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141.
Inside Back Cover: Circularly Polarized Luminescence from Axially Chiral BODIPY DYEmers: An Experimental and Computational Study (Chem. Eur. J. 45/2016) 下载免费PDF全文
142.
Dr. Oscar Bertran Dr. Guillermo Revilla‐López Dr. Jordi Casanovas Dr. Luis J. del Valle Dr. Pau Turon Prof. Dr. Jordi Puiggalí Prof. Dr. Carlos Alemán 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(19):6631-6636
In spite of the clinical importance of hydroxyapatite (HAp), the mechanism that controls its dissolution in acidic environments remains unclear. Knowledge of such a process is highly desirable to provide better understanding of different pathologies, as for example osteoporosis, and of the HAp potential as vehicle for gene delivery to replace damaged DNA. In this work, the mechanism of dissolution in acid conditions of HAp nanoparticles encapsulating double‐stranded DNA has been investigated at the atomistic level using computer simulations. For this purpose, four consecutive (multi‐step) molecular dynamics simulations, involving different temperatures and proton transfer processes, have been carried out. Results are consistent with a polynuclear decalcification mechanism in which proton transfer processes, from the surface to the internal regions of the particle, play a crucial role. In addition, the DNA remains protected by the mineral mold and transferred proton from both temperature and chemicals. These results, which indicate that biomineralization imparts very effective protection to DNA, also have important implications in other biomedical fields, as for example in the design of artificial bones or in the fight against osteoporosis by promoting the fixation of Ca2+ ions. 相似文献
143.
Back Cover: Formal Total Synthesis of Diazonamide A by Indole Oxidative Rearrangement (Chem. Eur. J. 31/2016) 下载免费PDF全文
144.
This paper deals with the one-machine dynamic total completion time scheduling problem. This problem is known to be NP-hard in the strong sense. A polynomial time heuristic algorithm is proposed which applies the recently introduced Recovering Beam Search (RBS) approach. The algorithm is based on a beam search procedure with unitary beam width and includes a recovering subroutine that allows to overcome wrong decisions taken at higher levels of the beam search tree. It is shown that the total number of considered nodes is bounded by n where n is the jobsize. The proposed algorithm is able to solve in very short CPU time problems with up to 500 jobs outperforming the best state of the art heuristics. 相似文献
145.
Starting with the Vlasov-Boltzmann equation for a binary fluid mixture, we derive an equation for the velocity field u when the system is segregated into two phases (at low temperatures) with a sharp interface between them. u satisfies the incompressible Navier-Stokes equations together with a jump boundary condition for the pressure across the interface which, in turn, moves with a velocity given by the normal component of u. Numerical simulations of the Vlasov-Boltzmann equations for shear flows parallel and perpendicular to the interface in a phase segregated mixture support this analysis. We expect similar behavior in real fluid mixtures. 相似文献
146.
We consider the impact of nonstandard interactions (NSI) of neutrinos on the determination of neutrino mixing parameters at a neutrino factory using nu(-)(e)-->nu(-)(mu) "golden channels" for the measurement of theta(13). We show how a small residual NSI leads to a drastic loss in sensitivity in theta(13), of up to 2 orders of magnitude. This can be somewhat overcome if two baselines are combined. 相似文献
147.
We have developed an experimental method based on the visibility factor of light-scattering minima to obtain size-polydispersity information from contaminants upon a flat substrate. We verify the method by using double-interaction-model calculations and use this technique to examine experimentally the radial variation of a micrometer-sized fiber and the size polydispersity of spherical particles upon a substrate. 相似文献
148.
We present a concise review of the status of the standard model and of the search for new physics. 相似文献
149.
150.
Guido E del Pino 《Statistics & probability letters》1984,2(4):245-248
In this paper we consider the full rank regression model with arbitrary covariance matrix: Y = Xß + ε. It is shown that the effect of restricting the information Y to T = A′Y may be analyzed through an associatedi regression problem which is amenable to solution by two step least squares. The results are applied to the important case of missing observations, where some classical results are rederived. 相似文献