8,836 research outputs found
Accurate measurement of ^{13}C - ^{15}N distances with solid-state NMR
Solid-state NMR technique for measureing distances between hetero-nuclei in
static powder samples is described. It is based on a two-dimensional
single-echo scheme enhanced with adiabatic cross-polarization. As an example,
the results for intra-molecular distances in -crystalline form of
glycine are presented. The measured NMR distances ^13 C(2) - ^15 N and ^13 C(1)
- ^15 N are 1.496 0.002 \AA and 2.50 0.02 \AA, respectively.Comment: 12 page
Quantum information processing using strongly-dipolar coupled nuclear spins
Dipolar coupled homonuclear spins present challenging, yet useful systems for
quantum information processing. In such systems, eigenbasis of the system
Hamiltonian is the appropriate computational basis and coherent control can be
achieved by specially designed strongly modulating pulses. In this letter we
describe the first experimental implementation of the quantum algorithm for
numerical gradient estimation on the eigenbasis of a four spin system.Comment: 5 pages, 5 figures, Accepted in PR
Rural Telecommunications Infrastructure Selection Using the Analytic Network Process.
The decisions involved in rural settings are of complex nature, with some aspects compounded by the presence of intangible criteria. Hence, a suitable approach is needed that can produce effective solutions. This paper describes the applicability of a multicriteria decision-making method, specifically the analytic network process (ANP), to model the selection of an appropriate telecommunications infrastructure technology, capable of deploying e-services in rural areas of developing countries. It aims to raise awareness among telecommunication planners about the availability of ANP, and to demonstrate its suitability to enhance the selection process. The proposed model is constructed based on concerned experts' views of relevant selection criteria and potential technology alternatives. Its network structure caters for all possible dependencies and interactions among criteria and alternatives
New determination of structure parameters in strong field tunneling ionization theory of molecules
In the strong field molecular tunneling ionization theory of Tong et al.
[Phys. Rev. A 66, 033402 (2002)], the ionization rate depends on the asymptotic
wavefunction of the molecular orbital from which the electron is removed. The
orbital wavefunctions obtained from standard quantum chemistry packages in
general are not good enough in the asymptotic region. Here we construct a
one-electron model potential for several linear molecules using density
functional theory (DFT). We show that the asymptotic wavefunction can be
improved with an iteration method and after one iteration accurate asymptotic
wavefunctions and structure parameters are determined. With the new parameters
we examine the alignment-dependent tunneling ionization probabilities for
several molecules and compare with other calculations and with recent
measurements, including ionization from inner molecular orbitals
Design of Strongly Modulating Pulses to Implement Precise Effective Hamiltonians for Quantum Information Processing
We describe a method for improving coherent control through the use of
detailed knowledge of the system's Hamiltonian. Precise unitary transformations
were obtained by strongly modulating the system's dynamics to average out
unwanted evolution. With the aid of numerical search methods, pulsed
irradiation schemes are obtained that perform accurate, arbitrary, selective
gates on multi-qubit systems. Compared to low power selective pulses, which
cannot average out all unwanted evolution, these pulses are substantially
shorter in time, thereby reducing the effects of relaxation. Liquid-state NMR
techniques on homonuclear spin systems are used to demonstrate the accuracy of
these gates both in simulation and experiment. Simulations of the coherent
evolution of a 3-qubit system show that the control sequences faithfully
implement the unitary operations, typically yielding gate fidelities on the
order of 0.999 and, for some sequences, up to 0.9997. The experimentally
determined density matrices resulting from the application of different control
sequences on a 3-spin system have overlaps of up to 0.99 with the expected
states, confirming the quality of the experimental implementation.Comment: RevTeX3, 11 pages including 2 tables and 5 figures; Journal of
Chemical Physics, in pres
Direct observation of hierarchical protein dynamics
One of the fundamental challenges of physical biology is to understand the relationship between protein dynamics and function. At physiological temperatures, functional motions arise from the complex interplay of thermal motions of proteins and their environments. Here, we determine the hierarchy in the protein conformational energy landscape that underlies these motions, based on a series of temperature-dependent magic-angle spinning multinuclear nuclear-magnetic-resonance relaxation measurements in a hydrated nanocrystalline protein. The results support strong coupling between protein and solvent dynamics above 160 kelvin, with fast solvent motions, slow protein side-chain motions, and fast protein backbone motions being activated consecutively. Low activation energy, small-amplitude local motions dominate at low temperatures, with larger-amplitude, anisotropic, and functionally relevant motions involving entire peptide units becoming dominant at temperatures above 220 kelvin
Occult Cerebrovascular Disease and Late-Onset Epilepsy: Could Loss of Neurovascular Unit Integrity Be a Viable Model?
Late-onset epilepsy (LOE) first occurs after 60 years of age and may be due to occult cerebrovascular disease (CVD) which confers an increased risk of stroke. However, patients with late-onset epilepsy are not currently consistently investigated or treated for cerebrovascular risk factors. We discuss how abnormalities of neurovascular unit
function, namely, changes in regional cerebral blood flow and blood brain barrier
disruption, may be caused by occult cerebrovascular disease but present clinically as
late-onset epilepsy. We describe novel magnetic resonance imaging methods to
detect abnormal neurovascular unit function in subjects with LOE and controls. We hypothesise that occult CVD may cause LOE as a result of neurovascular unit dysfunction
Similarities and differences between molecular order in the nematic and twist-bend nematic phases of a symmetric liquid crystal dimer
The order parameter, Szz, where z is the para axis of the difluoroterphenyl groups in DTC5C9, have been obtained from chemical shift anisotropies measured by ¹³C – {¹1H} NMR experiments at temperatures throughout the nematic, NU, and twist-bend nematic, NTB, phases shown by this compound. The order parameter temperature profiles are unusual in having a maximum value in the NU phase and then decreasing until the NTB phase is reached. There is a small discontinuity (~2%) in Szz at T_(NN_TB )and then a gradual decrease until a new phase appears. This behaviour is interpreted as revealing a temperature-dependent tilting of local directors in both phases away from the applied magnetic field direction. In the enantiomorphic twist-bend phase this tilt is consistent with the structure of the phase as a helical arrangement of local directors, whilst in the high-temperature non-chiral nematic the tilt must involve a non-chiral arrangement. It is proposed that in both phases the tilting of directors has a common origin in the bent shape of the molecules
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