Search results for "Wave"

New role of sawtooth transcription factors in the shift to photoautotrophic growth in plants

2016

Nanoprobing the acidification process during intracellular uptake and trafficking

2015

Abstract Many nanoparticular drug delivery approaches rely on a detailed knowledge of the acidification process during intracellular trafficking of endocytosed nanoparticles (NPs). Therefore we produced a nanoparticular pH sensor composed of the fluorescent pH-sensitive dual wavelength dye carboxy seminaphthorhodafluor-1 (carboxy SNARF-1) coupled to the surface of amino-functionalized polystyrene NPs (SNARF-1-NP). By applying a calibration fit function to confocal laser scanning microscopy (CLSM) images, local pH values were determined. The acidification and ripening process of endo/lysosomal compartments containing nanoparticles was followed over time and was found to progress up to 6h to …

Hybrid Quantum Mechanics/Molecular Mechanics Simulations with Two-Dimensional Interpolated Corrections:  Application to Enzymatic Processes

2006

Hybrid quantum mechanics/molecular mechanics (QM/MM) techniques are widely used to study chemical reactions in large systems. Because of the computational cost associated with the high dimensionality of these systems, the quantum description is usually restricted to low-level methods, such as semiempirical Hamiltonians. In some cases, the description obtained at this computational level is quite poor and corrections must be considered. We here propose a simple but efficient way to include higher-level corrections to be used in potential energy surface explorations and in the calculation of potentials of mean force. We evaluate a correction energy term as the difference between a high-level …

The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2)

1995

A detailedab initio study of the molecular structure and rotational barriers of biphenyl has been performed. First, non-dynamical correlation effects involving the π system are taken into account at the CASSCF level. These wave functions are subsequently employed as reference functions in a multiconfigurational second-order perturbation treatment (CASPT2). The performance single-reference approaches is in addition analysed. The molecular geometries of biphenyl in twisted, coplanar, and perpendicular conformations have been optimized at the CASSCF level. A rotational angle of 44.3° is predicted for the minimum energy conformer in agreement with gas-phase electron diffraction data (44.4±1.2°)…

A theoretical study of the electronic spectrum of biphenyl

1995

Abstract The electronic spectrum of biphenyl in the energy range up to 6.0 eV has been studied using multiconfigurational second-order perturbation theory (CASPT2) and a basis set of ANO type, including polarization functions on all carbon atoms. The calculated spectrum gives conclusive assignments to all valence excited singlet states and the low-lying triplet states. The change of the torsional angle between the two benzene rings in the different excited states is shown to be of considerable importance and explains the different excitation energies observed in the gas phase as compared to solution or crystalline biphenyl at low temperatures. The intense transition to the 1 1B1u state is m…

Guided Optical Waves in a Ferroelectric Liquid Crystal Layer: A Birefringence Analysis of Molecular Orientation on the Switching Process

1995

Abstract Guided optical waves are very sensitive to the alteration of optical properties of dielectric media. In this report, we demonstrate the use of guided waves for studying dynamic behavior of ferroelectric liquid crystals. Propagating light in the anisotropic medium suffers a birefringent effect, which causes coupling of p- and s-polarized light. Theoretical calculations, based on the Maxwell equations, successfully describe this phenomena, using a dielectric tensor diagonal in molecular coordinates, which is transformed to the laboratory coordinate system by three Euler angles. The waveguide measurements are able to probe the molecular orientation and movement of the liquid crystal m…

Dyakonov-like surface waves in semi-infinite metal-dielectric lattices

2012

We demonstrated the existence of Dyakonov-like surface waves propagating at the boundary between a metal-insulator lattice and an isotropic dielectric. A range of propagation angles substantially greater than that for conventional birefringent materials is obtained, and with reasonably small losses.

Azobenzene Containing Low-Molecular Weight Organic Glasses for Optical Recording

2013

Abstract In this work photoinduced processes and holographic surface relief formation in azobenzene containing low- molecular weight organic glasses were studied. The molecular glasses due to trans-cis isomerisation and photo- orientation of molecules possess high sensitivity to the light irradiation and therefore they are promising media for holographic recording. Electric field of linearly polarized light causes an alignment of molecule dipoles perpendicularly to the electric field vector and this process is accompanied by an appearance of photoinduced optical anisotropy in organic glasses. The photoinduced birefringence and dichroism induced by 532 nm light was studied. Holographic recor…

Experimental and theoretical study of the nonlinear birefringence in the formation process of vector solitons in a total polarization control ring ca…

2022

Abstract In this work, we present the numerical and experimental investigation of the polarization dynamics in a free birefringence mode-locked fiber laser. The laser includes a double-pass Erbium-doped fiber amplifier and 20-m long bi-twisted fiber at a twist rate of ± 6 turns m−1 to mitigate both, linear and circular birefringence effects. We found ellipticity changes due to nonlinear birefringence in the 20-m long fiber during pulse formation and propagation. In contrast with previously reported works, the inclusion of bi-twisted fiber allows investigate the nonlinear effects independently from the linear ones. The experimental behavior was confirmed by numerical simulations based on spl…

Nonlinear mode coupling in a birefringent microstructured fiber tuned by externally applied hydrostatic pressure

2015

We studied the effect of power coupling between two linearly polarized modes, which occurs during nonlinear propagation in an externally tuned birefringent microstructured fiber. We investigated both experimentally and numerically the possibility of measuring hydrostatic pressure by tracking the nonlinear power coupling between the fiber polarization modes. We analyzed the impact of the fiber length exposed to pressure and the input polarization state on the coupling efficiency. We also revealed that the observation of nonlinear power coupling between the polarization modes is limited by linear coupling occurring in the leadthroughs to the pressure chamber. Moreover, we demonstrated that th…