Bartalucci E, Malär AA, Mehnert A, Kleine Büning JB, Günzel L, Icker M, Börner M, Wiebeler C, Meier BH, Grimme S, Kersting B, Wiegand T (2023) Probing a Hydrogen-π Interaction Involving a Trapped Water Molecule in the Solid State, Angew. Chem. Int. Ed., 62, e202217725.

Ellis J, Budker D, Cavagnero S, Chekmenev EY, Elliott SJ, Jannin S, Lesage A, Matysik J, Meersmann T, Prisner T, Reimer JA, Yang H, Koptyug IV (2023) Spin Hyperpolarization in Modern Magnetic Resonance, Chem. Rev., 123, 1417.

Matysik J, Köhler L, Gärtner W, Salvan G, Wiebeler C, Song C (2023) Photocycle of a cyanobacteriochrome: Charge defect on ring C impairs conjugation in chromophore, Chem. Sci., doi:10.1039/D3SC00636K.

Matsidik R, Komber H, Brinkmann M, Schellhammer KS, Ortmann F, Sommer M (2023) Evolution of Length-Dependent Properties of Discrete n-Type Oligomers Prepared via Scalable Direct Arylation, J. Am. Chem. Soc., 145, 8430.

Richter PK, Blázquez-Sánchez P, Zhao Z, Engelberger F, Wiebeler C, Künze G, Frank R, Krinke D, Frezzotti E, Lihanova Y, Falkenstein P, Matysik J, Zimmermann W, Sträter N, Sonnendecker C (2023) Structure and function of the metagenomic plastic-degrading polyester hydrolase PHL7 bound to its product, Nat. Commun., 14, 1905.

Thi Ngoc Ha N, Paltiel Y, Baczewski LT, Tegenkamp C (2023) Spin Polarization of Polyalanine Molecules in 2D and Dimer-Row Assemblies Adsorbed on Magnetic Substrates: The Role of Coupling, Chirality, and Coordination, ACS Appl. Mater. Interf., 15, 17406.

Vogelsberg E, Moors M, Sorokina AS, Ryndyk DA, Schmitz S, Freitag JS, Subbotina AV, Heine T, Abel B, Monakhov KY (2023) Solution-Processed Formation of DNA-Origami-Supported Polyoxometalate Multi-Level Switches with Countercation-Controlled Conductance Tunability, Chem. Mater., 35, 5447.

Werner I, Griebel J, Masip-Sánchez A, López X, Załęski K, Kozłowski P, Kahnt A, Boerner M, Warneke Z, Warneke J, Monakhov KY (2023) Hybrid Molecular Magnets with Lanthanide- and Countercation-Mediated Interfacial Electron Transfer between Phthalocyanine and Polyoxovanadate, Inorg. Chem., 62, 3761.


Altmayer S, Köhler L, Bielytskyi P, Gärtner W, Matysik J, Wiebeler C, Song C (2022) Light- and pH-dependent structural changes in cyanobacteriochrome AnPixJg2, J. Photochem. Photobiol. Sci. 21, 447.

Matysik J, Ding Y, Kim Y, Kurle P, Yurkovskaya A, Ivanov K, Alia A (2022) Photo-CIDNP in solid state (Review), Applied Magnetic Resonance 53, 521.

Morgenstern A, Thomas R, Sharma A, Weber M, Selyshchev O, Milekhin I, Dentel D, Gemming S, Tegenkamp C, Zahn DRT, Mehring M, Salvan G (2022) Deposition of nanosized amino acid functionalized bismuth oxido clusters on gold surfaces, Nanomaterials 12, 1815.

Nguyen TNH, Rasabathina L, Hellwig O, Sharma A, Salvan G, Yochelis S, Paltiel Y, Baczewski LT, Tegenkamp C (2022) Cooperative Effect of Electron Spin Polarization in Chiral Molecules Studied with Non-Spin-Polarized Scanning Tunneling Microscopy, ACS Applied Materials & Interfaces 14, 38013.

Rudolf S, Kaempf K, Vu O, Meiler J, Beck-Sickinger AG, Coin I (2022) Binding of Natural Peptide Ligands to the Neuropeptide Y5 Receptor. Angew. Chem. Int. Ed. 61, e202108738.

Stegerer D, Pracht M, Günther F, Sun H, Preis K, Zerson M, Maftuhin W, Tan WL, Kroon R, McNeill CR, Fabiano S, Walter M, Biskup T, Gemming S, Magerle R, Müller C, Sommer M (2022) Organogels from Diketopyrrolopyrrole Copolymer Ionene/Polythiophene Blends Exhibit Ground-State Single Electron Transfer in the Solid State. Macromolecules 55, 4979-4994.

