Determination of C-13 Chemical Shift Anisotropy Tensors and Molecular Order of 4-Hexyloxybenzoic Acid

4-Alkoxy benzoic acids belong to an important class of thermotropic liquid crystals that are structurally simple and often used as starting materials for many novel mesogens. 4-Hexyloxybenzoic acid (HBA) is a homologue of the same series and exhibits an enantiotropic nematic phase. As this molecule could serve as an ideal model compound, high resolution C-13 NMR studies of HEA in solution, solid, and liquid crystalline phases have been undertaken. In the solid state, two-dimensional separation of undistorted powder patterns by effortless recoupling (2D SUPER) experiments have been carried out to estimate the magnitude of the components of the chemical shift anisotropy (GSA) tensor of all the aromatic carbons. These values have been used subsequently for calculating the orientational order parameters in the liquid crystalline phase. The GSA values computed by density functional theory (DFT) calculations showed good agreement with the 2D SUPER values. Additionally, C-13-H-1 dipolar couplings in the nematic phase have been determined by separated local field (SLF) spectroscopy at various temperatures and were used for computing the order parameters, which compared well with those calculated by using the chemical shifts. It is anticipated that the CSA values determined for MBA would be useful for the assignment of carbon chemical shifts and for the study of order and dynamics of structurally similar novel mesogens in their nematic phases.

Structural characterization and molecular order of rodlike mesogens with three- and four-ring core by XRD and C-13 NMR spectroscopy

Structural characterizations using XRD and C-13 NMR spectroscopy of two rodlike mesogens consisting of (i) three phenyl ring core with a polar cyano terminal and (ii) four phenyl ring core with flexible dodecyl terminal chain are presented. The three-ring-core mesogen with cyano terminal exhibits enantiotropic smectic A phase while the four-ring mesogen reveals polymesomorphism and shows enantiotropic nematic, smectic C, and tilted hexatic phases. The molecular organization in the three-ring mesogen is found to be partial bilayer smectic Ad type, and the interdigitation of the molecules in the neighboring layers is attributed to the presence of the polar terminal group. For the four-ring mesogen, the XRD results confirm the existence of the smectic C and the tilted hexatic mesophases. A thermal variation of the layer spacing across the smectic C phase followed by a discrete jump at the transition to the tilted hexatic phase is also observed. The tilt angles have been estimated to be about 45 degrees in the smectic C phase and about 40 degrees in tilted hexatic phase. C-13 NMR results indicate that in the mesophase the molecules are aligned parallel to the magnetic field. From the C-13-H-1 dipolar couplings determined from the 2D experiments, the overall order parameter for the three-ring mesogen in its smectic A phase has been estimated to be 0.72 while values ranging from 0.88 to 0.44 have been obtained for the four-ring mesogen as it passes from the tilted hexatic to the nematic phase. The orientations of the different rings of the core unit with respect to each other and also with respect to the long axis of the molecule have also been obtained.

Quantifying the Transmit Diversity Order of Euclidean Distance Based Antenna Selection in Spatial Modulation

In this letter, we quantify the transmit diversity order of the SM system operating in a closed-loop scenario. Specifically, the SM system relying on Euclidean distance based antenna subset selection (EDAS) is considered and the achievable diversity gain is evaluated. Furthermore, the resultant trade-off between the achievable diversity gain and switching gain is studied. Simulation results confirm our theoretical results. Specifically, at a symbol error rate of about 10(-4) the signal-to-noise ratio gain achieved by EDAS is about 7 dB in case of 16-QAM and about 5 dB in case of 64-QAM.

A novel line-order of InAs quantum dots on GaAs

A novel line-order of InAs quantum dots (QDs) along the [1, 1, 0] direction on GaAs substrate has been prepared by self-organized growth. After 2.5 monolayer InAs deposition, QDs in the first layer of multi-layer samples started to gather in a line. Owing to the action of strong stress between layers, almost all the dots of the fourth layer gathered in lines. The dots lining up tightly are actually one-dimensional superlattice of QDs, of which the density of electronic states is different from that of isolated QDs or quantum wires. The photoluminescence spectra of our multi-layer QD sample exhibited a feature of very broad band so that it is suitable for the active medium of super luminescent diode. The reason of dots lining up is attributed to the hill-and-valley structure of the buffer, anisotropy and different diffusion rates in the different directions on the buffer and strong stress between QD layers. (C) 2002 Published by Elsevier Science B. V.

