@article{22773, abstract = {{Ion beam irradiation of solid surfaces may result in the self-organized formation of well-defined topographic nanopatterns. Depending on the irradiation conditions and the material properties, isotropic or anisotropic patterns of differently shaped features may be obtained. Most intriguingly, the periodicities of these patterns can be adjusted in the range between less than twenty and several hundred nanometers, which covers the dimensions of many cellular and extracellular features. However, even though ion beam nanopatterning has been studied for several decades and is nowadays widely employed in the fabrication of functional surfaces, it has found its way into the biomaterials field only recently. This review provides a brief overview of the basics of ion beam nanopatterning, emphasizes aspects of particular relevance for biomaterials applications, and summarizes a number of recent studies that investigated the effects of such nanopatterned surfaces on the adsorption of biomolecules and the response of adhering cells. Finally, promising future directions and potential translational challenges are identified.}}, author = {{Yang, Yu and Keller, Adrian}}, issn = {{2076-3417}}, journal = {{Applied Sciences}}, pages = {{6575}}, title = {{{Ion Beam Nanopatterning of Biomaterial Surfaces}}}, doi = {{10.3390/app11146575}}, volume = {{11}}, year = {{2021}}, } @article{22926, abstract = {{Implant-associated infections are an increasingly severe burden on healthcare systems worldwide and many research activities currently focus on inhibiting microbial colonization of biomedically relevant surfaces. To obtain molecular-level understanding of the involved processes and interactions, we investigate the adsorption of synthetic adhesin-like peptide sequences derived from the type IV pili of the Pseudomonas aeruginosa strains PAK and PAO at abiotic model surfaces, i.e., Au, SiO2, and oxidized Ti. These peptides correspond to the sequences of the receptor-binding domain 128–144 of the major pilin protein, which is known to facilitate P. aeruginosa adhesion at biotic and abiotic surfaces. Using quartz crystal microbalance with dissipation monitoring (QCM-D), we find that peptide adsorption is material- as well as strain-dependent. At the Au surface, PAO(128–144) shows drastically stronger adsorption than PAK(128–144), whereas adsorption of both peptides is markedly reduced at the oxide surfaces with less drastic differences between the two sequences. These observations suggest that peptide adsorption is influenced by not only the peptide sequence, but also peptide conformation. Our results furthermore highlight the importance of molecular-level investigations to understand and ultimately control microbial colonization of surfaces.}}, author = {{Yang, Yu and Schwiderek, Sabrina and Grundmeier, Guido and Keller, Adrian}}, issn = {{2673-8023}}, journal = {{Micro}}, number = {{1}}, pages = {{129--139}}, title = {{{Strain-Dependent Adsorption of Pseudomonas aeruginosa-Derived Adhesin-like Peptides at Abiotic Surfaces}}}, doi = {{10.3390/micro1010010}}, volume = {{1}}, year = {{2021}}, } @article{23023, abstract = {{DNA origami nanostructures (DONs) are promising substrates for the single-molecule investigation of biomolecular reactions and dynamics by in situ atomic force microscopy (AFM). For this, they are typically immobilized on mica substrates by adding millimolar concentrations of Mg2+ ions to the sample solution, which enable the adsorption of the negatively charged DONs at the like-charged mica surface. These non-physiological Mg2+ concentrations, however, present a serious limitation in such experiments as they may interfere with the reactions and processes under investigation. Therefore, we here evaluate three approaches to efficiently immobilize DONs at mica surfaces under essentially Mg2+-free conditions. These approaches rely on the pre-adsorption of different multivalent cations, i.e., Ni2+, poly-l-lysine (PLL), and spermidine (Spdn). DON adsorption is studied in phosphate-buffered saline (PBS) and pure water. In general, Ni2+ shows the worst performance with heavily deformed DONs. For 2D DON triangles, adsorption at PLL- and in particular Spdn-modified mica may outperform even Mg2+-mediated adsorption in terms of surface coverage, depending on the employed solution. For 3D six-helix bundles, less pronounced differences between the individual strategies are observed. Our results provide some general guidance for the immobilization of DONs at mica surfaces under Mg2+-free conditions and may aid future in situ AFM studies.