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21.
Boulant N Emerson J Havel TF Cory DG Furuta S 《The Journal of chemical physics》2004,121(7):2955-2961
Incoherence in the controlled Hamiltonian is an important limitation on the precision of coherent control in quantum information processing. Incoherence can typically be modeled as a distribution of unitary processes arising from slowly varying experimental parameters. We show how it introduces artifacts in quantum process tomography and we explain how the resulting estimate of the superoperator may not be completely positive. We then go on to attack the inverse problem of extracting an effective distribution of unitaries that characterizes the incoherence via a perturbation theory analysis of the superoperator eigenvalue spectra. 相似文献
22.
Important structural and mechanistic details concerning the non-heme, low-spin Fe(III) center in nitrile hydratase (NHase) remain poorly understood. We now report projection unrestricted Hartree-Fock (PUHF) calculations on the spin preferences of a series of inorganic complexes in which Fe(III) is coordinated by a mixed set of N/S ligands. Given that many of these compounds have been prepared as models of the NHase metal center, this study has allowed us to evaluate this computational approach as a tool for future calculations on the electronic structure of the NHase Fe(III) center itself. When used in combination with the INDO/S semiempirical model, the PUHF method correctly predicts the experimentally observed spin state for 12 of the 13 Fe(III)-containing complexes studied here. The one compound for which there is disagreement between our theoretical calculations and experimental observation exhibits temperature-dependent spin behavior. In this case, the failure of the PUHF-INDO/S approach may be associated with differences between the structure of the Fe(III) complex present under the conditions used to measure the spin preference and that observed by X-ray crystallography. A preliminary analysis of the role of the N/S ligands and coordination geometry in defining the Fe(III) spin preferences in these complexes has also been undertaken by computing the electronic properties of the lowest energy Fe(III) spin states. While any detailed interpretation of our results is constrained both by the limited set of well-characterized Fe(III) complexes used in this study and by the complicated dependence of Fe(III) spin preference upon metal-ligand interactions and coordination geometry, these PUHF-INDO/S calculations support the hypothesis that the deprotonated amide nitrogens coordinating the metal stabilize the low-spin Fe(III) ground state seen in NHase. Strong evidence that the sulfur ligands exclusively define the Fe(III) spin state preference by forming metal-ligand bonds with significant covalent character is not provided by these computational studies. This might, however, reflect limitations in modeling these systems at the INDO/S level of theory. 相似文献
23.
Smita A Ghanekar Sonny Bhatia Joyce J Ruitenberg DeLa Corazon Rosa Mary L Disis Vernon C Maino Holden T Maecker Cory A Waters 《Journal of immune based therapies and vaccines》2007,5(1):7-14
Background
Monocyte-derived-dendritic-cells (MDDC) are the major DC type used in vaccine-based clinical studies for a variety of cancers. In order to assess whether in vitro differentiated MDDC from cryopreserved PBMC of cancer patients are functionally distinct from those of healthy donors, we compared these cells for their expression of co-stimulatory and functional markers. In addition, the effect of cryopreservation of PBMC precursors on the quality of MDDC was also evaluated using samples from healthy donors. 相似文献24.
Jorge M. Garcia Ulrich Wurstbauer Antonio Levy Loren N. Pfeiffer Aron Pinczuk Annette S. Plaut Lei Wang Cory R. Dean Roberto Buizza Arend M. Van Der Zande James Hone Kenji Watanabe Takashi Taniguchi 《Solid State Communications》2012,152(12):975-978
The growth of single layer graphene nanometer size domains by solid carbon source molecular beam epitaxy on hexagonal boron nitride (h-BN) flakes is demonstrated. Formation of single-layer graphene is clearly apparent in Raman spectra which display sharp optical phonon bands. Atomic-force microscope images and Raman maps reveal that the graphene grown depends on the surface morphology of the h-BN substrates. The growth is governed by the high mobility of the carbon atoms on the h-BN surface, in a manner that is consistent with van der Waals epitaxy. The successful growth of graphene layers depends on the substrate temperature, but is independent of the incident flux of carbon atoms. 相似文献
25.
26.
Anthony A. Provatas Cory A. King Steven L. Kolakowski James D. Stuart Christopher R. Perkins 《Analytical letters》2017,50(16):2649-2660
Here, a simple, reliable method for the quantification of the 16 EPA priority polycyclic aromatic hydrocarbons in dried blood spots is outlined using liquid extraction and phospholipid solid-phase sample cleanup coupled with analysis by ultra-performance liquid chromatography with ultraviolet–visible detection. Whole blood spotted on Whatman FTA cards was efficiently quantified by extraction into acidified methanol and passed through a phospholipid solid-phase extraction well plate before injection into a liquid chromatography under reverse-phase conditions. The analyte recoveries in quality control samples ranged from 63.4 to 104.1%, with relative standard deviations from 0.48 to 2.04%. These figures of merit are comparable with measurements in whole blood or serum using similar techniques. The method detection limits were from 45.0?ng·g?1 for benzo[g,h,i]perylene to 118.7?ng·g?1 for chrysene, with matrix spike recoveries from 64.3 to 99.4%, demonstrating acceptable sensitivity and low matrix interference. With a simple liquid extraction approach and short 16-min liquid chromatography, the dried blood spots were effectively and rapidly analyzed. 相似文献
27.
Douglas S. Burns Marshall G. Cory Joseph L. Vasey 《International Journal for Ion Mobility Spectrometry》2010,13(2):73-82
Low level ab initio Quantum Chemistry (QC) is shown to be a promising technique for predicting the relative ordering of a wide variety of potential
analyte, dopant, and interferent molecules, by their proton affinities (PA). Computed PAs, using a single level of chemical
theory, are summarized for 53 compounds and when compared to literature reference data have a mean unsigned error of ∼9.5 kJ/mol.
Where applicable, multiple conformations of the protonated species were explored. In these cases, the Boltzmann weighted PA
is reported. Finally, examples are shown in which QC modeling is used to predict potential fragmentation products initiated
by the positive mode ionization. 相似文献
28.
29.
An extension of the product operator formalism of NMR is introduced, which uses the Hadamard matrix product to describe many simple spin 1/2 relaxation processes. The utility of this formalism is illustrated by deriving NMR gradient-diffusion experiments to simulate several decoherence models of interest in quantum information processing, along with their Lindblad and Kraus representations. 相似文献
30.
The self-assembly of molecular components into complex superstructures involves the subtle interplay of various noncovalent forces. Charged species are often utilised in self-assembly processes as a result of the favorable π-π, cation-π, electrostatic, and hydrogen bonding interactions that form between these species. Although the counterions associated with these charged species can exert significant effects on the synthesis, stability, and operation of superstructures in solution, rarely are the counterions considered, leading to misinterpretations and misunderstandings of the studied systems. In this tutorial review, we discuss a variety of solution-phase counterion effects, from the fundamental origins to innovative ways in which these effects are exploited for useful functions. 相似文献