Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering

The idea of a structural landscape is based on the fact that a large number of crystal structures can be associated with a particular organic molecule. Taken together, all these structures constitute the landscape. The landscape includes polymorphs, pseudopolymorphs and solvates. Under certain circumstances, it may also include multicomponent crystals (or co-crystals) that contain the reference molecule as one of the components. Under still other circumstances, the landscape may include the crystal structures of molecules that are closely related to the reference molecule. The idea of a landscape is to facilitate the understanding of the process of crystallization. It includes all minima that can, in principle, be accessed by the molecule in question as it traverses the path from solution to the crystal. Isonicotinamide is a molecule that is known to form many co-crystals. We report here a 2 : 1 co-crystal of this amide with 3,5-dinitrobenzoic acid, wherein an unusual N-H center dot center dot center dot N hydrogen-bonded pattern is observed. This crystal structure offers some hints about the recognition processes between molecules that might be implicated during crystallization. Also included is a review of other recent results that illustrate the concept of the structural landscape.

Exploiting coherence for the simultaneous discovery of latent facets and associated sentiments

Facet-based sentiment analysis involves discovering the latent facets, sentiments and their associations. Traditional facet-based sentiment analysis algorithms typically perform the various tasks in sequence, and fail to take advantage of the mutual reinforcement of the tasks. Additionally,inferring sentiment levels typically requires domain knowledge or human intervention. In this paper, we propose aseries of probabilistic models that jointly discover latent facets and sentiment topics, and also order the sentiment topics with respect to a multi-point scale, in a language and domain independent manner. This is achieved by simultaneously capturing both short-range syntactic structure and long range semantic dependencies between the sentiment and facet words. The models further incorporate coherence in reviews, where reviewers dwell on one facet or sentiment level before moving on, for more accurate facet and sentiment discovery. For reviews which are supplemented with ratings, our models automatically order the latent sentiment topics, without requiring seed-words or domain-knowledge. To the best of our knowledge, our work is the first attempt to combine the notions of syntactic and semantic dependencies in the domain of review mining. Further, the concept of facet and sentiment coherence has not been explored earlier either. Extensive experimental results on real world review data show that the proposed models outperform various state of the art baselines for facet-based sentiment analysis.

Quadrature approximation properties of the spiral-phase quadrature transform

The notion of the 1-D analytic signal is well understood and has found many applications. At the heart of the analytic signal concept is the Hilbert transform. The problem in extending the concept of analytic signal to higher dimensions is that there is no unique multidimensional definition of the Hilbert transform. Also, the notion of analyticity is not so well under stood in higher dimensions. Of the several 2-D extensions of the Hilbert transform, the spiral-phase quadrature transform or the Riesz transform seems to be the natural extension and has attracted a lot of attention mainly due to its isotropic properties. From the Riesz transform, Larkin et al. constructed a vortex operator, which approximates the quadratures based on asymptotic stationary-phase analysis. In this paper, we show an alternative proof for the quadrature approximation property by invoking the quasi-eigenfunction property of linear, shift-invariant systems. We show that the vortex operator comes up as a natural consequence of applying this property. We also characterize the quadrature approximation error in terms of its energy as well as the peak spatial-domain error. Such results are available for 1-D signals, but their counter part for 2-D signals have not been provided. We also provide simulation results to supplement the analytical calculations.

Analysis of the degrees-of-freedom of spatial parallel manipulators in regular and singular configurations

This paper presents a study of the nature of the degrees-of-freedom of spatial manipulators based on the concept of partition of degrees-of-freedom. In particular, the partitioning of degrees-of-freedom is studied in five lower-mobility spatial parallel manipulators possessing different combinations of degrees-of-freedom. An extension of the existing theory is introduced so as to analyse the nature of the gained degree(s)-of-freedom at a gain-type singularity. The gain of one- and two-degrees-of-freedom is analysed in several well-studied, as well as newly developed manipulators. The formulations also present a basis for the analysis of the velocity kinematics of manipulators of any architecture. (C) 2013 Elsevier Ltd. All rights reserved.

A Phase Transition for the Uniform Distribution in the Pattern Maximum Likelihood Problem

In this paper, we consider the setting of the pattern maximum likelihood (PML) problem studied by Orlitsky et al. We present a well-motivated heuristic algorithm for deciding the question of when the PML distribution of a given pattern is uniform. The algorithm is based on the concept of a ``uniform threshold''. This is a threshold at which the uniform distribution exhibits an interesting phase transition in the PML problem, going from being a local maximum to being a local minimum.

