Search results for "principal"

Multivariate Methods and Molecular Modeling Techniques in the study of Antitumor Agents

2008

Two-step principal component analysis (PCA) as a method for separating auditory N1 and N250 elicited from 9-year-old children using a dense electrode…

2008

Detection of damage in civil engineering structures by PCA on enviromental vibration data

2018

The dynamic behavior of civil engineering structures are usually studied by means of ambient vibration observations and their performance is analyzed by Peak Picking and/or Operational Modal Analysis methods. This paper reports the first results of a statistical multivariate approach, specifically Principal Component Analysis, to detect a suspected structural damage on a sicilian highway bridge. Furthermore, the damage simulated in a simple structural model made it possible to understand the characteristics of the method consisting in comparing the observed data on an undamaged structure with those coming from a damaged one.

Incentives, criminal defence lawyers and plea bargaining

2008

Plea bargaining has become a central feature of criminal procedure in Anglo-Saxon jurisdictions. This paper explores an area seldom discussed in the economic literature on plea bargaining: the influence of the defence lawyer's fee contract on the terms of the bargain. In particular, it uses data from one jurisdiction of the impact on case trajectories of changes in publicly funded defence lawyers’ contracts to test the proposition that the nature of the lawyer's contract influences how cases are managed. An event study methodology on a pooled time-series cross-section data set of case trajectories before and after the change in the nature of the contract is used to examine whether the new p…

Vérification des créances. Extinction par forclusion de la créance d'un sous-traitant contre l'entrepreneur principal en redressement judiciaire, Sub…

1991

International audience; (Versailles, 4 juill. 1991 ; Soc. des Ciments Français c/ SARL STECMI, Soc. Creusot Loire et Soc. EURAGE ; Paris, 27 nov. 1990, Soc. Parisienne d'Armatures pour Béton Armé c/ Soc. d'Energie Nucléaire Franco-belge des Ardennes)

Reconstructing the free-energy landscape of Met-enkephalin using dihedral principal component analysis and well-tempered metadynamics

2013

Well-Tempered Metadynamics (WTmetaD) is an efficient method to enhance the reconstruction of the free-energy surface of proteins. WTmetaD guarantees a faster convergence in the long time limit in comparison with the standard metadynamics. It still suffers however from the same limitation, i.e. the non trivial choice of pertinent collective variables (CVs). To circumvent this problem, we couple WTmetaD with a set of CVs generated from a dihedral Principal Component Analysis (dPCA) on the Ramachadran dihedral angles describing the backbone structure of the protein. The dPCA provides a generic method to extract relevant CVs built from internal coordinates. We illustrate the robustness of this …

Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field.

2010

Coarse-grained molecular dynamics simulations offer a dramatic extension of the time-scale of simulations compared to all-atom approaches. In this article, we describe the use of the physics-based united-residue (UNRES) force field, developed in our laboratory, in protein-structure simulations. We demonstrate that this force field offers about a 4000-times extension of the simulation time scale; this feature arises both from averaging out the fast-moving degrees of freedom and reduction of the cost of energy and force calculations compared to all-atom approaches with explicit solvent. With massively parallel computers, microsecond folding simulation times of proteins containing about 1000 r…

7keto-stigmasterol and 7keto-cholesterol induce differential proteome changes to intestinal epitelial (Caco-2) cells

2015

Abstract Recent studies have expanded the appreciation of the roles of oxysterols triggering inflammatory, immune cytotoxic and apoptotic processes, but have not been considered for proteome analysis. A comparative proteomic study in intestinal epithelial cell cultures incubated (60 μM/24 h) with 7keto-cholesterol or 7keto-stigmasterol was performed. The influence of both compounds was studied following the nLC-TripleTOF analysis. Findings were compared to results for control cultures. In the principal component analysis (PCA) of proteome patterns, two components were extracted accounting for 99.8% of the variance in the protein expression. PCA analysis clearly discriminated between the per…

Transport of high molecular mass lignin material in the receiving water system of a mechanical pulp mill

1998

High molecular mass material (HMM) of water samples collected from the receiving water system of a mechanical pulp mill was characterized applying cupric oxide oxidation combined with GC and HPLC analysis of the oxidation products. This qualitative method was used to follow the transport of organic HMM discharged by the mill. The interpretation of results was complicated by degradation reactions of HMM in the water system and the assimilation of HMM produced by the mill to natural humic compounds. The analytical data was subjected to the principal component analysis (PCA) to verify the results obtained.

PCA and PLS methods applied to ecotoxicological data: Ecobalance project

1996

Within a case study ‘Ecobalance’, the fate and effects of various chlorinated and non-chlorinated organic compounds and some heavy metals discharged from pulp and paper mills into water, sediment and aquatic animals were studied in a recipient area of southern Lake Saimaa, SE Finland. The main aim of the project was to find an empirical link between chemical emission parameters and ecotoxicological effects expressed in the ecosystem. As part of the \‘Ecobalance’ project, principal component analysis (PCA) and partial least squares (PLS) methods were used to interpret the data of the lake area. The PLS method was used to estimate the lake area affected by mill effluents and to calculate the …