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result(s) for
"Spectroscopy/Spectrometry"
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The quantum vacuum as the origin of the speed of light
2013
We show that the vacuum permeability μ0 and permittivity ε0 may originate from the magnetization and the polarization of continuously appearing and disappearing fermion pairs. We then show that if we simply model the propagation of the photon in vacuum as a series of transient captures within these ephemeral pairs, we can derive a finite photon velocity. Requiring that this velocity is equal to the speed of light constrains our model of vacuum. Within this approach, the propagation of a photon is a statistical process at scales much larger than the Planck scale. Therefore we expect its time of flight to fluctuate. We propose an experimental test of this prediction.
Journal Article
Simulating lattice gauge theories within quantum technologies
by
Reznik, Benni
,
Dalmonte, Marcello
,
Catani, Jacopo
in
Condensed matter physics
,
Gauge theory
,
Interdisciplinary studies
2020
AbstractLattice gauge theories, which originated from particle physics in the context of Quantum Chromodynamics (QCD), provide an important intellectual stimulus to further develop quantum information technologies. While one long-term goal is the reliable quantum simulation of currently intractable aspects of QCD itself, lattice gauge theories also play an important role in condensed matter physics and in quantum information science. In this way, lattice gauge theories provide both motivation and a framework for interdisciplinary research towards the development of special purpose digital and analog quantum simulators, and ultimately of scalable universal quantum computers. In this manuscript, recent results and new tools from a quantum science approach to study lattice gauge theories are reviewed. Two new complementary approaches are discussed: first, tensor network methods are presented – a classical simulation approach – applied to the study of lattice gauge theories together with some results on Abelian and non-Abelian lattice gauge theories. Then, recent proposals for the implementation of lattice gauge theory quantum simulators in different quantum hardware are reported, e.g., trapped ions, Rydberg atoms, and superconducting circuits. Finally, the first proof-of-principle trapped ions experimental quantum simulations of the Schwinger model are reviewed.Graphical abstract
Journal Article
Training Schrödinger’s cat: quantum optimal control
by
Schulte-Herbrüggen, Thomas
,
Glaser, Steffen J
,
Wilhelm, Frank K
in
Control theory
,
Data processing
,
Magnetic resonance
2015
It is control that turns scientific knowledge into useful technology: in physics and engineering it provides a systematic way for driving a dynamical system from a given initial state into a desired target state with minimized expenditure of energy and resources. As one of the cornerstones for enabling quantum technologies, optimal quantum control keeps evolving and expanding into areas as diverse as quantum-enhanced sensing, manipulation of single spins, photons, or atoms, optical spectroscopy, photochemistry, magnetic resonance (spectroscopy as well as medical imaging), quantum information processing and quantum simulation. In this communication, state-of-the-art quantum control techniques are reviewed and put into perspective by a consortium of experts in optimal control theory and applications to spectroscopy, imaging, as well as quantum dynamics of closed and open systems. We address key challenges and sketch a roadmap for future developments.
Journal Article
A complete set of cross-correlated relaxation experiments for determining the protein backbone dihedral angles
by
Ceccolini, Irene
,
Beier, Andreas
,
Kauffmann, Clemens
in
Biochemistry
,
Biological and Medical Physics
,
Biophysics
2025
The investigation of structural propensities of proteins is essential for understanding how they function at the molecular level. NMR, offering atomic-scale information, is often the method of choice. One of the available techniques relies on the cross-correlated relaxation (CCR) effect, whose magnitude is related to local spatial conformation. Application of these methods is difficult if the protein under investigation exhibits high mobility, because NMR observables like CCR rates and chemical shifts present themselves as mere averages of an underlying ensemble distribution. Furthermore, relaxation observables are a convolution of structural and dynamical components. Despite these challenges, it is possible to infer the underlying structural ensemble by combining information from several CCR rates with a different geometrical dependence. In this paper, we present a set of eight CCR experiments tailored for proteins of a highly dynamic nature. Analyzed together, they yield a distribution of backbone dihedral angles for each residue of the protein. The experiments were validated on the folded protein ubiquitin using PDB-deposited NMR structures for comparison. Extraordinary peak separation, achieved by evolving four different chemical shifts, allows for the application of this method to intrinsically disordered proteins in future studies.
Journal Article
CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis
by
Fogh, Rasmus H.
,
Boucher, Wayne
,
Mureddu, Luca G.
in
Biochemistry
,
Biological and Medical Physics
,
Biophysics
2016
NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from
www.ccpn.ac.uk/v3-software/downloads
and is freely available to all non-profit organisations.