Taube F, Günzel L, Kersting B, Monakhov KY, Corzilius B (2022). Novel paramagnetic metal polarizing agents for site-specific DNP. Poster presentation at EUROMAR 2022, Utrecht, and 43rd FGMR Annual Discussion Meeting, Karlsruhe.

Wöpke C, Göhler C, Saladina M, Du X, Nian L, Greve C, Zhu C, Yallum KM, Hofstetter YJ, Becker-Koch D, Li N, Heumüller T, Milekhin I, Zahn DRT, Brabec CJ, Banerji N, Vaynzof Y, Herzig EM, MacKenzie RCI, Deibel C (2022) Traps and transport resistance are the next frontiers for stable non-fullerene acceptor solar cells, Nature Commun. 13, 3786.


Adamczak D, Perinot A, Komber H, Illy A, Hultmark S, Passarella B, Scaccabarozzi AD, Hutsch S, Becker-Koch D, Vaynzof J, Ortmann F, Müller C, Caironi M, Sommer M (2021) Side chain-dependent properties of PIDTBT made by direct arylation polycondensation, J. Mater. Chem. C 9, 4597.

Anker AS, Christiansen T L, Weber M, Schmiele M, Brok E, Kjær ETS, Juhas P, Thomas R, Mehring M, Jensen KMØ (2021) Structural changes during the growth of atomically precise metal oxido nanoclusters from combined pair distribution function and small-angle X-ray scattering analysis, Angew. Chem. Int. Ed. 60, 20407.

Börner M, Klose J, Gutierrez Suburu ME, Strassert CA, Yang F, Monakhov KY, Abel B, Kersting B (2021) Synthesis and Characterisation of Luminescent [CrIII2L(μ-carboxylato)]3+ Complexes with High-Spin S=3 Ground States (L=N6S2 donor ligand), Chem. Eur. J. 27, 14899.

Elgeti M, Hubbell WL (2021) DEER analysis of GPCR conformational heterogeneity, Biomolecules 11, 778.

Günther FS, Lokamani M, Kilibarda F, Kelling J, Erbe A, Gemming S (2021) Simulations of the evolution of molecular binding in mechanically controlled break junctions, Program. Available from:

Henfling S, Kultaeva A, Pöppl A, Klose J, Kersting B, Domasevitch KV, Krautscheid H (2021) Proton and Electron Transfer in the Formation of a Copper Dithiolene-Based Coordination Polymer, Inorg. Chem. 60, 9008.

Hutsch S, Panhans M, Ortmann F (2021) Time-consistent hopping transport with vibration-mode-resolved electron-phonon couplings, Phys. Rev. B. 104, 054306.

Kilibarda F, Strobel A, Sendler T, Wieser M, Mortensen M, Brender Trads J, Helm M, Kerbusch J, Scheer E, Gemming S, Gothelf KV, Erbe A (2021) Single‐Molecule Doping: Conductance Changed By Transition Metal Centers in Salen Molecules. Adv. Electronic Mater. 7, 2100252.

Koehler Leman J, Lyskov S, Lewis SM, Adolf-Bryfogle J, Alford RF, Barlow K, Ben-Aharon Z, Farrell D, Fell J, Hansen WA, Harmalkar A, Jeliazkov J, Kuenze G, …, Meiler J, …, Bonneau R (2021) Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks. Nature Communications, 12, 6947.

Lokamani M, Kelling J, Ohmann R, Meyer J, Kühne T, Cuniberti G, … Moresco F, Gemming S (2021) Describing chain-like assembly of ethoxygroup-functionalized organic molecules on Au(111) using high-throughput simulations, Sci. Rep. 11, 14649.

Malär AA, Wili N, Völker LA, Kozlova MI, Cadalbert R, Däpp A, Weber ME, Zehnder J, Jeschke G, Eckert H, Böckmann A, Klose D, Mulkidjanian AY, Meier BH, Wiegand T, Spectroscopic glimpses of the transition state of ATP hydrolysis trapped in a bacterial DnaB helicase, Nat. Commun. 2021, 12, 5293.

Samad F, Hlawacek G, Arekapudi SSPK, Xu X, Koch L, Lenz M, Hellwig O (2021) Controlled and deterministic creation of synthetic antiferromagnetic domains by focused ion beam irradiation, Appl. Phys. Lett. 119, 022409.

Schmorl S, Naumov S, Abel B, Börner M, Pöppl A, Kersting B (2021) Metalloligands based on Robson-type aminothiophenolato macrocycles for assembly of heterotrimetallic complexes, Dalton. Trans., 50, 5784.

