scholarly journals Virtual decoupling to break the Simplification Versus Resolution Trade Off in NMR of Complex Metabolic Mixtures

2021 ◽  
Author(s):  
Cyril Charlier ◽  
Neil Cox ◽  
Sophie Martine Prud'homme ◽  
Alain Geffard ◽  
Jean-Marc Nuzillard ◽  
...  
Keyword(s):  
Dreissena Polymorpha ◽  
Complex Mixture ◽  
Metabolite Identification ◽  
Proton Spectrum ◽  
Hsqc Spectrum ◽  
Trade Off ◽  
Spectrum Assignment ◽  
One Dimensional ◽  
The One

Abstract. The HSQC experiment developed by Bodenhausen and Ruben (Bodenhausen and Ruben, 1980) in the early days of modern NMR is without a doubt one of the most widely used experiments, with applications in almost every aspect of NMR including metabolomics. Acquiring this experiment however always implies a trade-off: simplification versus resolution. Here, we present a method that artificially lifts this barrier, and demonstrate its application towards metabolite identification in a complex mixture. Based on the measurement of CLean In-Phase and CLean Anti-Phase (CLIP/CLAP) HSQC spectra (Enthart et al., 2008), we construct a virtually decoupled HSQC (vd-HSQC) spectrum that maintains the highest possible resolution in the proton dimension. Combining this vd-HSQC spectrum with a J-resolved spectrum (Pell and Keeler, 2007) provides useful information for the one-dimensional proton spectrum assignment and for the identification of metabolites in Dreissena polymorpha (Prud’homme et al., 2020).

scholarly journals Virtual decoupling to break the simplification versus resolution trade-off in nuclear magnetic resonance of complex metabolic mixtures

2021 ◽  
Vol 2 (2) ◽  
pp. 619-627
Author(s):  
Cyril Charlier ◽  
Neil Cox ◽  
Sophie Martine Prud'homme ◽  
Alain Geffard ◽  
Jean-Marc Nuzillard ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Dreissena Polymorpha ◽  
Complex Mixture ◽  
Metabolite Identification ◽  
Proton Spectrum ◽  
Hsqc Spectrum ◽  
Trade Off ◽  
The One ◽  
Nuclear Magnetic

Abstract. The heteronuclear single quantum correlation (HSQC) experiment developed by Bodenhausen and Ruben (1980) in the early days of modern nuclear magnetic resonance (NMR) is without a doubt one of the most widely used experiments, with applications in almost every aspect of NMR including metabolomics. Acquiring this experiment, however, always implies a trade-off: simplification versus resolution. Here, we present a method that artificially lifts this barrier and demonstrate its application towards metabolite identification in a complex mixture. Based on the measurement of clean in-phase and clean anti-phase (CLIP/CLAP) HSQC spectra (Enthart et al., 2008), we construct a virtually decoupled HSQC (vd-HSQC) spectrum that maintains the highest possible resolution in the proton dimension. Combining this vd-HSQC spectrum with a J-resolved spectrum (Pell and Keeler, 2007) provides useful information for the one-dimensional proton spectrum assignment and for the identification of metabolites in Dreissena polymorpha (Prud'homme et al., 2020).

Exploring the Multidimensional Facets of Authoritarianism: Authoritarian Aggression and Social Dominance Orientation

2008 ◽  
Vol 67 (1) ◽  
pp. 51-60 ◽  
Author(s):  
Stefano Passini
Keyword(s):  
Social Dominance ◽  
Factor Model ◽  
Three Dimensional ◽  
Social Dominance Orientation ◽  
Model Fit ◽  
Regression Analyses ◽  
One Dimensional ◽  
Confirmatory Factor ◽  
The One ◽  
Better Than

The relation between authoritarianism and social dominance orientation was analyzed, with authoritarianism measured using a three-dimensional scale. The implicit multidimensional structure (authoritarian submission, conventionalism, authoritarian aggression) of Altemeyer’s (1981, 1988) conceptualization of authoritarianism is inconsistent with its one-dimensional methodological operationalization. The dimensionality of authoritarianism was investigated using confirmatory factor analysis in a sample of 713 university students. As hypothesized, the three-factor model fit the data significantly better than the one-factor model. Regression analyses revealed that only authoritarian aggression was related to social dominance orientation. That is, only intolerance of deviance was related to high social dominance, whereas submissiveness was not.

Adiabatic large polarons in anisotropic molecular crystals

2011 ◽  
Vol 35 (1) ◽  
pp. 15-27
Author(s):  
Zoran Ivić ◽  
Željko Pržulj
Keyword(s):  
Energy Transfer ◽  
Effective Mass ◽  
Molecular Crystals ◽  
Single Chain ◽  
Proper Understanding ◽  
One Dimensional ◽  
Interchain Coupling ◽  
Large Polaron ◽  
The One

Adiabatic large polarons in anisotropic molecular crystals We study the large polaron whose motion is confined to a single chain in a system composed of the collection of parallel molecular chains embedded in threedimensional lattice. It is found that the interchain coupling has a significant impact on the large polaron characteristics. In particular, its radius is quite larger while its effective mass is considerably lighter than that estimated within the one-dimensional models. We believe that our findings should be taken into account for the proper understanding of the possible role of large polarons in the charge and energy transfer in quasi-one-dimensional substances.

