Mott-insulator States of ultracold atoms in optical resonators

We study the low temperature physics of an ultracold atomic gas in the potential formed inside a pumped optical resonator. Here, the height of the cavity potential, and hence the quantum state of the gas, depends not only on the pump parameters, but also on the atomic density through a dynamical ac-Stark shift of the cavity resonance. We derive the Bose-Hubbard model in one dimension and use the strong coupling expansion to determine the parameter regime in which the system is in the Mott-insulator state. We predict the existence of overlapping, competing Mott-insulator states, and bistable behavior in the vicinity of the shifted cavity resonance, controlled by the pump parameters. Outside these parameter regions, the state of the system is in most cases superfluid.     

Preparative conversion of chloralamides to 2,5‐diaryl‐3a,6a‐dihydro‐[1,3]thiazolo[4,5‐d][1,3]thiazoles with the Lawesson reagent

Based on readily available chloralamides, a preparative method for the synthesis of hitherto unknown 2,5‐diaryl‐3a,6a‐dihydro[1,3]thiazolo[4,5‐d][1,3]thiazoles with the Lawesson reagent has been elaborated. © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:677–681, 2008; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/hc.20493     

Physicochemical and Quality Properties of Dried Courgette Slices: Impact of Vacuum Impregnation and Drying Methods

The aim of this study was to determine the effects that the type of impregnating solution and drying method (freeze drying (FD) and vacuum drying (VD) at 45 °C and convective drying (CD) at 50, 60, and 70 °C) had on the physicochemical and quality properties of courgettes. Courgette slices were vacuum-impregnated (6 kPa) in freshly squeezed onion, kale, and onion and kale (50:50) juices with 3% NaCl solution (N). The application of vacuum impregnation (VI) with impregnating solutions from freshly squeezed onions and kale had a beneficial effect on the bioactive values of courgette. The highest contents of quercetin (41.84 μg/g d.m.) and carotenoids (276.04 μg/g d.m.) were found in courgette impregnated with onion juice after freeze drying. The highest values of lutein and zeaxanthin (216.42 μg/g d.m.) were recorded for courgette impregnated with kale juice and convective dried. By analysing the kinetics of convective drying, the best matching of the logistic model was found. Increasing the drying process temperature from 50 to 70 °C reduced the drying time from 15% to 36%, depending on the type of impregnating solution used. Water activity < 0.6 was recorded for courgette dried by freezing, vacuum, and convection at 60 and 70 °C. Conclusions: The vacuum impregnation process and the impregnation solutions from freshly squeezed vegetables can be used to develop new snacks with high levels of bioactive compounds. The FD method is the most appropriate considering both the bioactive compounds content and the obtained colour and water activity.     

Thermal analysis: an effective characterization method of polyvinyl acetate films applied in corrosion inhibition field

Journal of Thermal Analysis and Calorimetry - To prepare a commercial product with economic and technical relevance, polyvinyl acetate (PVAc) was synthesized, under our laboratory conditions,...     

On “generalized Kepler’s third law” and mass dependence of periods of three-body orbits

Meccanica - Five years ago a generalization of Kepler’s third law was formulated (Dmitra?inovi? and ?uvakov in Phys Lett A 379:1939–1945, 2015) for three-body orbits in...     

Semiotic Aggregation in Deep Learning

Convolutional neural networks utilize a hierarchy of neural network layers. The statistical aspects of information concentration in successive layers can bring an insight into the feature abstraction process. We analyze the saliency maps of these layers from the perspective of semiotics, also known as the study of signs and sign-using behavior. In computational semiotics, this aggregation operation (known as superization) is accompanied by a decrease of spatial entropy: signs are aggregated into supersign. Using spatial entropy, we compute the information content of the saliency maps and study the superization processes which take place between successive layers of the network. In our experiments, we visualize the superization process and show how the obtained knowledge can be used to explain the neural decision model. In addition, we attempt to optimize the architecture of the neural model employing a semiotic greedy technique. To the extent of our knowledge, this is the first application of computational semiotics in the analysis and interpretation of deep neural networks.     

SAMPL6: calculation of macroscopic p<Emphasis Type="Italic">K</Emphasis><Subscript>a</Subscript> values from ab initio quantum mechanical free energies

Macroscopic pK_a values were calculated for all compounds in the SAMPL6 blind prediction challenge, based on quantum chemical calculations with a continuum solvation model and a linear correction derived from a small training set. Microscopic pK_a values were derived from the gas-phase free energy difference between protonated and deprotonated forms together with the Conductor-like Polarizable Continuum Solvation Model and the experimental solvation free energy of the proton. pH-dependent microstate free energies were obtained from the microscopic pK_as with a maximum likelihood estimator and appropriately summed to yield macroscopic pK_a values or microstate populations as function of pH. We assessed the accuracy of three approaches to calculate the microscopic pK_as: direct use of the quantum mechanical free energy differences and correction of the direct values for short-comings in the QM solvation model with two different linear models that we independently derived from a small training set of 38 compounds with known pK_a. The predictions that were corrected with the linear models had much better accuracy [root-mean-square error (RMSE) 2.04 and 1.95 pK_a units] than the direct calculation (RMSE 3.74). Statistical measures indicate that some systematic errors remain, likely due to differences in the SAMPL6 data set and the small training set with respect to their interactions with water. Overall, the current approach provides a viable physics-based route to estimate macroscopic pK_a values for novel compounds with reasonable accuracy.     

Anisotropic intermolecular potential from nuclear spin-lattice relaxation in hexafluoride gases

The data on fluorine spin-lattice relaxation times per unit densityT _jσ in pure SF₆ and UF₆ gases can be analyzed to obtain information on the anisotropic part of the intermolecular potential in these systems. A new and more performant potential, Morse-Morse-Spline-van der Waals potential (J. Chem. Phys.94, 1034 (1991)) was used for the isotropic part of the intermolecular interaction. The analysis was made using the Bloom-Oppenheim theory, assuming, that the correlation time of the spin-rotation interaction can be approximated by the average lifetime of a molecule in a givenJ state. We have obtained the strengths of the repulsive and attractive terms in the anisotropic potential. From the strength of the attractive term, the hexadecapole moment of SF6 and UF6 were also obtained, being in good agreement with the values reported earlier, based on other potentials and techniques.