Schoeder CT, Schmitz S, Adolf-Bryfogle J, Sevy AM, Finn JA, Sauer MF, Bozhanova NG, Mueller BK, Sangha AK, Bonet J, Sheehan JH, Kuenze G, Marlow B, Smith ST, Woods H, Bender BJ, Martina CE, Del Alamo D, Kodali P, Gulsevin A, Schief WR, Correia BE, Crowe JE Jr, Meiler J, Moretti R (2021) Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design. Biochemistry 60, 825.

Setzer A, Esquinazi PD, Daikos O, Scherzer T, Pöppl A, Staacke R, Lühmann T, Pezzagna S, Knolle W, Buga SI, Abel B, Meijer J (2021) Weak electron irradiation suppresses the anomalous magnetization of N-doped diamond crystals, Phys. Status Solidi B 258, 2100395.

Stuckart M, Izarova NV, Glöß M, Klose J, Schmitz-Antoniak C, Kögerler P, Kersting B, Monakhov KY (2021) Insertion of VIV Ions into the Polyoxotungstate Archetype {As4W40}, Inorg. Chem. 60, 8437.

Ueltzen K, Schmitz S, Moors M, Glöß M, Börner M, Werner I, Warneke Z, Warneke J, Abel B, Monakhov KY (2021) Synthesis, structure, and surface adsorption characteristics of a polynuclear MnII,IV-YbIII complex. Inorg. Chem. 60, 10415.

Wang Q, Böckmann S, Günther F, Streiter M, Zerson M, Scaccabarozzi AD, Tan WL, Komber H, Deibel C, Magerle R, Gemming S, McNeill CR, Caironi M, Hansen MR, Sommer M (2021) Hydrogen bonds control single-chain conformation, crystallinity, and electron transport in isoelectronic diketopyrrolopyrrole copolymers. Chem. Mater. 33, 2635.

Wiebeler C, Vollbrecht J, Neuba A, Kitzerow HS, Schumacher S (2021) Unraveling the electrochemical and spectroscopic properties of neutral and negatively charged perylene tetraethylesters, Sci. Rep. 11, 16097.

Wong SY, Solov’yov IA, Hore PJ, Kattnig DR (2021) Nuclear polarization effects in cryptochrome-based magnetoreception, J. Phys. Chem. 154, 035102 (2021).

Wunderlich R, Staacke R, Knolle W, Abel B, Haase J, Meijer J (2021) Robust nuclear hyperpolarization driven by strongly coupled nitrogen vacancy centers, J. Appl. Phys. 130, 104301.

Xu J, Jarocha LE, Zollitsch T, Konowalczyk M, Henbest KB, Richert S, Golesworthy MJ, Schmidt J, Dejean V, Sowood DJC, Bassetto M, Luo J, Walton JR, Fleming J, Wei Y, Pitcher TL, Moise G, Herrmann M, Yin H, Wu H, Bartölke R, Käsehagen SJ, Horst S, Dautaj G, Murton PDF, Gehrckens AS, Chelliah Y, Takahashi JS, Koch KW, Weber S, Solov’yov IA, Xie C, Mackenzie SR, Timmel CR, Mouritsen H, Hore PJ (2021) Magnetic sensitivity of cryptochrome 4 from a migratory songbird, Nature 594, 535.

Zehnder J, Cadalbert R, Terradot L, Ernst M, Böckmann A, Guntert P, Meier BH, Wiegand T (2021) Paramagnetic solid-state NMR to localize the metal-ion cofactor in an oligomeric DnaB helicase, Chem. Eur. J. 27, 7745.

Zehnder J, Cadalbert R, Yulikov M, Kuenze G, Wiegand T (2021)Paramagnetic spin labeling of a bacterial DnaB helicase for solid-state NMR, J. Magn. Reson. 332, 107075.


Arockiam PB, Lennert U, Graf C, Rothfelder R, Scott DJ, Fischer TG, Zeitler K, Wolf R (2020) Versatile Visible-Light-Driven Synthesis of Asymmetrical Phosphines and Phosphonium Salts, Chem. Eur. J. 26, 16374.

Böttke T, Ernicke S, Serfling R, Ihling C, Burda E, Gurevich VV, Sinz A, Coin I (2020) Exploring GPCR arrestin interfaces with genetically encoded crosslinkers, EMBO Reports e50437.

Ding Y, Kiryutin AS, Zhao Z, Xu QZ, Zhao KH, Kurle P, Bannister S, Kottke T, Sagdeev RZ, Ivanov KL, Yurkovskaya AV, Matysik J (2020) Tailored flavoproteins acting as light‐driven spin machines pump nuclear hyperpolarization, Scientific Reports 10, 18658.

