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41.
Mauro Gaggero Giorgio Gnecco Marcello Sanguineti 《Computational Optimization and Applications》2014,58(1):31-85
Stochastic optimization problems with an objective function that is additive over a finite number of stages are addressed. Although Dynamic Programming allows one to formally solve such problems, closed-form solutions can be derived only in particular cases. The search for suboptimal solutions via two approaches is addressed: approximation of the value functions and approximation of the optimal decision policies. The approximations take on the form of linear combinations of basis functions containing adjustable parameters to be optimized together with the coefficients of the combinations. Two kinds of basis functions are considered: Gaussians with varying centers and widths and sigmoids with varying weights and biases. The accuracies of such suboptimal solutions are investigated via estimates of the error propagation through the stages. Upper bounds are derived on the differences between the optimal value of the objective functional and its suboptimal values corresponding to the use at each stage of approximate value functions and approximate policies. Conditions under which the number of basis functions required for a desired approximation accuracy does not grow “too fast” with respect to the dimensions of the state and random vectors are provided. As an example of application, a multidimensional problem of optimal consumption under uncertainty is investigated, where consumers aim at maximizing a social utility function. Numerical simulations are provided, emphasizing computational pros and cons of the two approaches (i.e., value-function approximation and optimal-policy approximation) using the above-mentioned two kinds of basis functions. To investigate the dependencies of the performances on dimensionality, the numerical analysis is performed for various numbers of consumers. In the simulations, discretization techniques exploiting low-discrepancy sequences are used. Both theoretical and numerical results give insights into the possibility of coping with the curse of dimensionality in stochastic optimization problems whose decision strategies depend on large numbers of variables. 相似文献
42.
Phenylseleno-acetoxylation, hydroxylation, etherification and lactonization products are obtained in good yields from the reaction of alkenes with diphenyl diselenide and iodosobenzene diacetate, in acetonitrile. 相似文献
43.
The stability of a cantilever elastic beam with rectangular cross-section under the action of a follower tangential force and a bending conservative couple at the free end is analyzed. The beam is herein modeled as a non-linear Cosserat rod model. Non-linear, partial integro-differential equations of motion are derived expanded up to cubic terms in the transversal displacement and torsional angle of the beam. The linear stability of the trivial equilibrium is studied, revealing the existence of buckling, flutter and double-zero critical points. Interaction between conservative and non-conservative loads with respect to the stability problem is discussed. The critical spectral properties are derived and the corresponding critical eigenspace is evaluated. 相似文献
44.
Roberto?Alicandro Lucia?De?Luca Adriana?Garroni Marcello?PonsiglioneEmail author 《Calculus of Variations and Partial Differential Equations》2017,56(5):148
In Alicandro et al. (J Mech Phys Solids 92:87–104, 2016) a simple discrete scheme for the motion of screw dislocations toward low energy configurations has been proposed. There, a formal limit of such a scheme, as the lattice spacing and the time step tend to zero, has been described. The limiting dynamics agrees with the maximal dissipation criterion introduced in Cermelli and Gurtin (Arch Ration Mech Anal 148, 1999) and predicts motion along the glide directions of the crystal. In this paper, we provide rigorous proofs of the results in [3], and in particular of the passage from the discrete to the continuous dynamics. The proofs are based on \(\Gamma \)-convergence techniques. 相似文献
45.
This paper proposes an approximate explicit probability density function for the analysis of external and parametric oscillation of a simply supported beam driven by random pulses. The impulsive loading model adopted is Poisson white noise, which is a process having Dirac delta occurrences with random intensity distributed in time according to Poisson's law. The response probability density function can be obtained by solving the related Kolmogorov–Feller integro-differential equation. An approximate solution is derived by transforming this equation to a first-order partial differential equation. The method of characteristics is then applied to obtain an explicit solution. The theory has been validated through numerical simulations. 相似文献
46.
Campione M Parravicini M Moret M Papagni A Schröter B Fritz T 《Langmuir : the ACS journal of surfaces and colloids》2011,27(19):12008-12015
The integration of nanoscale processes and devices demands fabrication routes involving rapid, cost-effective steps, preferably carried out under ambient conditions. The realization of the metal/organic semiconductor interface is one of the most demanding steps of device fabrication, since it requires mechanical and/or thermal treatments which increment costs and are often harmful in respect to the active layer. Here, we provide a microscopic analysis of a room temperature, electroless process aimed at the deposition of a nanostructured metallic silver layer with controlled coverage atop the surface of single crystals and thin films of organic semiconductors. This process relies on the reaction of aqueous AgF solutions with the nonwettable crystalline surface of donor-type organic semiconductors. It is observed that the formation of a uniform layer of silver nanoparticles can be accomplished within 20 min contact time. The electrical characterization of two-terminal devices performed before and after the aforementioned treatment shows that the metal deposition process is associated with a redox reaction causing the p-doping of the semiconductor. 相似文献
47.
