamdani, Yasmine; Iannuzzi, Marcella; Osterwalder, Jürg; Altman, Michael S; Greber, Thomas (2021). High-quality hexagonal boron nitride from 2D distillation. ACS Nano, 15(1):1351-1357.
  - Shalit, Andrey; Mousavi, Seyyed Jabbar; Hamm, Peter (2021). 2D Raman–THz Spectroscopy of Binary CHBr3–MeOH Solvent Mixture. Journal of Physical Chemistry B, 125(2):581-586.
  - Cuesta‐Galisteo, Sergio; Schörgenhumer, Johannes; Wei, Xiaofeng; Merino, Estíbaliz; Nevado, Cristina (2021). Nickel‐Catalyzed Asymmetric Synthesis of α‐Arylbenzamides. Angewandte Chemie Internationale Edition, 60(3):1605-1609.
  - Alzeer, Jawad (2021). Permissible Medicine and Rationalization of Halal Pharma. Halalsphere, 1(1):43-52.
  - Mattiat, Johann; Luber, Sandra (2021). Time Domain Simulation of (Resonance) Raman Spectra of Liquids in the Short Time Approximation. Journal of Chemical Theory and Computation, 17(1):344-356.
  - Buhrke, David (2021). The impact of chromophore choice on the assembly kinetics and primary photochemistry of a red/green cyanobacteriochrome. Physical Chemistry Chemical Physics (PCCP), 23(37):20867-20874.
  - Carpine, Roberta; Sieber, Simon (2021). Antibacterial and antiviral metabolites from cyanobacteria: Their application and their impact on human health. Current Research in Biotechnology, 3:65-81.
  - Kama, Dumisani V; Frei, Angelo; Schutte-Smith, Marietjie; Brink, Alice; Swart, Chantel; Braband, Henrik; Alberto, Roger; Roodt, Andreas (2021). Exploring preliminary structural relationships and mitochondrial targeting of fac-[MI(CO)3]-bis(diarylphosphino)alkylamine complexes (M = 99Tc, Re). New Journal of Chemistry, 45(47):22141-22149.
  - Kama, Dumisani V; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas (2021). New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M = 99Tc, Re). Dalton Transactions, 50(47):17506-17514.
  - Guda, Alexander; Windisch, Johannes; Probst, Benjamin; van Bokhoven, Jeroen A; Alberto, Roger; Nachtegaal, Maarten; Chen, Lin X; Smolentsev, Grigory (2021). Excited-state structure of copper phenanthroline-based photosensitizers. Physical Chemistry Chemical Physics (PCCP), 23(47):26729-26736.
  - Pullen, Sonja; Hegmans, Alexander; Hiller, Wolf G; Platzek, André; Freisinger, Eva; Lippert, Bernhard (2021). On the Heterogeneous Nature of Cisplatin‐1‐Methyluracil Complexes: Coexistence of Different Aggregation Modes and Partial Loss of NH 3 Ligands as Likely Explanation. ChemistryOpen, 10(1):28-45.
  - Yadav, Prerna; Zelder, Felix (2021). Detection of glyphosate with a copper(ii)-pyrocatechol violet based GlyPKit. Analytical Methods, 13(38):4354-4360.
  - Nandy, Swarnava; Wu, Qianbao; Tilley, S David; Cui, Chunhua (2021). Improved water oxidation with metal oxide catalysts via a regenerable and redox-inactive ZnOxHy overlayer. Chemical Communications, 57(79):10230-10233.
  - Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles; Alberto, Roger (2021). Organometallic small molecule kinase inhibitors – direct incorporation of Re and 99mTc into Opaganib®. Chemical Communications, 57(98):13349-13352.
  - Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O (2021). Synthetic control over polymorph formation in the d-band semiconductor system FeS2. Chemical Science, 12(41):13870-13877.
  - Brenig, Christopher; Mosberger, Leila; Blacque, Olivier; Kissner, Reinhard; Zelder, Felix (2021). Reversible metal-centered reduction empowers a Ni-Corrin to mimic F430. Chemical Communications, 57(59):7260-7263.
  - Güttinger, Robin; Wiprächtiger, Giann; Blacque, Olivier; Patzke, Greta R (2021). Co/Ni-polyoxotungstate photocatalysts as precursor materials for electrocatalytic water oxidation. RSC Advances, 11(19):11425-11436.
  - Bussy, Augustin; Hutter, Jürg (2021). Efficient and low-scaling linear-response time-dependent density functional theory implementation for core-level spectroscopy of large and periodic systems. Physical Chemistry Chemical Physics (PCCP), 23(8):4736-4746.
  - Oppelt, Kerstin T; Sevéry, Laurent; Utters, Mirjam; Tilley, S David; Hamm, Peter (2021). Flexible to rigid: IR spectroscopic investigation of a rhenium-tricarbonyl-complex at a buried interface. Physical Chemistry Chemical Physics (PCCP), 23(7):4311-4316.
  - Ruf, Jeannette; Hamm, Peter; Buhrke, David (2021). Needles in a haystack: H-bonding in an optogenetic protein observed with isotope labeling and 2D-IR spectroscopy. Physical Chemistry Chemical Physics (PCCP), 23(17):10267-10273.
  - Kutus, Bence; Shalit, Andrey; Hamm, Peter; Hunger, Johannes (2021). Dielectric response of light, heavy and heavy-oxygen water: isotope effects on the hydrogen-bonding network's collective relaxation dynamics. Physical Chemistry Chemical Physics (PCCP), 23(9):5467-5473.
  - Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D; Herbert, David E; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed (2021). Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies. CrystEngComm, 23(36):6322-6339.
  - Li, J; Triana, Carlos A; Wan, W; Adiyeri Saseendran, D P; Zhao, Y; Balaghi, S Esmael; Heidari, S; Patzke, G R (2021). Molecular and heterogeneous water oxidation catalysts: recent progress and joint perspectives. Chemical Society reviews, 50(4):2444-2485.
  - Witteveen, Catherine; Górnicka, Karolina; Chang, Johan; Månsson, Martin; Klimczuk, Tomasz; von Rohr, Fabian O (2021). Polytypism and superconductivity in the NbS2 system. Dalton Transactions, 50(9):3216-3223.
  - Kappenthuler, Steve; Seeger, Stefan (2021). Holistic evaluation of the suitability of metal alloys for sustainable marine construction from a technical, economic and availability perspective. Ocean Engineering, 219:108378.
  - Rehm, Karoline; Hankele, A K; Ulbrich, S E; Bigler, Laurent (2021). Simultaneous quantification of progestogens in plasma and serum by UHPLC-HRMS employing multiplexed targeted single ion monitoring. Talanta, 232:122358.
Book Section
- 2022
  - Ahunbay, Esra; Steffen, Fabio D; Zelger-Paulus, Susann; Sigel, Roland K O (2022). Chemical Dual End-Labeling of Large Ribozymes. In: Steger, Gerhard; Rosenbach, Hannah; Span, Ingrid. DNAzymes : Methods and Protocols. New York: Springer, 191-204.
  - Hadzic, Mélodie C A S; Sigel, Roland K O; Börner, Richard (2022). Single-Molecule Kinetic Studies of Nucleic Acids by Förster Resonance Energy Transfer. In: Steger, Gerhard; Rosenbach, Hannah; Span, Ingrid. DNAzymes : Methods and Protocols. New York: Springer, 173-190.
  - Fazliji, Besim; Ferreira Rodrigues, Carla; Wang, Haibo; Sigel, Roland K O (2022). Metal ion interactions with nucleic acids. In: Black, David. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering / 2022. Waltham, MA: Elsevier, online.

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