The structures of two types of guanidine-quinoline copper complexes have been investigated by single-crystal X-ray crystallography, K-edge X-ray absorption spectroscopy (XAS), resonance Raman and UV/Vis spectroscopy, cyclic voltammetry, and density functional theory (DFT). Independent of the oxidation state, the two structures, which are virtually identical for solids and complexes in solution, resemble each other strongly and are connected by a reversible electron transfer at 0.33 V. By resonant excitation of the two entatic copper complexes, the transition state of the electron transfer is accessible through vibrational modes, which are coupled to metal-ligand charge transfer (MLCT) and ligand-metal charge transfer (LMCT) states.
In this work, we analyze the Born, Bogoliubov, Green, Kirkwood, and Yvon (BBGKY) hierarchy of equations for describing the full time evolution of a many-body fermionic system in terms of its reduced density matrices (at all orders). We provide an exhaustive study of the challenges and open problems linked to the truncation of such a hierarchy of equations to make them practically applicable. We restrict our analysis to the coupled evolution of the one-and two-body reduced density matrices, where higher-order correlation effects are embodied into the approximation used to close the equations. We prove that within this approach, the number of electrons and total energy are conserved, regardless of the employed approximation. Further, we demonstrate that although most of the truncation schemes available in the literature give acceptable ground-state energy, when applied to describe driven electron dynamics, they exhibit undesirable and unphysical behavior, e.g., violation and even divergence in local electronic density, both in weakly and strongly correlated regimes. We illustrate and analyze these problems within the few-site Hubbard model. The model can be solved exactly and provides a unique reference for our detailed study of electron dynamics for different values of interaction, different initial conditions, and the large set of approximations considered here. Moreover, we study the role of compatibility between two hierarchical equations and positive semidefiniteness of reduced density matrices in the instability of electron dynamics. We show that even if the used approximation holds the compatibility, electron dynamics can still diverge when positive definitiveness is violated. We propose some partial solutions of such problems and point out the main paths for future work in order to make this approach applicable for the description of the correlated electron dynamics in complex systems.
Biocompatible and biodegradable polymers will play a necessary and important role in developing new and safe carriers for oligonucleotide delivery. More working and the development of optimized polymers will reveal more their efficacy in the treatment of patients via helping in better gene therapy.
Cancer is a broad term for a class of prevalent diseases as one in three people develop cancer during their lifetime. Although, there are few success stories of cancer therapy, most of the existing medications do not lead to complete recovery. Because of the complexity of cancer, usually a single therapeutic approach is insufficient for the suppression of cancer growth and metastasis. Simultaneous loading and co-delivery of different agents with different physiochemical characteristics to the same tumors have been suggested for minimizing the dose of anticancer drugs and achieving the synergistic therapeutic impacts in cancers treatment. Intense work to develop nanotechnology-based systems as a suitable option for cancer treatment is currently underway. The purpose of this review is to provide an overview of the co-delivery systems based on polymeric nanoparticles including polymeric micelles, dendrimers, poly-d,l-lactide-co-glycolide, polyethylenimine, poly(l-lysine) and chitosan for efficacious cancer therapy.
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