Optical absorption spectra of linear and cyclic thiophenes—selection rules manifestation

We theoretically study the size-dependent relation between absorption spectra of thiophene-based oligomers and the corresponding cyclothiophenes. In our approach based on a Frenkel exciton Hamiltonian, we demonstrate that the geometry and selection rules determine the observed relations between the spectra.     

Dirac on Gauges and Constraints

We examine the relevance of Dirac's view on the use of transformation theory and invariants in modern physics to current reflections on the meaning of physical symmetries, especially gauge symmetries.     

Conformational analysis of 4,4‐dimethyl‐4‐silathiane and its S‐oxides

4,4‐Dimethyl‐4‐silathiane and its S‐oxides [n = 0 ( 1 ), 1 ( 2 ), 2 ( 3 )] were studied experimentally by variable temperature dynamic NMR spectroscopy down to 103 K and the frozen ring inversion was revealed for all three compounds. The barriers for the degenerate ring inversion in 1 and 3 were measured to be 4.8 and 5.0 kcal/mol at the coalescence temperatures of 111 and 116 K, respectively, and practically coincide with the calculated barriers of 4.60 kcal/mol in 1 and 4.46 kcal/mol in 3 . The frozen equilibrium mixture 2‐ax/2‐eq contains 37% of the 2‐ax and 63% of the 2‐eq conformer. The ring inversion barrier proved to be ca. 4.8 kcal/mol. Calculations at the B3LYP/6‐311+G(d,p) level of theory showed the 2‐ax conformer to be 0.90 kcal/mol more stable than the 2‐eq conformer in the gas phase whereas in solution the relative stability of the conformers calculated using the PCM model at the same level of theory is inverted to become 0.19 (in CHCl₃) or 0.36 kcal/mol (in DMSO) in favor of the 2‐eq conformer. The chair–chair interconversion mechanism of sulfoxide 2 includes two intermediate energetically equivalent 1,4‐twist forms and the 2,5‐boat transition state: 2‐ax (chair) ? 2 (1,4‐twist) ? [ 2 (2,5‐boat)]^≠ ? 2 (1,4‐twist) ? 2‐eq (chair). The calculated ring inversion barriers are 5.1 ( 2‐ax → 2‐eq ) and 4.2 kcal/mol ( 2‐eq → 2‐ax ) in the gas phase, and 4.03 and 4.22 kcal/mol, respectively, in chloroform. Copyright © 2011 John Wiley & Sons, Ltd.     

Fluorescent Probe ABM and Estimation of Immune State in Patients with Different Pathologies (Review Article)

The fluorescent probe ABM (3-aminobenzanthrone derivative) one of the fluorescent probes synthesized in Riga Technical University proved to be an excellent, independent model for studying cell membranes. In our work we have investigated the possibility of using the fluorescent probe ABM for detection of immune state in patients with different pathologies. There is a strong correlation among all studied ABM spectral parameters, immunological characteristics, clinical and laboratory investigations of the all observed patients groups. The obtained results suggest that ABM spectral parameters in cell suspension reflect the alterations of the cellular mechanisms of immunity. Therefore fluorescent method could be used as preliminary screening test in immune diagnostics instead of more expensive, time consuming methods (subset detection, radioisotope method etc.) used as routine in clinics. Spectral parameters of ABM reflect a wide range of interrelated (interdependent) characteristics of cells (physico-chemical state and microviscosity of membrane, proliferating and lipid metabolic activity of cells, distribution of cells among subsets). The observed change of the studied parameters reflects alterations of the cellular mechanisms of immunity which is a main focus for its application as preliminary screening test in immune diagnostics. The fluorescence based method is sensitive, less expensive and time consuming, technically simple and convenient.     

Optimization of a holographic memory setup using an LCD and a PVA-based photopolymer

Holographic data pages were stored in a polyvinyl alcohol (PVA)/acrylamide (AA) photopolymer. This material is formed of AA photopolymers which are considered interesting materials for recording holographic memories. A liquid crystal device was used to modify the object beam and store the data pages in the material. During the storage process, some parameters like exposure time, beam ratio and reading beam intensity were controlled to obtain high image quality after the reconstruction process. The bit error rate (BER) was calculated fitting the histograms of the images to determine what parameters improve the quality of the images.     

Carbon-nanotube-based saturable absorbers for near infrared solid state lasers

We demonstrate the passive mode-locking of a diode-pumped Nd⁺³:YAG (central wavelength: 1.32 μm; pulse duration: 50 ps; output energy: up to 70 μJ) laser using a polymer film containing single-wall carbon nanotubes. The mode-locking regime is stable at a pump repetition rate of up to 1 kHz. We also investigate the temporal evolution of the light-induced absorption change of the polymer film containing carbon nanotubes in the spectral range of 1.3–1.5 μm by femtosecond time-resolved pump-probe measurements. The measurements reveal that light-induced transmission exhibits fast and slow components that last 280 fs and more than 10 ps, respectively. The third-order susceptibility of the polymer film containing single wall carbon nanotubes is as high as 10⁻¹¹ esu.     

A Diffusive Strategic Dynamics for Social Systems

We propose a model for the dynamics of a social system, which includes diffusive effects and a biased rule for spin-flips, reproducing the effect of strategic choices. This model is able to mimic some phenomena taking place during marketing or political campaigns. Using a cost function based on the Ising model defined on the typical quenched interaction environments for social systems (Erdös-Renyi graph, small-world and scale-free networks), we find, by numerical simulations, that a stable stationary state is reached, and we compare the final state to the one obtained with standard dynamics, by means of total magnetization and magnetic susceptibility. Our results show that the diffusive strategic dynamics features a critical interaction parameter strictly lower than the standard one. We discuss the relevance of our findings in social systems.