}}, author = {{Xin, Yang and Zargariantabrizi, Amir Ardalan and Grundmeier, Guido and Keller, Adrian}}, issn = {{1420-3049}}, journal = {{Molecules}}, pages = {{4798}}, title = {{{Magnesium-Free Immobilization of DNA Origami Nanostructures at Mica Surfaces for Atomic Force Microscopy}}}, doi = {{10.3390/molecules26164798}}, volume = {{26}}, year = {{2021}}, } @inproceedings{21717, author = {{Schmolke, Tobias and Teutenberg, Dominik and Meschut, Gerson and Meinderink, Dennis and Koch, Leon and Ebbert, Christoph and Grundmeier, Guido}}, location = {{Online Event}}, title = {{{Entwicklung einer Methode zur Bewertung einer stahlintensiven Mischbau-Klebverbindung eines Batteriegehäuses gegenüber mechanischer und medialer Belastung und Berücksichtigung der Interphasenstruktur}}}, year = {{2021}}, } @article{22220, abstract = {{Abstract Developing resource-abundant and sustainable metal-free bifunctional oxygen electrocatalysts is essential for the practical application of zinc–air batteries (ZABs). 2D black phosphorus (BP) with fully exposed atoms and active lone pair electrons can be promising for oxygen electrocatalysts, which, however, suffers from low catalytic activity and poor electrochemical stability. Herein, guided by density functional theory (DFT) calculations, an efficient metal-free electrocatalyst is demonstrated via covalently bonding BP nanosheets with graphitic carbon nitride (denoted BP-CN-c). The polarized PN covalent bonds in BP-CN-c can efficiently regulate the electron transfer from BP to graphitic carbon nitride and significantly promote the OOH* adsorption on phosphorus atoms. Impressively, the oxygen evolution reaction performance of BP-CN-c (overpotential of 350 mV at 10 mA cm−2, 90\% retention after 10 h operation) represents the state-of-the-art among the reported BP-based metal-free catalysts. Additionally, BP-CN-c exhibits a small half-wave overpotential of 390 mV for oxygen reduction reaction, representing the first bifunctional BP-based metal-free oxygen catalyst. Moreover, ZABs are assembled incorporating BP-CN-c cathodes, delivering a substantially higher peak power density (168.3 mW cm−2) than the Pt/C+RuO2-based ZABs (101.3 mW cm−2). The acquired insights into interfacial covalent bonds pave the way for the rational design of new and affordable metal-free catalysts.}}, author = {{Wang, Xia and Kormath Madam Raghupathy, Ramya and Querebillo, Christine Joy and Liao, Zhongquan and Li, Dongqi and Lin, Kui and Hantusch, Martin and Sofer, Zdeněk and Li, Baohua and Zschech, Ehrenfried and Weidinger, Inez M. and Kühne, Thomas and Mirhosseini, Hossein and Yu, Minghao and Feng, Xinliang}}, journal = {{Advanced Materials}}, keywords = {{2D materials, bifunctional oxygen electrocatalysts, black phosphorus, oxygen evolution reaction, zinc–air batteries}}, number = {{20}}, pages = {{2008752}}, title = {{{Interfacial Covalent Bonds Regulated Electron-Deficient 2D Black Phosphorus for Electrocatalytic Oxygen Reactions}}}, doi = {{https://doi.org/10.1002/adma.202008752}}, volume = {{33}}, year = {{2021}}, } @article{29700, abstract = {{We have carried out an extensive search for stable polymorphs of carbon nitride with C3N5 stoichiometry using the minima hopping method. Contrary to the widely held opinion that stacked{,} planar{,} graphite-like structures are energetically the most stable carbon nitride polymorphs for various nitrogen contents{,} we find that this does not apply for nitrogen-rich materials owing to the high abundance of N–N bonds. In fact{,} our results disclose novel morphologies with moieties not previously considered for C3N5. We demonstrate that nitrogen-rich compounds crystallize in a large variety of different structures due to particular characteristics of their energy landscapes. The newly found low-energy structures of C3N5 have band gaps within good agreement with the values measured in experimental studies.