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41.
Anna Zieleniewska Prof. Dr. Dirk M. Guldi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(41):9602-9607
At the focal point of this work is the photophysical characterization of three meso–meso ethene-bridged diporphyrins featuring a diverse metallation pattern. Detailed investigations by means of cyclic voltammetry, absorption, fluorescence, and femto-/nanosecond transient absorption spectroscopy revealed the impact of open-shell nickel(II) on the electronic communication in ethene-bridged heterobimetallic diporphyrins. 相似文献
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Dr. James Biggs Dr. Karsten Danielmeier Dr. Julia Hitzbleck Dr. Jens Krause Tom Kridl Dr. Stephan Nowak Dr. Enrico Orselli Dr. Xina Quan Dirk Schapeler Will Sutherland Dr. Joachim Wagner 《Angewandte Chemie (International ed. in English)》2013,52(36):9409-9421
We present the development and applications of dielectric elastomers. For the last 10 years the significance of this class of polymers has risen as more applications seem possible and first products have been commercialized. 相似文献
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Dirk Steinhilber Torsten Rossow Dr. Stefanie Wedepohl Florian Paulus Dr. Sebastian Seiffert Prof. Dr. Rainer Haag 《Angewandte Chemie (International ed. in English)》2013,52(51):13538-13543
pH‐Cleavable cell‐laden microgels with excellent long‐term viabilities were fabricated by combining bioorthogonal strain‐promoted azide–alkyne cycloaddition (SPAAC) and droplet‐based microfluidics. Poly(ethylene glycol)dicyclooctyne and dendritic poly(glycerol azide) served as bioinert hydrogel precursors. Azide conjugation was performed using different substituted acid‐labile benzacetal linkers that allowed precise control of the microgel degradation kinetics in the interesting pH range between 4.5 and 7.4. By this means, a pH‐controlled release of the encapsulated cells was achieved upon demand with no effect on cell viability and spreading. As a result, the microgel particles can be used for temporary cell encapsulation, allowing the cells to be studied and manipulated during the encapsulation and then be isolated and harvested by decomposition of the microgel scaffolds. 相似文献
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Dr. Mostakim SK Dr. Soumitra Barman Shounik Paul Ratnadip De Dr. S. S. Sreejith Dr. Helge Reinsch Dr. Maciej Grzywa Dr. Norbert Stock Prof. Dr. Dirk Volkmer Dr. Shyam Biswas Prof. Dr. Soumyajit Roy 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(12):4098-4107
A Zr-based metal-organic framework has been synthesized and employed as a catalyst for photochemical carbon dioxide reduction coupled with water oxidation. The catalyst shows significant carbon dioxide reduction property with concomitant water oxidation. The catalyst has broad visible light as well as UV light absorption property, which is further confirmed from electronic absorption spectroscopy. Formic acid was the only reduced product from carbon dioxide with a turn-over frequency (TOF) of 0.69 h−1 in addition to oxygen, which was produced with a TOF of 0.54 h−1. No external photosensitizer is used and the ligand itself acts as the light harvester. The efficient and selective photochemical carbon dioxide reduction to formic acid with concomitant water oxidation using Zr-based MOF as catalyst is thus demonstrated here. 相似文献
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In this contribution, we present two new united‐atom force fields (UA‐FFs) for 1‐alkyl‐3‐methylimidazolium bis(trifluoromethylsulfonyl)imide [CnMIM][NTf2] (n=1, 2, 4, 6, 8) ionic liquids (ILs). One is parametrized manually, and the other is developed with the gradient‐based optimization workflow (GROW). By doing so, we wanted to perform a hard test to determine how researchers could benefit from semiautomated optimization procedures. As with our already published all‐atom force field (AA‐FF) for [CnMIM][NTf2] (T. Köddermann, D. Paschek, R. Ludwig, ChemPhysChem 2007, 8, 2464 ), the new force fields were derived to fit experimental densities, self‐diffusion coefficients, and NMR rotational correlation times for the IL cation and for water molecules dissolved in [C2MIM][NTf2]. In the manual force field, the alkyl chains of the cation and the CF3 groups of the anion were treated as united atoms. In the GROW force field, only the alkyl chains of the cation were united. All other parts of the structures of the ions remained unchanged to prevent any loss of physical information. Structural, dynamic, and thermodynamic properties such as viscosity, cation rotational correlation times, and heats of vaporization calculated with the new force fields were compared with values simulated with the previous AA‐FF and the experimental data. All simulated properties were in excellent agreement with the experimental values. Altogether, the UA‐FFs are slightly superior for speed‐up reasons. The UA‐FF speeds up the simulation by about 100 % and reduces the demanded disk space by about 78 %. More importantly, real time and efforts to generate force fields could be significantly reduced by utilizing GROW. The real time for the GROW parametrization in this work was 2 months. Manual parametrization, in contrast, may take up to 12 months, and this is, therefore, a significant increase in speed, though it is difficult to estimate the duration of manual parametrization. 相似文献
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