Gebreab KY, Zuberi Z, Eeza MNH, Matysik J, O’Shea KE, Alia A, Berry JP (2020) Comparative toxicometabolomics of perfluorooctanoic acid and next-generation perfluoroalkyl substances, Environmental Pollution 265, 114928.

Heiliger J, Matzel T, Cetiner EC, Schwalbe H, Kuenze G, Corzilius B (2020) Site-specific dynamic nuclear polarization in a Gd(III)-labeled protein, Phys. Chem. Chem. Phys. 22, 25455.

Janssen GJ, Eschenbach P, Kurle P, Bode BE, Neugebauer J, de Groot HJM, Matysik J, Alia A (2020) Analysis of the electronic asymmetry of the primary electron donor of photosystem I of Spirodela oligorrhiza by photo-CIDNP solid-state NMR, Magnetic Resonance 1, 261.

Koehler Leman J, Weitzner BD, Lewis SM, Adolf-Bryfogle J, Alam N, Alford RF, Aprahamian M, Baker D, Barlow KA, Barth P, …, Kuenze G, …, Meiler J, …, Bonneau R. (2020) Macromolecular modeling and design in Rosetta: recent methods and frameworks. Nature Methods 17(7), 665.

Koehler Leman J, Weitzner BD, Renfrew PD, Lewis SM, Moretti R, Watkins AM, Meiler J, et al. (2020) Better together: elements of successful scientific software development in a distributed collaborative community. PLoS Comp. Biol. 16, e1007507.

Langer A, Vu DNH, Gaedke M (2020) SolidRDP: applying solid data containers for research data publishing, ICWE2020, 12128, 399.

Lerch MT, Matt RA, Masureel M, Elgeti M, Kumar KK, Hilger D, Foys B, Kobilka BK, Hubbell WL (2020) Viewing rare conformations of the β2 adrenergic receptor with pressure-resolved DEER spectroscopy, Proc. Natl. Acad. Sci. U.S.A. 117, 31824.

Okano S, Sharma A, Ortmann F, Nishimura A, Günther C, Gordan OD, Ikushima K, Dzhagan V, Salvan G, Zahn DRT (2020) Voltage-controlled dielectric function of bilayer graphene, Adv. Optical Mater. 8, 2000861.

Saladina M, Simón Marqués P, Markina A, Karuthedath S, Wöpke C, Göhler C, Chen Y, Allain M, Blanchard P, Cabanetos C, Andrienko D, Laquai F, Gorenflot J, Deibel C (2020) Charge photogeneration in non-fullerene organic solar cells: influence of excess energy and electrostatic interactions, Adv. Funct. Mater. 2007479.

Sharma A, Hoffmann M A, Matthes P, Hellwig O, Kowol C, Schulz S E, Zahn DRT, Salvan G (2020) Crystallization of optically thick films of CoxFe80−xB20: Evolution of optical, magneto-optical, and structural properties, Phys. Rev. B 101, 054438.

Sharma A, Matthes P, Soldatov I, Arekapudi SSPK, Böhm B, Lindner M, Selyshchev O, Ha NTN, Mehring M, Tegenkamp C, Schulz SE, Zahn DRT, Paltiel Y, Hellwig O, Salvan G (2020) Control of magneto-optical properties of cobalt-layers by adsorption of α-helical polyalanine self-assembled monolayers, J. Mater. Chem. C 8, 11822.

Slawig D, Thi Ngoc Ha N, Yochelis S, Paltiel Y, Tegenkamp C (2020) Electronic transport through single polyalanine molecules, Phys. Rev. B 102, 115425.

Speckmeier E, Fuchs PJW, Zeitler K (2020) A synergistic LUMO lowering strategy using Lewis acid catalysis in water to enable photoredox catalytic, functionalizing C–C cross-coupling of styrenes, Chem. Sci.  9, 7096

Streiter M, Fischer T, Wiebeler C, Reichert S, Langenickel J, Zeitler K, Deibel C (2020) Impact of chlorine on the internal transition rates and excited states of the thermally delayed activated fluorescence molecule 3CzClIPN, J. Phys. Chem. C 124, 15007.

Thi Ngoc Ha N, Sharma D, Slawig D, Yochelis S, Paltiel Y, Zahn DRZ, Salvan G, Tegenkamp C (2020) Charge-ordered α-helical polypeptide monolayers on Au(111), J. Phys. Chem. C 124, 11075.

Weber M, Rüffer T, Speck F, Göhler F, Weimann DP, Schalley CA, Seyller T, Lang H, Mehring M (2020) From a cerium-doped polynuclear bismuth oxido cluster to β-Bi2O3:Ce, Inorg. Chem. 59, 3353.

Zeitler K, Neumann M (2020) Synergistic visible light photoredox catalysis, Phys. Sci. Rev.5, 20170173.