Search results for "IPO"

Actions différentielles de xéno-hormones alimentaires sur les organes reproducteurs, le foie et le tissu adipeux chez le rat femelle : aspects endocr…

2007

Differential actions of dietary xenohormones on the reproductive organs, the liver and the adipose tissue in the female rat : endocrine, metabolic and morphogenetic aspects regarding the carcinogenic process. Over the past décades, the incidence of hormone-dependent cancers has dramatically increased in Western countries as compared to Asian countries. Environmental and dietary compounds able to mimic and interfère with endogenous hormones, especially reproductive ones, may be involved and among these xenohormones. xenoestrogens (XE) are particularly pointed at. The objective of this thesis was to détermine the conséquences of chronic dietary exposure to phytoestrogens and chemical xenoestr…

Use of Density Functional Based Tight Binding Methods in Vibrational Circular Dichroism.

2018

Vibrational circular dichroism (VCD) is a spectroscopic technique used to resolve the absolute configuration of chiral systems. Obtaining a theoretical VCD spectrum requires computing atomic polar and axial tensors on top of the computationally demanding construction of the force constant matrix. In this study we evaluated a VCD model in which all necessary quantities are obtained with density functional based tight binding (DFTB) theory. The analyzed DFTB parametrizations fail at providing accurate vibrational frequencies and electric dipole gradients but yield reasonable normal modes at a fraction of the computational cost of density functional theory (DFT). Thus, by applying DFTB in comp…

Injected 1+ ion beam as a diagnostics tool of charge breeder ECR ion source plasmas

2015

International audience; Charge breeder electron cyclotron resonance ion sources (CB-ECRIS) are used as 1+  →n+  charge multiplication devices of post-accelerated radioactive ion beams. The charge breeding process involves thermalization of the injected 1+  ions with the plasma ions in ion–ion collisions, subsequent ionization by electron impact and extraction of the n+  ions. Charge breeding experiments of 85Rb and 133Cs ion beams with the 14.5 GHz PHOENIX CB-ECRIS operating with oxygen gas demonstrate the plasma diagnostics capabilities of the 1+  injection method. Two populations can be distinguished in the m/q-spectrum of the extracted ion beams, the low (1+  and 2+) charge states repres…

Partial discharge of gel insulated high voltage power modules subjected to unconventional voltage waveforms

2016

Performances and duration of the new generation of high voltage power electronic components are dependent on dielectric materials aim to insulating their internal terminals. The presence of defects, some due to faults generated during the manufacturing process, but also due to the internal design of layers and connections, can cause local enhancements of electric field and consequently possible activity of partial discharges phenomena or other effects (aging, tracking) that may result in reduction of device reliability. Furthermore, the usage of unconventional voltage waveforms, like square waves or pulse width modulated waves, additionally increases the electrical aging of the insulation s…

Permanent magnet system to guide superparamagnetic particles

2017

A new concept of permanent magnet systems for guiding superparamagnetic particles on arbitrary trajectories is proposed. The basic concept is to use one magnet system with a strong and homogeneous (dipolar) magnetic field to magnetize and orient the particles. A second constantly graded field (quadrupolar) is superimposed to the first to generate a force. In this configuration the motion of the particles is driven solely by the component of the gradient field which is parallel to the direction of the homogeneous field. Then the particles are guided with constant force in a single direction over the entire volume. The direction can be adjusted by varying the angle between quadrupole and dipo…

2019

We present a design for producing precisely adjustable and alternating single-axis magnetic fields based on nested Halbach dipole pairs consisting of permanent magnets only. Our design allows for three dimensional optical and mechanical access to a region with strong adjustable dipolar fields, is compatible with systems operating under vacuum, and does not effectively dissipate heat under normal operational conditions. We present a theoretical analysis of the properties and capabilities of our design and construct a proof-of-concept prototype. Using our prototype, we demonstrate fields of up to several kilogauss with field homogeneities of better than 5%, which are harmonically modulated at…

Ab initio multi-reference perturbation theory calculations of the ground and low-lying electronic states of the KRb molecule

2016

The potential energy curves of the low-lying electronic states correlating up to the limit K(4p) + Rb(5s) of KRb molecule have been calculated using the multi-reference perturbation theory method at the CASSCF/ XMCQDPT2 level of theory without and with spin–orbit coupling. The calculated parameters of the ground X 1 R + state are in the best agreement among all previously performed ab initio calculations for the KRb molecule. The calculated vibrational intervals of the ground electronic term of the 39 K 85 Rb molecule describe the experiment with the accuracy within ±1 cm ?1 . The calculated intensities of the 2 1 R + (v 0 = 3, J 0 = 26) ? X 1 R + (v 00 = 0...24, J 00 = 25, 27) transitions …

Dynamic Polarizability and Higher-Order Electric Properties of Fluorene, Carbazole, and Dibenzofuran

2019

Static electric properties, from the dipole moment to the second-hyperpolarizability tensor γ, of the 3-membered, isoelectronic ring molecules, fluorene (FL), carbazole (CR), and dibenzofuran (DBF), have been calculated at various levels of approximation. The electron correlation effects have been included at the coupled-cluster (CC) level, using CCSD and CC2 versions of the method. DFT calculations with the CAM-B3LYP functional have also been performed, and the results are compared to the CC values. The electric property-tailored Pol basis set and its more compact Z3Pol version have been employed in all static calculations. Differences between dipole polarizability values computed at the P…

Steering the excited state dynamics of a photoactive yellow protein chromophore analogue with external electric fields

2014

Abstract The first excited state of the Photoactive Yellow Protein chromophore exhibits a strong charge transfer character and the dipole moments of the excited and ground states differ significantly. Furthermore, the excited state charge distribution changes during the isomerization of this chromophore. These observations suggest that external electric fields can be used to control photo-isomerization, providing a new concept for developing photochromic devices, such as e-paper or optical memory. To test this idea, we performed excited state dynamics simulations and static calculations of a PYP chromophore analogue (pCK − ) in an external electric field. By adjusting direction and strength…

Nonlinear response theory for Markov processes II: Fifth-order response functions

2017

The nonlinear response of stochastic models obeying a master equation is calculated up to fifth-order in the external field thus extending the third-order results obtained earlier (G. Diezemann, Phys. Rev. E{\bf 85}, 051502 (2012)). For sinusoidal fields the $5\om$-component of the susceptibility is computed for the model of dipole reorientations in an asymmetric double well potential and for a trap model with a Gaussian density of states. For most realizations of the models a hump is found in the higher-order susceptibilities. In particular, for the asymmetric double well potential model there are two characteristic temperature regimes showing the occurence of such a hump as compared to a …