Activiteit

According to the calculated projected efficiency, the expected experimental short-circuit current and power conversion efficiency of tandem solar cells with the optimal selection of layer thickness can reach 15.79 mA cm-2 and 23.24%, which is improved by 14.42% and 28.4%, respectively, compared to the benchmark cells.Base assisted divergent reactivity of isatins and allenoates has been achieved, which afforded diastereoselective spirofuran oxindoles and γ-functionalized allenoates. The DBU mediated Morita-Baylis-Hillman (MBH) reaction followed by the cascade annulation through the stabilized β-ammonium enolate intermediate led to the spiro-framework, wherein DABCO furnished the γ-functionalized allenoates. The protocol offers access to biologically relevant functionalized oxindole scaffolds with an excellent substrate scope under mild reaction conditions.Super-hydrophobic porous absorbents are convenient, low-cost, efficient and environment-friendly materials in the treatment of oil spills. In this work, a simple Pickering emulsion template method was employed to fabricate an interconnected porous poly(DVB-LMA) sponge. A new co-Pickering stabilization system of Span 80 and NiFe2O4 nanoparticles was used to prepare ultra-concentrated internal phase water-in-oil (W/O) emulsions. After further polymerization, the resulting sponges were generated, which exhibited excellent adsorption selectivity due to the super-hydrophobicity and super-lipophilicity. Furthermore, the characterization results indicated that the composites had superior thermal stability, low density, high porosity and a flexible three-dimensional porous structure. Besides, the addition of nickel ferrite nanoparticles provided the materials with extra magnetic operability. High oil adsorption capacity (up to 36.9-84.2 g g-1), high oil retention, fast adsorption rate and superior reusability allowed the materials to be applied in the treatment of oily water.Onsagers variational principle (OVP) was originally proposed by Lars Onsager in 1931 [L. Onsager, Phys. Rev., 1931, 37, 405]. This fundamental principle provides a very powerful tool for formulating thermodynamically consistent models. It can also be employed to find approximate solutions, especially in the study of soft matter dynamics. In this work, OVP is extended and applied to the dynamic modeling of active soft matter such as suspensions of bacteria and aggregates of animal cells. We first extend the general formulation of OVP to active matter dynamics where active forces are included as external non-conservative forces. We then use OVP to analyze the directional motion of individual active units a molecular motor walking on a stiff biofilament and a toy two-sphere microswimmer. Next we use OVP to formulate a diffuse-interface model for an active polar droplet on a solid substrate. In addition to the generalized hydrodynamic equations for active polar fluids in the bulk region, we have also derived thermodynamically consistent boundary conditions. Finally, we consider the dynamics of a thin active polar droplet under the lubrication approximation. We use OVP to derive a generalized thin film equation and then employ OVP as an approximation tool to find the spreading laws for the thin active polar droplet. By incorporating the activity of biological systems into OVP, we develop a general approach to construct thermodynamically consistent models for better understanding the emergent behaviors of individual animal cells and cell aggregates or tissues.We studied the crystallization of semiflexible polymer chains in melts and poor-solvent solutions with different concentrations using dissipative particle dynamics (DPD) computer simulation techniques. We used the coarse-grained polymer model to reveal the general principles and microscopic scenario of crystallization in such systems at large time and length scales. It covers both primary and secondary nucleation as well as crystallites’ merging. The parameters of the DPD model were chosen appropriately to reproduce the entanglements of polymer chains. We started from an initial homogeneous disordered solution of Gaussian chains and observed the initial stages of crystallization process caused in our model by orientational ordering of polymer chains and polymer-solvent phase separation. We found that the overall crystalline fraction at the end of the crystallization process decreases with the increasing polymer volume fraction while the steady-state crystallization speed at later stages does not depend on the polymer volume fraction. The average crystallite size has a maximal value in the systems with a polymer volume fraction from 0.7 to 0.95. Mitapivat ic50 In our model, these polymer concentrations represent an optimal value in the sense of balance between the amount of polymer material available to increase the crystallite size and chain entanglements, that prevent crystallites’ growth and merging. On large time scales, our model allows us to observe lamellar thickening linear in logarithmic time scale.The possibility to induce intra-molecular metal-to-metal charge transfer in a cyanido bridged tetranuclear square shaped Fe2Ni2 complex by employing protonation as an external stimulant is explored. Two cyanido bridged square shaped tetranuclear complexes, [Ni(TPA)(μ2-NC)2Ni(CN)22]·4H2O (2) and [Ni(TPA)(μ2-NC)2Fe(bbp)(CN)2]·10H2O (3) [TPA = tris(3,5-dimethylpyrazol-1-ylmethyl)amine and H2bbp = bis(2-benzimidazolyl)pyridine], are synthesized and characterized. Low temperature magnetic measurements reveal that complex 3 has dominant ferromagnetic interactions between low-spin FeIII (S = 1/2) and high-spin NiII (S = 1) ions. UV-visible spectrophotometric measurements and electrochemical studies establish that reversible intra-molecular metal-to-metal electron transfer can be triggered in 3 upon the addition of either an acid or a base.Tungsten oxide (WO3) as an efficient heterogeneous catalyst was prepared via a simple hydrothermal route for the synthesis of a wide range of bioactive heterocyclic compounds. The present investigation deals with the rapid and low-cost synthesis of C-3-alkylated 4-hydroxycoumarin, chromene, and xanthene derivatives. WO3 nanorods (NRs) are successfully envisaged to catalyze desired transformations, demonstrating the wide range of their potential applications in catalysis. Synthetic transformation details, smallest catalytic amounts, excellent product yields, and plausible reaction mechanisms for the formation of these heterocyclic scaffolds are elicidated. As-prepared WO3 NRs are characterized to confirm their structural, chemical, and morphological parameters by X-ray diffraction, X-ray photoelectron spectroscopy, and field emission scanning electron microscopy measurements, respectively. We discuss the factors that govern the formation of products, and the active role of WO3 NRs, which are essential for the activation of substrates in the present study of thermal conditions.