Journal Article
Measuring the electric dipole moment of the electron in BaF
by
Hoekstra, Steven
,
Timmermans, Rob G. E
,
Esajas, Kevin
in
Barium
,
CP violation
,
Dipole moments
2018
Abstract We investigate the merits of a measurement of the permanent electric dipole moment of the electron (eEDM) with barium monofluoride molecules, thereby searching for phenomena of CP violation beyond those incorporated in the standard model (SM) of particle physics. Although the BaF molecule has a smaller enhancement factor in terms of the effective electric field than other molecules used in current studies (YbF, ThO and ThF+), we show that a competitive measurement is possible by combining Stark-deceleration, laser-cooling and an intense primary cold source of BaF molecules. With the long coherent interaction times obtainable in a cold beam of BaF, a sensitivity of 5 × 10−30 e⋅cm for an eEDM is feasible. We describe the rationale, the challenges and the experimental methods envisioned to achieve this target. Graphical abstract
Journal Article
Protein backbone and sidechain torsion angles predicted from NMR chemical shifts using artificial neural networks
2013
A new program, TALOS-N, is introduced for predicting protein backbone torsion angles from NMR chemical shifts. The program relies far more extensively on the use of trained artificial neural networks than its predecessor, TALOS+. Validation on an independent set of proteins indicates that backbone torsion angles can be predicted for a larger, ≥90 % fraction of the residues, with an error rate smaller than ca 3.5 %, using an acceptance criterion that is nearly two-fold tighter than that used previously, and a root mean square difference between predicted and crystallographically observed (
ϕ
,
ψ
) torsion angles of ca 12º. TALOS-N also reports sidechain χ
1
rotameric states for about 50 % of the residues, and a consistency with reference structures of 89 %. The program includes a neural network trained to identify secondary structure from residue sequence and chemical shifts.
Journal Article
Combined automated NOE assignment and structure calculation with CYANA
2015
The automated assignment of NOESY cross peaks has become a fundamental technique for NMR protein structure analysis. A widely used algorithm for this purpose is implemented in the program CYANA. It has been used for a large number of structure determinations of proteins in solution but was so far not described in full detail. In this paper we present a complete description of the CYANA implementation of automated NOESY assignment, which differs extensively from its predecessor CANDID by the use of a consistent probabilistic treatment, and we discuss its performance in the second round of the critical assessment of structure determination by NMR.
Journal Article
SAGE: A proposal for a space atomic gravity explorer
by
Wilkowski, David
,
Lu, Xuanhui
,
Rosi, Gabriele
in
Atomic clocks
,
Dark matter
,
Gravitational waves
2019
Abstract The proposed mission “Space Atomic Gravity Explorer” (SAGE) has the scientific objective to investigate gravitational waves, dark matter, and other fundamental aspects of gravity as well as the connection between gravitational physics and quantum physics using new quantum sensors, namely, optical atomic clocks and atom interferometers based on ultracold strontium atoms. Graphical abstract
Journal Article
Sparse multidimensional iterative lineshape-enhanced (SMILE) reconstruction of both non-uniformly sampled and conventional NMR data
by
Bax, Ad
,
Torchia, Dennis A.
,
Delaglio, Frank
in
Algorithms
,
Biochemistry
,
Biological and Medical Physics
2017
Implementation of a new algorithm, SMILE, is described for reconstruction of non-uniformly sampled two-, three- and four-dimensional NMR data, which takes advantage of the known phases of the NMR spectrum and the exponential decay of underlying time domain signals. The method is very robust with respect to the chosen sampling protocol and, in its default mode, also extends the truncated time domain signals by a modest amount of non-sampled zeros. SMILE can likewise be used to extend conventional uniformly sampled data, as an effective multidimensional alternative to linear prediction. The program is provided as a plug-in to the widely used NMRPipe software suite, and can be used with default parameters for mainstream application, or with user control over the iterative process to possibly further improve reconstruction quality and to lower the demand on computational resources. For large data sets, the method is robust and demonstrated for sparsities down to ca 1%, and final all-real spectral sizes as large as 300 Gb. Comparison between fully sampled, conventionally processed spectra and randomly selected NUS subsets of this data shows that the reconstruction quality approaches the theoretical limit in terms of peak position fidelity and intensity. SMILE essentially removes the noise-like appearance associated with the point-spread function of signals that are a default of five-fold above the noise level, but impacts the actual thermal noise in the NMR spectra only minimally. Therefore, the appearance and interpretation of SMILE-reconstructed spectra is very similar to that of fully sampled spectra generated by Fourier transformation.
Journal Article