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61.
Elena Kolodzeiski Dr. Saeed Amirjalayer 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(6):1263-1268
Photoresponsive functional materials have gained increasing attention due to their externally tunable properties. Molecular switches embedded in these materials enable the control of phenomena at the atomic level by light. Metal–organic frameworks (MOFs) provide a versatile platform to immobilize these photoresponsive units within defined molecular environments to optimize the intended functionality. For the application of these photoresponsive MOFs (pho-MOFs), it is crucial to understand the influence of the switching state on the host–guest interaction. Therefore, we present a detailed insight into the impact of molecular switching on the intermolecular interactions. By performing atomistic simulations, we revealed that due to different interactions of the guest molecules with the two isomeric states of an azobenzene-functionalized MOF, both the adsorption sites and the orientation of the molecules within the pores are modulated. By shedding light on the host–guest interaction, our study highlights the unique potential of pho-MOFs to tailor molecular interaction by light. 相似文献
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Jochen C. Lauer Ziwei Pang Paul Janßen Dr. Frank Rominger Tobias Kirschbaum Prof. Dr. Marcus Elstner Prof. Dr. Michael Mastalerz 《ChemistryOpen》2020,9(2):183-190
Three shape-persistent [4+4] imine cages with truncated tetrahedral geometry with different window sizes were studied as hosts for the encapsulation of tetra-n-alkylammonium salts of various bulkiness. In various solvents the cages behave differently. For instance, in dichloromethane the cage with smallest window size takes up NEt4+ but not NMe4 + , which is in contrast to the two cages with larger windows hosting both ions. To find out the reason for this, kinetic experiments were carried out to determine the velocity of uptake but also to deduce the activation barriers for these processes. To support the experimental results, calculations for the guest uptakes have been performed by molecular mechanics’ simulations. Finally, the complexation of pharmaceutical interested compounds, such as acetylcholine, muscarine or denatonium have been determined by NMR experiments. 相似文献
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Catecholamines play important roles in biology but their structural similarity makes it challenging to construct synthetic receptors with selective binding. A combination of covalent and noncovalent binding groups in the hydrophobic core of water‐soluble nanoparticles enabled them to recognize dopamine and epinephrine with an association constant (Ka) of 3–4×104 M?1 in water, an order of magnitude higher than those of previously reported synthetic hosts. In addition, minute structural changes among analogues were detected including the addition or removal of a single hydroxyl or methyl group. 相似文献
65.
《Arabian Journal of Chemistry》2020,13(11):8262-8270
The Zn0.3Al0.4O4.5 nanoparticles (ZnAlONPs) with size of 70–90 nm are used as an efficient photocatalyst for formaldehyde (HCHO) degradation and effective adsorbent for the removal of eriochrome black-T (EBT) dye from synthetic aqueous solution. Degradation of HCHO reactions were studied using TiO2 (homemade), TiO2 (P-25) and ZnAlONPs by irradiating under 18 W daylight lamp source for photocatalytic degradation. The HCHO degradation rate is about 67, 76 and 89% for TiO2 (homemade), TiO2 (P25) and ZnAlONPs during 2 h reaction, respectively at initial formaldehyde gas concentration of 20 ppm. Maximum adsorption capacity was optimized by changing the parameters such as pH, EBT concentration and adsorbent dosage. A 200 mg of ZnAlONPs are useable for quick removal of EBT (>95%). Langmuir isotherm model showed a maximum adsorption capacity of 90.90 mgg−1. The ZnAlONPs could be successfully reused upto 5th adsorption/desorption cycle for EBT dye removal from water samples. 相似文献
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This paper presents a new sensitivity analysis method for coupled acoustic–structural systems subjected to non-stationary random excitations. The integral of the response power spectrum density (PSD) of the coupled system is taken as the objective function. The thickness of each structural element is used as a design variable. A time-domain algorithm integrating the pseudo excitation method (PEM), direct differentiation method (DDM) and high precision direct (HPD) integration method is proposed for the sensitivity analysis of the objective function with respect to design variables. Firstly, the PEM is adopted to transform the sensitivity analysis under non-stationary random excitations into the sensitivity analysis under pseudo transient excitations. Then, the sensitivity analysis equation of the coupled system under pseudo transient excitations is derived based on the DDM. Moreover, the HPD integration method is used to efficiently solve the sensitivity analysis equation under pseudo transient excitations in a reduced-order modal space. Numerical examples are presented to demonstrate the validity of the proposed method. 相似文献
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本文通过多步有机反应制备了化合物9-苯基-9′-(4-二苯基氧化膦)苯基-氧杂蒽[diphenyl(4-(9-phenyl-9H-xanthen-9-yl)phenyl)phosphine oxide,DPPO],低温磷光发射光谱测试表明该化合物具有高的三线态能级(2.88eV),它可以作为天蓝色磷光发光材料双(4,6-二氟苯基吡啶-N,C2)吡啶甲酰合铱[bis(3,5-difluoro-2-(2-pyridyl)phenyl-(2-carboxypyridyl)iridium(Ⅲ),FIrpic,ET=2.62eV]的主体材料.将主体材料DPPO用于蓝色磷光有机发光二极管中,该器件在100cd/m2的亮度下,电流效率和流明效率分别达到30.6cd/A和19.2lm/W,最大外量子效率达到13.6%. 相似文献