Analogous stress and electric field driven structural transformation and decrease in polarization coherence on poling around the morphotropic phase boundary in BiScO3-PbTiO3

The nature of the stress and electric field driven structural and microstructural transformations in the morphotropic phase boundary (MPB) compositions of the high Curie point piezoelectric system BiScO3-PbTiO3 has been examined by ex situ based techniques. Using a powder poling technique, which is based on the concept of exploiting the irreversible structural change that occurs after the application of a strong electric field and stress independently, it was possible to ascertain that both moderate stress and electric field induce identical structural transformation-a fraction of the monoclinic phase transforms irreversibly to the tetragonal phase. Moreover, analysis of the dielectric response before and after poling revealed a counterintuitive phenomenon of poling induced decrease in the spatial coherence of polarization for compositions around the MPB and not so for compositions far away from the MPB range. Exploiting the greater sensitivity of this technique, we demonstrate that the criticality associated with the interferroelectric transition spans a wider composition range than what is conventionally reported in the literature based on bulk x-ray/neutron powder diffraction techniques.

Effect of Anisotropy of Fibers on the Stress-Strain Response of Fiber-Reinforced Soil

Reinforcing soil with fibers is a useful method for improving the strength and settlement response of soil. The soil and fiber characteristics and their interaction are some of the major factors affecting the strength of reinforced soil. The fibers are usually randomly distributed in the soil, and their orientation has a significant effect on the behavior of the reinforced soil. In the paper, a study of the effect of anisotropic distribution of fibers on the stress-strain response is presented. Based on the concept of the modified Cam clay model, an analytical model was formulated for the fiber-reinforced soil, and the effect of fiber orientation on the stress-strain behavior of soil was studied in detail. The results show that, as the inclination of fibers with the horizontal plane increased, the contribution of fibers in improving the strength of fiber-reinforced soil decreased. The effect of fibers is maximum when they are in the direction of extension, and vice versa. (C) 2014 American Society of Civil Engineers.

Towards an exact factorization of the molecular wave function

An exact single-product factorisation of the molecular wave function for the timedependent Schrodinger equation is investigated by using an ansatz involving a phasefactor. By using the Frenkel variational method, we obtain the Schrodinger equations for the electronic and nuclear wave functions. The concept of a potential energy surface (PES) is retained by introducing a modified Hamiltonian as suggested earlier by Cederbaum. The parameter in the phase factor is chosen such that the equations of motion retain the physically appealing Born- Oppenheimer-like form, and is therefore unique.

Combined Effect of Cryogel Matrix and Temperature-Reversible Soluble-Insoluble Polymer for the Development of in Vitro Human Liver Tissue

Hepatic cell culture on a three-dimensional (3D) matrix or as a hepatosphere appears to be a promising in vitro biomimetic system for liver tissue engineering applications. In this study, we have combined the concept of a 3D scaffold and a spheroid culture to develop an in vitro model to engineer liver tissue for drug screening. We have evaluated the potential of poly(ethylene glycol)-alginate-gelatin (PAG) cryogel matrix for in vitro culture of human liver cell lines. The synthesized cryogel matrix has a flow rate of 7 mL/min and water uptake capacity of 94% that enables easy nutrient transportation in the in vitro cell culture. Youngs modulus of 2.4 kPa and viscoelastic property determine the soft and elastic nature of synthesized cryogel. Biocompatibility of PAG cryogel was evaluated through MTT assay of HepG2 and Huh-7 cells on matrices. The proliferation and functionality of the liver cells were enhanced by culturing hepatic cells as spheroids (hepatospheres) on the PAG cryogel using temperature-reversible soluble-insoluble polymer, poly(N-isopropylacrylamide) (PNIPAAm). Pore size of the cryogel above 100 mu m modulated spheroid size that can prevent hypoxia condition within the spheroid culture. Both the hepatic cells have shown a significant difference (P < 0.05) in terms of cell number and functionality when cultured with PNIPAAm. After 10 days of culture using 0.05% PNIPAAm, the cell number increased by 11- and 7-fold in case of HepG2 and Huh-7 cells, respectively. Similarly, after 10 days of hepatic spheroids culture on PAG cryogel, the albumin production, urea secretion, and CYP450 activity were significantly higher in case of culture with PNIPAAm. The developed tissue mass on the PAG cryogel in the presence of PNIPAAm possess polarity, which was confirmed using F-actin staining and by presence of intercellular bile canalicular lumen. The developed cryogel matrix supports liver cells proliferation and functionality and therefore can be used for in vitro and in vivo drug testing.

State Vector: A New Approach to Prediction of the Failure of Brittle Heterogeneous Media and Large Earthquakes

The concept of state vector stems from statistical physics, where it is usually used to describe activity patterns of a physical field in its manner of coarsegrain. In this paper, we propose an approach by which the state vector was applied to describe quantitatively the damage evolution of the brittle heterogeneous systems, and some interesting results are presented, i.e., prior to the macro-fracture of rock specimens and occurrence of a strong earthquake, evolutions of the four relevant scalars time series derived from the state vectors changed anomalously. As retrospective studies, some prominent large earthquakes occurred in the Chinese Mainland (e.g., the M 7.4 Haicheng earthquake on February 4, 1975, and the M 7.8 Tangshan earthquake on July 28, 1976, etc) were investigated. Results show considerable promise that the time-dependent state vectors could serve as a kind of precursor to predict earthquakes.