Narcisi V Mascini M Perez G Del Carlo M Tiscar PG Yamanaka H Compagnone D 《Talanta》2011,85(4):1927-1932
A post-PCR nucleic acid work by comparing experimental data, from electrochemical genosensors, and bioinformatics data, derived from the simulation of the secondary structure folding and prediction of hybridisation reaction, was carried out in order to rationalize the selection of ssDNA probes for the detection of two Bonamia species, B. exitiosa and B. ostreae, parasites of Ostrea edulis.Six ssDNA probes (from 11 to 25 bases in length, 2 thiolated and 4 biotinylated) were selected within different regions of B. ostreae and B. exitiosa PCR amplicons (300 and 304 bases, respectively) with the aim to discriminate between these parasite species. ssDNA amplicons and probes were analyzed separately using the “Mfold Web Server” simulating the secondary structure folding behaviour. The hybridisation of amplicon-probe was predicted by means of “Dinamelt Web Server”. The results were evaluated considering the number of hydrogen bonds broken and formed in the simulated folding and hybridisation process, variance in gaps for each sequence and number of available bases. In the experimental part, thermally denatured PCR products were captured at the sensor interface via sandwich hybridisation with surface-tethered probes (thiolated probes) and biotinylated signalling probes. A convergence between analytical signals and simulated results was observed, indicating the possibility to use bioinformatic data for ssDNA probes selection to be incorporated in genosensors. 相似文献
48.
49.
Gennari M Orio M Pécaut J Bothe E Neese F Collomb MN Duboc C 《Inorganic chemistry》2011,50(8):3707-3716
Sulfur-rich nickel metalloenzymes are capable of stabilizing Ni(I) and Ni(III) oxidation states in catalytically relevant species. In an effort to better understand the structural and electronic features that allow the stabilization of such species, we have investigated the electrochemical properties of two mononuclear N(2)S(2) Ni(II) complexes that differ in their sulfur environment. Complex 1 features aliphatic dithiolate coordination ([NiL], 1), and complex 2I is characterized by mixed thiolate/thioether coordination ([NiL(Me)]I, 2I). The latter results from the methylation of a single sulfur of 1. The X-ray structure of 2I reveals a distorted square planar geometry around the Ni(II) ion, similar to what was previously reported by us for 1. The electrochemical investigation of 1 and 2(+) shows that the addition of a methyl group shifts the potentials of both redox Ni(II)/Ni(I) and Ni(III)/Ni(II) redox couples by about 0.7 and 0.6 V to more positive values. Through bulk electrolyses, only the mononuclear dithiolate [Ni(I)L](-) (1(-)) and the mixed thiolate/thioether [Ni(III)L(Me)](2+) (2(2+)) complexes were generated, and their electronic properties were investigated by UV-vis and EPR spectroscopy. For 1(-) (Ni(I), d(9) configuration) the EPR data are consistent with a d(x(2))(-)(y(2)) based singly occupied molecular orbitals (SOMOs). However, DFT calculations suggest that there is also pronounced radical character. This is consistent with the small g-anisotropy observed in the EPR experiments. The spin population (Mulliken analysis) analysis of 1(-) reveals that the main contribution to the SOMO (64%) is due to the bipyridine unit. Time dependent density functional theory (TD-DFT) calculations attribute the most prominent features observed in the electronic absorption spectrum of 1(-) to metal to ligand charge transfer (MLCT) transitions. Concerning 2(2+), the EPR spectrum displays a rhombic signal with g(x) = 2.236, g(y) = 2.180, and g(z) = 2.039 in CH(3)CN. The g(iso) value is larger than 2.0, which is consistent with metal based oxidation. The unpaired electron (Ni(III), d(7) configuration) occupies a Ni-d(z(2)) based molecular orbital, consistent with DFT calculations. Nitrogen hyperfine structure is observed as a triplet in the g(z) component of the EPR spectrum with A(N) = 51 MHz. This result indicates the coordination of a CH(3)CN molecule in the axial position. DFT calculations confirm that the presence of a fifth ligand in the coordination sphere of the Ni ion is required for the metal-based oxidation process. Finally, we have shown that 1 exhibits catalytic reductive dehalogenation activity below potentials of -2.00 V versus Fc/Fc(+) in CH(2)Cl(2). 相似文献
50.
Locatelli M Epifano F Genovese S Carlucci G Koncić MZ Kosalec I Kremer D 《Natural product communications》2011,6(9):1275-1280
The anthraquinone profile, antioxidant and antimicrobial activities as well as the total phenol and total flavonoid contents were determined in methanol extracts of the barks of Rhamnus catharticus L. and R. orbiculatus Bornm. The most abundant anthraquinone derivatives in R. catharticus were physcion (67.8%) and emodin (26.2%), while R. orbiculatus contained mostly physcion (81.3%) and chrysophanol (14.6%). R. catharticus displayed better activity in the beta-carotene-linoleic acid assay, as well as chelating activity, whereas its activity in the reducing power assay was significantly lower than that of R. orbiculatus. Both methanol extracts showed antimicrobial activity against all microbial species tested (Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, Candida albicans, Aspergillus niger, Microsporum gypseum) with MIC values either equal to or lower than 2.50 mg/mL. R. catharticus and R. orbiculatus contained several anthranoid aglycones and their bark extracts demonstrated notable antioxidant and antimicrobial properties. The results obtained indicate the medicinal potential of these two species. 相似文献