}}, author = {{Ghasemi, Alireza and Mirhosseini, Hossein and Kühne, Thomas}}, journal = {{Phys. Chem. Chem. Phys.}}, pages = {{6422--6432}}, publisher = {{The Royal Society of Chemistry}}, title = {{{Thermodynamically stable polymorphs of nitrogen-rich carbon nitrides: a C3N5 study}}}, doi = {{10.1039/D0CP06185A}}, volume = {{23}}, year = {{2021}}, } @article{23701, author = {{Schoppa, Timo and Jung, Dimitri and Rust, Tarik and Mulac, Dennis and Kuckling, Dirk and Langer, Klaus}}, issn = {{0378-5173}}, journal = {{International Journal of Pharmaceutics}}, publisher = {{Elsevier}}, title = {{{Light-responsive polymeric nanoparticles based on a novel nitropiperonal based polyester as drug delivery systems for photosensitizers in PDT}}}, doi = {{10.1016/j.ijpharm.2021.120326}}, volume = {{597}}, year = {{2021}}, } @article{23662, author = {{Rust, Tarik and Jung, Dimitri and Hoppe, Axel and Schoppa, Timo and Langer, Klaus and Kuckling, Dirk}}, issn = {{2637-6105}}, journal = {{ACS Applied Polymer Materials}}, number = {{8}}, pages = {{3831--3842}}, publisher = {{ACS}}, title = {{{Backbone-Degradable (Co-)Polymers for Light-Triggered Drug Delivery}}}, doi = {{10.1021/acsapm.1c00411}}, volume = {{3}}, year = {{2021}}, } @article{23699, author = {{Schmiegel, Carsten J. and Baier, Rene and Kuckling, Dirk}}, issn = {{1434-193X}}, journal = {{European Journal of Organic Chemistry}}, pages = {{2578--2586}}, publisher = {{Wiley-VCH}}, title = {{{Direct Asymmetric Aldol Reaction in Continuous Flow Using Gel‐Bound Organocatalysts}}}, doi = {{10.1002/ejoc.202100268}}, year = {{2021}}, } @article{31022, author = {{Abdelaty, Momen S. A. and Kuckling, Dirk}}, issn = {{0303-402X}}, journal = {{Colloid and Polymer Science}}, keywords = {{Materials Chemistry, Colloid and Surface Chemistry, Polymers and Plastics, Physical and Theoretical Chemistry}}, number = {{10}}, pages = {{1617--1629}}, publisher = {{Springer Science and Business Media LLC}}, title = {{{Altering of lower critical solution temperature of environmentally responsive poly (N-isopropylacrylamide-co-acrylic acid-co-vanillin acrylate) affected by acrylic acid, vanillin acrylate, and post-polymerization modification}}}, doi = {{10.1007/s00396-021-04882-x}}, volume = {{299}}, year = {{2021}}, } @article{31019, author = {{Watt, Fabian A. and Sieland, Benedikt and Dickmann, Nicole and Schoch, Roland and Herbst-Irmer, Regine and Ott, Holger and Paradies, Jan and Kuckling, Dirk and Hohloch, Stephan}}, issn = {{1477-9226}}, journal = {{Dalton Transactions}}, keywords = {{Inorganic Chemistry}}, number = {{46}}, pages = {{17361--17371}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Coupling of CO2 and epoxides catalysed by novel N-fused mesoionic carbene complexes of nickel(ii)}}}, doi = {{10.1039/d1dt03311e}}, volume = {{50}}, year = {{2021}}, } @article{23702, author = {{Schmiegel, Carsten J. and Berg, Patrik and Obst, Franziska and Schoch, Roland and Appelhans, Dietmar and Kuckling, Dirk}}, issn = {{1434-193X}}, journal = {{European Journal of Organic Chemistry}}, number = {{11}}, pages = {{1628--1636}}, publisher = {{Wiley-VCH}}, title = {{{Continuous Flow Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzenes with Gel‐Bound Catalysts}}}, doi = {{10.1002/ejoc.202100006}}, year = {{2021}}, } @article{23696, author = {{Jung, Dimitri and Rust, Tarik and Völlmecke, Katharina and Schoppa, Timo and Langer, Klaus and Kuckling, Dirk}}, issn = {{1759-9954}}, journal = {{Polymer Chemistry}}, pages = {{4565--4575}}, publisher = {{RSC}}, title = {{{Backbone vs. side-chain: two light-degradable polyurethanes based on 6-nitropiperonal}}}, doi = {{10.1039/d1py00442e}}, volume = {{12}}, year = {{2021}}, } @article{23698, author = {{Rodin, Maksim and Li, Jie and Kuckling, Dirk}}, issn = {{0306-0012}}, journal = {{Chemical Society Reviews}}, pages = {{8147--8177}}, publisher = {{RSC}}, title = {{{Dually cross-linked single networks: structures and applications}}}, doi = {{10.1039/d0cs01585g}}, volume = {{50}}, year = {{2021}}, } @article{33653, author = {{Gurinov, Andrei and Sieland, Benedikt and Kuzhelev, Andrey and Elgabarty, Hossam and Kühne, Thomas and Prisner, Thomas and Paradies, Jan