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151.
Fabrizio Colombo Samuele Mongodi Marco Peloso Stefano Pinton 《Mathematical Methods in the Applied Sciences》2019,42(5):1662-1686
Let e?, for ? = 1,2,3, be orthogonal unit vectors in and let be a bounded open set with smooth boundary ?Ω. Denoting by a point in Ω, the heat equation, for nonhomogeneous materials, is obtained replacing the Fourier law, given by the following: into the conservation of energy law, here a, b, are given functions. With the S‐spectrum approach to fractional diffusion processes we determine, in a suitable way, the fractional powers of T. Then, roughly speaking, we replace the fractional powers of T into the conservation of energy law to obtain the fractional evolution equation. This method is important for nonhomogeneous materials where the Fourier law is not simply the negative gradient. In this paper, we determine under which conditions on the coefficients a, b, the fractional powers of T exist in the sense of the S‐spectrum approach. More in general, this theory allows to compute the fractional powers of vector operators that arise in different fields of science and technology. This paper is devoted to researchers working in fractional diffusion and fractional evolution problems, partial differential equations, and noncommutative operator theory. 相似文献
152.
Dr. Marco Marazzi Dr. Hugo Gattuso Dr. Maria Fumanal Dr. Chantal Daniel Dr. Antonio Monari 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2519-2526
A computational investigation of the triplet excited states of a rhenium complex electronically coupled with a tryptophan side chain and bound to an azurin protein is presented. In particular, by using high-level molecular modeling, evidence is provided for how the electronic properties of the excited-state manifolds strongly depend on coupling with the environment. Indeed, only upon explicitly taking into account the protein environment can two stable triplet states of metal-to-ligand charge transfer or charge-separated nature be recovered. In addition, it is also demonstrated how the rhenium complex plus tryptophan system in an aqueous environment experiences too much flexibility, which prevents the two chromophores from being electronically coupled. This occurrence disables the formation of a charge-separated state. The successful strategy requires a multiscale approach of combining molecular dynamics and quantum chemistry. In this context, the strategy used to parameterize the force fields for the electronic triplet states of the metal complex is also presented. 相似文献
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José Luis Castrejon-Flores Oscar Ernesto Guevara-Moreno Raúl Ricardo Díaz-Contreras Atilano Gutiérrez-Carrillo Marco Franco-Pérez 《Phosphorus, sulfur, and silicon and the related elements》2013,188(11):1062-1066
AbstractWe present a multicomponent reaction strategy to synthesize a (dihydro-1H-benzo[d]imidazole)phosphonate family of compounds, using benzimidazoles, diethyl chlorophosphate and aliphatic amines as starting reactants. Giving its simplicity, our procedure involves reaction times of only few hours and avoid the usage of any catalyst agent. All the newly synthesized compounds were characterized by Nuclear Magnetic Resonance spectroscopy (1H, 13C and 31P) and mass spectrometry by the DART method. 相似文献
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Emilio Ignesti Roberto Buffa Lorenzo Fini Emiliano Sali Marco V. Tognetti Stefano Cavalieri 《Optics Communications》2012,285(6):1185-1189
We present an experimental and theoretical investigation, performed on hot sodium atoms in a ladder scheme, showing the control of the absorption and of the propagation velocity of a probe light pulse with a spectral bandwidth as large as 1.8 GHz. The predictions of the theoretical model compare favorably with the experimental results. 相似文献
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Oliver Brücher Uwe Bergsträßer Harald Kelm Jens Hartung Marco Greb Ingrid Svoboda Hartmut Fuess 《Tetrahedron》2012,68(34):6968-6980
A cascade, composed of (i) oxovanadium(V)-catalyzed oxidation of bromide by tert-butyl hydroperoxide and (ii) stereoselective 6-endo-bromocyclization, affords 3-bromo-2-aryl-2,6,6-trimethyltetrahydropyrans from styrene-type tertiary alkenols in synthetically useful yields. (E)-Alkenols add the bromo- and the alkoxy substituent anti-selectively across the double bond, indicating a bromonium ion-mechanism for the ring closure. 6-endo-control of the alkenol cyclization thereby arises from the polar effect of the aryl substituent. Two methyl substituents bound to the alkene terminus are not similarly able to favor 6-endo-cyclization, because strain arising from methyl group repulsion, as the bromonium-activated π-bond and the hydroxyl oxygen approach, directs bromocyclization of tertiary prenyl-type substrates toward tetrahydrofuran formation. A hexasubstituted bromotetrahydropyran prepared from the oxidation/bromocyclization cascade served as starting material for synthesis of racemic aplysiapyranoid A, in a sequence of free radical and polar functional group interconversion. 相似文献