Style and the “Idea” of the sophist after Plato : the impact of form typology on sophistic teaching and writing on interdisciplinary scholarly work

Resumen: Después de la primera sofística, los sofistas actuaron entre el resto de los pensadores del Mediterráneo como un grupo definido. Dado que hay muchos ejemplos que muestran que los sofistas ejercían sus prácticas y que también eran personas comprometidas en otras actividades, vamos a examinar aquí diversos casos de semejanzas y diferencias entre ellos y otros grupos de pensadores. Nuestras tres preguntas fundamentales son: qué, cómo y por qué los sofistas escribían y enseñaban. Intentaremos responder haciendo un análisis diacrónico de las principales formas y géneros de escritura que produjeron (qué). El cómo lo responderemos en su desenvolvimiento como una actividad comunicativa más allá de las fronteras de las disciplinas de la época. El por qué tendrá su respuesta al enfatizar la necesidad de la actividad de los sofistas en la socialización de la época y en la educación de la antigüedad. Al aseverar que el estilo era la idea de los sofistas, ponemos la noción de idea en Platón en el contexto de idea derivado de los sofistas contemporáneos a él y de los sofistas posteriores (segunda sofística) y centramos el foco en la función de visualidad expresada en su concepto de idea desde las obras sofísticas más tempranas en la época de Platón hasta las contribuciones posteriores.

The principled executive

Resumen: El artículo presenta el problema de la escisión del hombre de negocios entre su esfera pública en el ámbito del management, y el ámbito privado de la vida familiar y religiosa. Señala la importancia del documento pontificio al detectar este problema e intentar establecer modos de mitigarlo. El autor analiza el tema de la vocación empresaria en el mundo actual, que los nuevos líderes deben poseer para poder enfrentar los problemas propios del mundo financiero tras la crisis económica mundial del año 2008. Finalmente, hace referencia a la importancia de la educación, especialmente dentro del marco de las Universidades católicas

A Multimoment Finite-Volume Shallow-Water Model On The Yin-Yang Overset Spherical Grid

A numerical model for shallow-water equations has been built and tested on the Yin-Yang overset spherical grid. A high-order multimoment finite-volume method is used for the spatial discretization in which two kinds of so-called moments of the physical field [i.e., the volume integrated average ( VIA) and the point value (PV)] are treated as the model variables and updated separately in time. In the present model, the PV is computed by the semi-implicit semi-Lagrangian formulation, whereas the VIA is predicted in time via a flux-based finite-volume method and is numerically conserved on each component grid. The concept of including an extra moment (i.e., the volume-integrated value) to enforce the numerical conservativeness provides a general methodology and applies to the existing semi-implicit semi-Lagrangian formulations. Based on both VIA and PV, the high-order interpolation reconstruction can only be done over a single grid cell, which then minimizes the overlapping zone between the Yin and Yang components and effectively reduces the numerical errors introduced in the interpolation required to communicate the data between the two components. The present model completely gets around the singularity and grid convergence in the polar regions of the conventional longitude-latitude grid. Being an issue demanding further investigation, the high-order interpolation across the overlapping region of the Yin-Yang grid in the current model does not rigorously guarantee the numerical conservativeness. Nevertheless, these numerical tests show that the global conservation error in the present model is negligibly small. The model has competitive accuracy and efficiency.

Encouraging them to come to us: changing the way that information is made available to farmers

Recommendations for changes to service provision and fisheries policy in support of poverty alleviation emerged recently in India from a process know as facilitated advocacy (see Case Study SI 2) that helped to negotiate and support a role for poor people and their service providers, to contribute to changes in services and policies. Two of the key recommendations to emerge from farmers and fishers, which were prioritized by Fisheries Departments, were to change the way that information is made available and to simplify procedures for accessing government schemes and bank loans. This case which identifies the origin of these recommendations to change the way that information is made available, shows how different models of the concept have emerged, and follows the development of the One-stop Aqua Shops (OAS) in the eastern Indian states of Jharkhand, Orissa and West Bengal, that represent a new and vital tier in communications in aquaculture. (12 p.)

Helping ourselves: the role of self-help groups in poverty alleviation through aquaculture

Self-help groups (SHGs) are ways for farmers and fishers, especially those who are poor, to come together and work together. They can be a useful entry point for outsiders, promote a supportive local environment, strengthen voices in decision-making and in negotiations with more powerful forces, increase the effectiveness of local actions, and provide easier access to micro-credit and other resources and services. This case study describes a rural aquaculture development context, in India, the development of SHGs and the concept of a ‘one-stop aqua shop’, set up and run by a federation of self-help groups in Kaipara village, West Bengal (a pilot state along with Jharkhand and Orissa). It outlines testing new ways to share information, as part of a series of revised procedures and institutional arrangements for service delivery recommended by farmers and fishers and prioritized by government, with support from the Department of International Development, London (DFID) Natural Resources Support Programme (NRSP) and the Network of Aquaculture Centres in Asia-Pacific (NACA) to the Support to Regional Aquatic Resources Management (STREAM) Initiative (10 p.)