Modelling Techniques in Applied Glaciology: Numerical Modelling of Avalanches

1983 ◽  
Vol 4 ◽  
pp. 297-297
Author(s):  
G. Brugnot
Keyword(s):  
Finite Difference Method ◽  
Transverse Velocity ◽  
Longitudinal Velocity ◽  
Momentum Conservation ◽  
Dimensional Model ◽  
One Dimensional ◽  
Modelling Techniques ◽  
Reference Grid ◽  
The One ◽  
Near Future

We consider the paper by Brugnot and Pochat (1981), which describes a one-dimensional model applied to a snow avalanche. The main advance made here is the introduction of the second dimension in the runout zone. Indeed, in the channelled course, we still use the one-dimensional model, but, when the avalanche spreads before stopping, we apply a (x, y) grid on the ground and six equations have to be solved: (1) for the avalanche body, one equation for continuity and two equations for momentum conservation, and (2) at the front, one equation for continuity and two equations for momentum conservation. We suppose the front to be a mobile jump, with longitudinal velocity varying more rapidly than transverse velocity.We solve these equations by a finite difference method. This involves many topological problems, due to the actual position of the front, which is defined by its intersection with the reference grid (SI, YJ). In the near future our two directions of research will be testing the code on actual avalanches and improving it by trying to make it cheaper without impairing its accuracy.

Effect of leakage and blockage on the acoustic behavior of particle filters

2019 ◽  
Vol 67 (6) ◽  
pp. 483-492
Author(s):  
Seonghyeon Baek ◽  
Iljae Lee
Keyword(s):  
Transfer Matrix ◽  
Particle Filters ◽  
Acoustic Analysis ◽  
Transmission Loss ◽  
One Dimensional ◽  
Filter System ◽  
The Difference ◽  
The One ◽  
Analytical Approaches ◽  
Good Agreement

The effects of leakage and blockage on the acoustic performance of particle filters have been examined by using one-dimensional acoustic analysis and experimental methods. First, the transfer matrix of a filter system connected to inlet and outlet pipes with conical sections is measured using a two-load method. Then, the transfer matrix of a particle filter only is extracted from the experiments by applying inverse matrices of the conical sections. In the analytical approaches, the one-dimensional acoustic model for the leakage between the filter and the housing is developed. The predicted transmission loss shows a good agreement with the experimental results. Compared to the baseline, the leakage between the filter and housing increases transmission loss at a certain frequency and its harmonics. In addition, the transmission loss for the system with a partially blocked filter is measured. The blockage of the filter also increases the transmission loss at higher frequencies. For the simplicity of experiments to identify the leakage and blockage, the reflection coefficients at the inlet of the filter system have been measured using two different downstream conditions: open pipe and highly absorptive terminations. The experiments show that with highly absorptive terminations, it is easier to see the difference between the baseline and the defects.

The One-dimensional Range Imaging of Linear Target Based on Compressive Sensing

2014 ◽  
Vol 35 (3) ◽  
pp. 568-574 ◽  
Author(s):  
Zhi-zhen Zhu ◽  
Zhi-da Zhang ◽  
Fa-lin Liu ◽  
Bin-bing Li ◽  
Chong-bin Zhou
Keyword(s):  
Compressive Sensing ◽  
Range Imaging ◽  
One Dimensional ◽  
The One ◽  
Dimensional Range

Stabilization of Dominant Structures in an Ionic Reaction-Diffusion System

1998 ◽  
Vol 63 (6) ◽  
pp. 761-769 ◽  
Author(s):  
Roland Krämer ◽  
Arno F. Münster
Keyword(s):  
Reaction Diffusion ◽  
Dominant Mode ◽  
Reaction Diffusion System ◽  
Diffusion System ◽  
Local Perturbation ◽  
Dimensional System ◽  
One Dimensional ◽  
Brusselator Model ◽  
The One ◽  
Dominant Structure

We describe a method of stabilizing the dominant structure in a chaotic reaction-diffusion system, where the underlying nonlinear dynamics needs not to be known. The dominant mode is identified by the Karhunen-Loeve decomposition, also known as orthogonal decomposition. Using a ionic version of the Brusselator model in a spatially one-dimensional system, our control strategy is based on perturbations derived from the amplitude function of the dominant spatial mode. The perturbation is used in two different ways: A global perturbation is realized by forcing an electric current through the one-dimensional system, whereas the local perturbation is performed by modulating concentrations of the autocatalyst at the boundaries. Only the global method enhances the contribution of the dominant mode to the total fluctuation energy. On the other hand, the local method leads to simple bulk oscillation of the entire system.

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