Structure and order of the discotic compound 2,3,6,7,10,11-hexakispentyloxytriphenylene as revealed by diffraction and molecular simulation studies

The aggregate structure of the discotic compound 2,3,6,7,10,11-hexakispentyloxytriphenylene (HPT) was studied both for the crystalline state and the liquid crystalline state by using electron crystallography and a molecular simulation approach. In the crystalline state, HPT was found to adopt an orthorhombic P-2212 space group with cell parameters a = 36.73 Angstrom, b = 27.99 Angstrom and c = 4.91 Angstrom. Molecular packing calculations were conducted to elucidate the molecular conformation and mutual orientational characteristics in the different states. Phase transitions and relationships are discussed from a structural point of view.

Compositional model repositories via dynamic constraint satisfaction with order-of-magnitude preferences

J. Keppens and Q. Shen. Compositional model repositories via dynamic constraint satisfaction with order-of-magnitude preferences. Journal of Artificial Intelligence Research, 21:499-550, 2004.

Deterministic Computations Whose History Is Independent of the Order of Asynchronous Updating

Consider a network of processors (sites) in which each site x has a finite set N(x) of neighbors. There is a transition function f that for each site x computes the next state ξ(x) from the states in N(x). But these transitions (updates) are applied in arbitrary order, one or many at a time. If the state of site x at time t is η(x; t) then let us define the sequence ζ(x; 0); ζ(x; 1), ... by taking the sequence η(x; 0),η(x; 1), ... , and deleting each repetition, i.e. each element equal to the preceding one. The function f is said to have invariant histories if the sequence ζ(x; i), (while it lasts, in case it is finite) depends only on the initial configuration, not on the order of updates. This paper shows that though the invariant history property is typically undecidable, there is a useful simple sufficient condition, called commutativity: For any configuration, for any pair x; y of neighbors, if the updating would change both ξ(x) and ξ(y) then the result of updating first x and then y is the same as the result of doing this in the reverse order. This fact is derivable from known results on the confluence of term-rewriting systems but the self-contained proof given here may be justifiable.

Young children's reasoning about the order of past events

Four studies are reported that employed an object location task to assess temporal-causal reasoning. In Experiments 1-3, successfully locating the object required a retrospective consideration of the order in which two events had occurred. In Experiment 1, 5- but not 4-year-olds were successful; 4-year-olds also failed to perform at above-chance levels in modified versions of the task in Experiments 2 and 3. However, in Experiment 4, 3-year-olds were successful when they were able to see the object being placed first in one location and then in the other, rather than having to consider retrospectively the sequence in which two events had happened. The results suggest that reasoning about the causal significance of the temporal order of events may not be fully developed before 5 years. (C) 2007 Elsevier Inc. All rights reserved.

Children’s Reasoning About the Temporal Order of Past and Future Events

Four- and five-year-olds completed two sets of tasks that involved reasoning about the temporal order in which events had occurred in the past or were to occur in the future. Four-year-olds succeeded on the tasks that involved reasoning about the order of past events but not those that involved reasoning about the order of future events, whereas 5-year-olds passed both types of tasks. Individual children who failed the past-event tasks were not particularly likely to fail the more difficult future-event tasks. However, children's performance on the reasoning tasks was predictive of their performance on a task assessing their comprehension of the terms “before” and “after.” Our results suggest that there may be a developmental change over this age range in the ability to flexibly represent and reason about the before-and-after relationships between events.

Inorganic arsenic in rice bran and its products are an order of magnitude higher than in bulk grain

Rice is more elevated in arsenic than all other grain crops tested to date, with whole grain (brown) rice having higher arsenic levels than polished (white). It is reported here that rice bran, both commercially purchased and specifically milled for this study, have levels of inorganic arsenic, a nonthreshold, class 1 carcinogen, reaching concentrations of approximately 1 mg/kg dry weight, around 10-20 fold higher than concentrations found in bulk grain. Although pure rice bran is used as a health food supplement, perhaps of more concern is rice bran solubles, which are marketed as a superfood and as a supplement to malnourished children in international aid programs. Five rice bran solubles products were tested, sourced from the United States and Japan, and were found to have 0.61-1.9 mg/kg inorganic arsenic. Manufactures recommend approximately 20 g servings of the rice bran solubles per day, which equates to a 0.012-0.038 mg intake of inorganic arsenic. There are no maximum concentration levels (MCLs) set for arsenic or its species in food stuffs. EU and U.S. water regulations, set at 0.01 mg/L total or inorganic arsenic, respectively, are based on the assumption that 1 L of water per day is consumed, i.e., 0.01 mg of arsenic/ day. At the manufacturers recommended rice bran solubles consumption rate, inorganic arsenic intake exceeds 0.01 mg/ day, remembering that rice bran solubles are targeted at malnourished children and that actual risk is based on mg kg(-1) day(-1) intake.