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As a continuation of our efforts to develop new heterogeneous nanomagnetic catalysts for greener reactions, we identified a Schiff base–palladium(II) complex anchored on magnetic nanoparticles (SB‐Pd@MNPs) as a highly active nanomagnetic catalyst for Suzuki–Miyaura cross‐coupling reactions between phenylboronic acid and aryl halides and for the reduction of nitroarenes using sodium borohydride in an aqueous medium at room temperature. The SB‐Pd@MNPs nanomagnetic catalyst shows notable advantages such as simplicity of operation, excellent yields, short reaction times, heterogeneous nature, easy magnetic work up and recyclability. Characterization of the synthesized SB‐Pd@MNPs nanomagnetic catalyst was performed with various physicochemical methods such as attenuated total reflectance infrared spectroscopy, UV–visible spectroscopy, inductively coupled plasma atomic emission spectroscopy, energy‐dispersive X‐ray spectroscopy, field‐emission scanning electron microscopy, transmission electron microscopy, powder X‐ray powder diffraction, thermogravimetric analysis and Brunauer–Emmett–Teller surface area analysis.  相似文献   
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The interactions of the nucleobases thymine (C5H6N2O2) and uracil (C4H4N2O2) with Cr‐doped C20 fullerene (C19Cr) are investigated by performing density functional theory calculations. The adsorption of these nucleobases on C19Cr leads to two distinct geometries (P1 and P2) differing in the orientation of the nucleobases. The interaction of the nucleobases with the C19Cr nanocluster is highly exothermic, revealing that they are chemically adsorbed on C19Cr. The results show that the binding energy of the thymine–C19Cr complex is slightly higher than that of the uracil–C19Cr complex. In addition, the P2 geometry is more stable compared to P1 due to the higher binding energy in the former configuration. However, based on the results of natural bond orbital and frontier molecular orbitals analyses, the C19Cr nanocage has higher reactivity with the nucleobases in P1 geometry in comparison with P2 due to the larger charge transfer and orbital hybridization in the former geometry. Moreover, the band gap of the C19Cr nanocage decreases after interaction with the nucleobases, and interestingly the impact is more pronounced for P1 geometry, confirming the higher sensitivity of C19Cr to the nucleobases in P1 geometry. Our findings reveal the promising potential of C19Cr as an organometallic carrier for nucleobases thymine and uracil.  相似文献   
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We previously reported the synthesis and characterization of new organometallic chalcones derived from ferrocene, cyrhetrene and cymantrene functionalized with a benzo‐15‐crown‐5 fragment. The ferrocene and cyrhetrene chalcones have been investigated as chemosensors for metal ions with optical response in acetonitrile. Several metal ions were selected considering the diameter of the cavity and the charge‐to‐radius ratio of the cation. The stoichiometry of the complexes was determined using Job's method. It was found that Na+ and Ca2+ complexes have a 1:1 stoichiometry while a 2:1 (metaloligand‐to‐cation) stoichiometry was determined for Ba2+ and Pb2+ complexes. The association constants were calculated according to the stoichiometry of the complex and the results showed that they are directly affected by the electron‐withdrawing nature of the organometallic fragment. Moreover, complexes of ferrocenyl chalcone have larger association constants than those of the cyrhetrenyl analogue. This experimental observation is consistent with the electronic properties of the ferrocenyl fragment.  相似文献   
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We give lower bounds for the numbers of real solutions in problems appearing in Schubert calculus in the Grassmannian \({\mathop{\rm Gr}(n,d)}\) related to osculating flags. It is known that such solutions are related to Bethe vectors in the Gaudin model associated to \({\mathop{\rm gl}_n}\). The Gaudin Hamiltonians are self-adjoint with respect to a non-degenerate indefinite Hermitian form. Our bound comes from the computation of the signature of that form.  相似文献   
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This paper introduces a robust preconditioner for general sparse matrices based on low‐rank approximations of the Schur complement in a Domain Decomposition framework. In this ‘Schur Low Rank’ preconditioning approach, the coefficient matrix is first decoupled by a graph partitioner, and then a low‐rank correction is exploited to compute an approximate inverse of the Schur complement associated with the interface unknowns. The method avoids explicit formation of the Schur complement. We show the feasibility of this strategy for a model problem and conduct a detailed spectral analysis for the relation between the low‐rank correction and the quality of the preconditioner. We first introduce the SLR preconditioner for symmetric positive definite matrices and symmetric indefinite matrices if the interface matrices are symmetric positive definite. Extensions to general symmetric indefinite matrices as well as to nonsymmetric matrices are also discussed. Numerical experiments on general matrices illustrate the robustness and efficiency of the proposed approach. Copyright © 2016 John Wiley & Sons, Ltd.  相似文献   
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