and Baldus, Marc and Ivanov, Konstantin L. and Pylaeva, Svetlana}}, issn = {{1433-7851}}, journal = {{Angewandte Chemie International Edition}}, keywords = {{General Chemistry, Catalysis}}, number = {{28}}, pages = {{15371--15375}}, publisher = {{Wiley}}, title = {{{Mixed‐Valence Compounds as Polarizing Agents for Overhauser Dynamic Nuclear Polarization in Solids}}}, doi = {{10.1002/anie.202103215}}, volume = {{60}}, year = {{2021}}, } @article{34647, author = {{Brögelmann, T and Bobzin, K and Grundmeier, Guido and de los Arcos, T and Kruppe, N C and Schwiderek, S and Carlet, M}}, issn = {{0022-3727}}, journal = {{Journal of Physics D: Applied Physics}}, keywords = {{Surfaces, Coatings and Films, Acoustics and Ultrasonics, Condensed Matter Physics, Electronic, Optical and Magnetic Materials}}, number = {{3}}, publisher = {{IOP Publishing}}, title = {{{Durability of nanolayer Ti–Al–O–N hard coatings under simulated polycarbonate melt processing conditions}}}, doi = {{10.1088/1361-6463/ac2e31}}, volume = {{55}}, year = {{2021}}, } @article{34645, author = {{Tripathi, Tripurari Sharan and Wilken, Martin and Hoppe, Christian and de los Arcos, Teresa and Grundmeier, Guido and Devi, Anjana and Karppinen, Maarit}}, issn = {{1438-1656}}, journal = {{Advanced Engineering Materials}}, keywords = {{Condensed Matter Physics, General Materials Science}}, number = {{10}}, publisher = {{Wiley}}, title = {{{Atomic Layer Deposition of Copper Metal Films from Cu(acac) 2 and Hydroquinone Reductant}}}, doi = {{10.1002/adem.202100446}}, volume = {{23}}, year = {{2021}}, } @article{29699, author = {{Ghasemi, S. Alireza and Kühne, Thomas D.}}, journal = {{The Journal of Chemical Physics}}, number = {{7}}, pages = {{074107}}, title = {{{Artificial neural networks for the kinetic energy functional of non-interacting fermions}}}, doi = {{10.1063/5.0037319}}, volume = {{154}}, year = {{2021}}, } @article{33587, abstract = {{Abstract We performed a virtual materials screening to identify promising topological materials for photocatalytic water splitting under visible light irradiation. Topological compounds were screened based on band gap, band edge energy, and thermodynamics stability criteria. In addition, topological types for our final candidates were computed based on electronic structures calculated usingthe hybrid density functional theory including exact Hartree–Fock exchange. Our final list contains materials which have band gaps between 1.0 and 2.7 eV in addition to band edge energies suitable for water oxidation and reduction. However, the topological types of these compounds calculated with the hybrid functional differ from those reported previously. To that end, we discuss the importance of computational methods for the calculation of atomic and electronic structures in materials screening processes.}}, author = {{Ranjbar, Ahmad and Mirhosseini, Hossein and Kühne, Thomas D}}, issn = {{2515-7639}}, journal = {{Journal of Physics: Materials}}, keywords = {{Condensed Matter Physics, General Materials Science, Atomic and Molecular Physics, and Optics}}, number = {{1}}, publisher = {{IOP Publishing}}, title = {{{On topological materials as photocatalysts for water splitting by visible light}}}, doi = {{10.1088/2515-7639/ac363d}}, volume = {{5}}, year = {{2021}}, } @article{33643, abstract = {{The origin of strong interactions between water molecules and porous C2N surfaces is investigated by using a combination of model materials, volumetric physisorption measurements, solid-state NMR spectroscopy, and DFT calculations.}}, author = {{Heske, Julian Joachim and Walczak, Ralf and Epping, Jan D. and Youk, Sol and Sahoo, Sudhir K. and Antonietti, Markus and Kühne, Thomas and Oschatz, Martin}}, issn = {{2050-7488}}, journal = {{Journal of Materials Chemistry A}}, keywords = {{General Materials Science, Renewable Energy, Sustainability and the Environment, General Chemistry}}, number = {{39}}, pages = {{22563--22572}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{When water becomes an integral part of carbon – combining theory and experiment to understand the zeolite-like water adsorption properties of porous C2N materials}}}, doi = {{10.1039/d1ta05122a}}, volume = {{9}}, year = {{2021}}, }