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151.
David Bialas Christoph Brüning Dr. Felix Schlosser Dr. Benjamin Fimmel Johannes Thein Prof. Dr. Volker Engel Prof. Dr. Frank Würthner 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(42):15011-15018
The optical properties of a series of three cyclophanes comprising either identical or different perylene bisimide (PBI) chromophores were studied by UV/Vis absorption spectroscopy and their distinctive spectral features were analyzed. All the investigated cyclophanes show significantly different absorption features with respect to the corresponding constituent PBI monomers indicating strong coupling interactions between the PBI units within the cyclophanes. DFT calculations suggest a π‐stacked arrangement of the PBI units at close van der Waals distance in the cyclophanes with rotational displacement. Simulations of the absorption spectra based on time‐dependent quantum mechanics properly reproduced the experimental spectra, revealing exciton‐vibrational coupling between the chromophores both in homo‐ and heterodimer stacks. The PBI cyclophane comprising two different PBI chromophores represents the first example of a PBI heterodimer stack for which the exciton coupling has been investigated. The quantum dynamics analysis reveals that exciton coupling in heteroaggregates is indeed of similar strength as for homoaggregates. 相似文献
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153.
Paul Kautny Dorian Bader Dr. Berthold Stöger Prof. Dr. Georg A. Reider Prof. Dr. Johannes Fröhlich Dr. Daniel Lumpi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(52):18887-18898
To shed light on intramolecular charge‐transfer phenomena in 1,2,3‐triazole‐linked materials, a series of 1,2,3‐triazole‐linked push–pull chromophores were prepared and studied experimentally and computationally. Investigated modifications include variation of donor and/or acceptor strength and linker moiety as well as regioisomers. Photophysical characterization of intramolecular charge‐transfer features revealed ambipolar behavior of the triazole linker, depending on the substitution position. Furthermore, non‐centrosymmetric materials were subjected to second‐harmonic generation measurements, which revealed the high nonlinear optical activity of this class of materials. 相似文献
154.
Hydrophobicity‐Driven Self‐Assembly of an Eighteen‐Membered Honeycomb Lattice with Almost Classical Spins 下载免费PDF全文
Guo‐Jun Zhou Prof. Dr. Johannes Richter Prof. Dr. Jürgen Schnack Prof. Dr. Yan‐Zhen Zheng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(42):14846-14850
The design and synthesis of model compounds that do not exist naturally is one of the important targets in modern coordination chemistry. Herein, an eighteen‐membered honeycomb structure with equal numbers of MnII (s=5/2) and GdIII (s=7/2) metal centers has been prepared, for the first time, by using a hydrophobic force‐directed self‐assembling process. Due to the weakly coupled GdIII pairs, the magnetic properties are mainly determined by eight‐membered chains in the experimentally considered temperature range. These [Mn4Gd4] ”finite‐size“ chains, albeit with large Hilbert space, can be fully resolved by the high‐temperature series expansion and the powerful finite‐temperature Lanczos method, which reveal that the exchange‐couplings between the metal centers are antiferromagnetic and consistent with the magnetization measurement. Interestingly, from the surface‐engineering point of view, the [Mn4Gd4] chains are ”precisely“ assembled into a 2D honeycomb pattern, which is potentially desirable in the design of weakly coupled qubits. 相似文献
155.
Bioorthogonal Probes for the Study of MDM2‐p53 Inhibitors in Cells and Development of High‐Content Screening Assays for Drug Discovery 下载免费PDF全文
Pier Luca D'Alessandro Nicole Buschmann Markus Kaufmann Dr. Pascal Furet Frederic Baysang Reto Brunner Dr. Andreas Marzinzik Dr. Thomas Vorherr Dr. Therese‐Marie Stachyra Dr. Johannes Ottl Dr. Dimitrios E. Lizos Dr. Amanda Cobos‐Correa 《Angewandte Chemie (International ed. in English)》2016,55(52):16026-16030
To study the behavior of MDM2‐p53 inhibitors in a disease‐relevant cellular model, we have developed and validated a set of bioorthogonal probes that can be fluorescently labeled in cells and used in high‐content screening assays. By using automated image analysis with single‐cell resolution, we could visualize the intracellular target binding of compounds by co‐localization and quantify target upregulation upon MDM2‐p53 inhibition in an osteosarcoma model. Additionally, we developed a high‐throughput assay to quantify target occupancy of non‐tagged MDM2‐p53 inhibitors by competition and to identify novel chemical matter. This approach could be expanded to other targets for lead discovery applications. 相似文献
156.
The synthesis, spectroscopic, electrochemical and photophysical characterization of a series of dinuclear ruthenium(II) complexes of the type [(bpy)2Ru(NnN)2RuCl(bpy)2](PF6)3, where NnN = 4,4′‐bipyridyl (N0N), 1,2‐bis(4‐pyridyl)ethylene (NEN), 1,2‐bis(4‐pyridyl)ethane (N2N), and 4,4′‐trimethylenedipyridine (N3N) are reported. The photophysical and electrochemical properties are discussed with particular emphasis on the ability of the bridging ligands to support intercomponent interaction. 相似文献
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159.
Melissa S. Khn Serrano Tobias A. F. Knig Johannes S. Haataja Tina I. Lbling Holger Schmalz Seema Agarwal Andreas Fery Andreas Greiner 《Macromolecular rapid communications》2016,37(3):215-220
Gold nanoparticles (AuNP) with pyridyl end‐capped polystyrenes (PS‐4VP) as “quasi‐monodentate” ligands self‐assemble into ordered PS‐4VP/AuNP nanostructures with 3D hexagonal spatial order in the dried solid state. The key for the formation of these ordered structures is the modulation of the ratio AuNP versus ligands, which proves the importance of ligand design and quantity for the preparation of novel ordered polymer/metal nanoparticle conjugates. Although the assemblies of PS‐4VP/AuNP in dispersion lack in high dimensional order, strong plasmonic interactions are observed due to close contact of AuNP. Applying temperature as an external stimulus allows the reversible distortion of plasmonic interactions within the AuNP nanocomposite structures, which can be observed directly by naked eye. The modulation of the macroscopic optical properties accompanied by this structural distortion of plasmonic interaction opens up very interesting sensoric applications.
160.
Batyr Garlyyev Kathrin Kratzl Marlon Rück Jan Michali
ka Johannes Fichtner Jan M. Macak Tim Kratky Sebastian Günther Mirza Cokoja Aliaksandr S. Bandarenka Alessio Gagliardi Roland A. Fischer 《Angewandte Chemie (International ed. in English)》2019,58(28):9596-9600
High oxygen reduction (ORR) activity has been for many years considered as the key to many energy applications. Herein, by combining theory and experiment we prepare Pt nanoparticles with optimal size for the efficient ORR in proton‐exchange‐membrane fuel cells. Optimal nanoparticle sizes are predicted near 1, 2, and 3 nm by computational screening. To corroborate our computational results, we have addressed the challenge of approximately 1 nm sized Pt nanoparticle synthesis with a metal–organic framework (MOF) template approach. The electrocatalyst was characterized by HR‐TEM, XPS, and its ORR activity was measured using a rotating disk electrode setup. The observed mass activities (0.87±0.14 A mgPt?1) are close to the computational prediction (0.99 A mgPt?1). We report the highest to date mass activity among pure Pt catalysts for the ORR within similar size range. The specific and mass activities are twice as high as the Tanaka commercial Pt/C catalysis. 相似文献