Total synthesis of enokipodins A-D and cuparene-1,4-diol

A Claisen rearrangement and RCM reaction based sequence has been developed for total synthesis of the antifungal sesquiterpenes enokipodins A-D and cuparene-1,4-diol starting from 2,5-dimethoxy-4-methylhydroquinone.

Shifting the perspective after the patient's response to an interpretation

Psychoanalytic interpretation is normally understood as a sequence of two utterances: the analyst gives an interpretation and the patient responds to it. This paper suggests that, in the interpretative sequence, there is also a third utterance where psychoanalytic work takes place. This third interpretative turn involves the analyst’s action after the patient’s response to the interpretation. Using conversation analysis as method in the examination of audio-recorded psychoanalytic sessions, the paper will explicate the psychoanalytic work that gets done in third interpretative turns. Through it, the analyst takes a stance towards the patient’s understandings of the interpretation, which are shown in the patient’s response to the interpretation. The third interpretative turns on one hand ratify and accept the patient’s understandings, but, in addition to that, they also introduce a shift of perspective relative to them. In most cases, the shift of perspective is implicit but sometimes it is made explicit. The shifts of perspective bring to the foreground aspects or implications of the interpretation that were not incorporated in the patient’s response. They recast the description of the patient’s experience by showing new layers or more emotional intensity in it. The results are discussed in the light of Faimberg’s concept of listening to listening and Schlesinger’s concept of follow-up interpretation.

Reactivity and catalytic activity of layered YBA2CU3O7-delta (123) type defect perovskites

The chemical modifications of structure, reactivity and catalytic properties of layered triple perovskite oxides, related to the YBa2Cu3O7-delta (123) system, have been briefly reviewed. These oxides form a versatile family of materials with wide-ranging chemical and physical properties. The multiple sites available for chemical doping, and the ability to reversibly intercalate oxygen at the defect sites have rendered these oxides important model systems in the area of oxide catalysis. An attempt has been made to comprehend the hitherto known catalytic reactions and correlate them to various factors like structure, oxygen diffusional limitations, different geometries adopted by various substituents, oxidative non-stoichiometry and activation energy for oxygen desorption. In particular, results on the enhanced catalytic activity of cobalt-substituted 123 oxide systems towards the selective catalytic oxidation of ammonia to nitric oxide and carbon monoxide to carbon dioxide are presented.

Functional characterization, homology modeling and docking studies of beta-glucosidase responsible for bioactivation of cyanogenic hydroxynitrile glucosides from Leucaena leucocephala (subabul)

Glycosyl hydrolase family 1 beta-glucosidases are important enzymes that serve many diverse functions in plants including defense, whereby hydrolyzing the defensive compounds such as hydroxynitrile glucosides. A hydroxynitrile glucoside cleaving beta-glucosidase gene (Llbglu1) was isolated from Leucaena leucocephala, cloned into pET-28a (+) and expressed in E. coli BL21 (DE3) cells. The recombinant enzyme was purified by Ni-NTA affinity chromatography. The optimal temperature and pH for this beta-glucosidase were found to be 45 A degrees C and 4.8, respectively. The purified Llbglu1 enzyme hydrolyzed the synthetic glycosides, pNPGlucoside (pNPGlc) and pNPGalactoside (pNPGal). Also, the enzyme hydrolyzed amygdalin, a hydroxynitrile glycoside and a few of the tested flavonoid and isoflavonoid glucosides. The kinetic parameters K (m) and V (max) were found to be 38.59 mu M and 0.8237 mu M/mg/min for pNPGlc, whereas for pNPGal the values were observed as 1845 mu M and 0.1037 mu M/mg/min. In the present study, a three dimensional (3D) model of the Llbglu1 was built by MODELLER software to find out the substrate binding sites and the quality of the model was examined using the program PROCHEK. Docking studies indicated that conserved active site residues are Glu 199, Glu 413, His 153, Asn 198, Val 270, Asn 340, and Trp 462. Docking of rhodiocyanoside A with the modeled Llbglu1 resulted in a binding with free energy change (Delta G) of -5.52 kcal/mol on which basis rhodiocyanoside A could be considered as a potential substrate.

Urban water supply and management

Population growth and rapid urbanization lead to considerable stress on already depleting water resources. A great challenge for water authorities of urban cities is to supply adequate and reliable safe water to all consumers. In most of the developing countries water scarcity and high demands have led the water authorities to resort to intermittent supplies. Surface and groundwater are the major sources of supply in urban cities. The direct consequences of intermittent supplies and poor sanitation practices are several incidences of water borne diseases posing public health risk. In order to minimize the supply-demand gap and to assure good quality of water, new techniques or models can be helpful to manage the water distribution systems (WDS) in a better way. In the present paper, a review is carried out on the existing urban water supply management methodologies with a way forward for the proper management of the water supply systems.

Basis pursuit deconvolution for improving model-based reconstructed images in photoacoustic tomography

The model-based image reconstruction approaches in photoacoustic tomography have a distinct advantage compared to traditional analytical methods for cases where limited data is available. These methods typically deploy Tikhonov based regularization scheme to reconstruct the initial pressure from the boundary acoustic data. The model-resolution for these cases represents the blur induced by the regularization scheme. A method that utilizes this blurring model and performs the basis pursuit deconvolution to improve the quantitative accuracy of the reconstructed photoacoustic image is proposed and shown to be superior compared to other traditional methods via three numerical experiments. Moreover, this deconvolution including the building of an approximate blur matrix is achieved via the Lanczos bidagonalization (least-squares QR) making this approach attractive in real-time. (C) 2014 Optical Society of America

CANDO and the infinite drug discovery frontier

The Computational Analysis of Novel Drug Opportunities (CANDO) platform (http://protinfo.org/cando) uses similarity of compound-proteome interaction signatures to infer homology of compound/drug behavior. We constructed interaction signatures for 3733 human ingestible compounds covering 48,278 protein structures mapping to 2030 indications based on basic science methodologies to predict and analyze protein structure, function, and interactions developed by us and others. Our signature comparison and ranking approach yielded benchmarking accuracies of 12-25% for 1439 indications with at least two approved compounds. We prospectively validated 49/82 `high value' predictions from nine studies covering seven indications, with comparable or better activity to existing drugs, which serve as novel repurposed therapeutics. Our approach may be generalized to compounds beyond those approved by the FDA, and can also consider mutations in protein structures to enable personalization. Our platform provides a holistic multiscale modeling framework of complex atomic, molecular, and physiological systems with broader applications in medicine and engineering.

Rainbow Connection Number of Graph Power and Graph Products

Rainbow connection number, rc(G), of a connected graph G is the minimum number of colors needed to color its edges so that every pair of vertices is connected by at least one path in which no two edges are colored the same (note that the coloring need not be proper). In this paper we study the rainbow connection number with respect to three important graph product operations (namely the Cartesian product, the lexicographic product and the strong product) and the operation of taking the power of a graph. In this direction, we show that if G is a graph obtained by applying any of the operations mentioned above on non-trivial graphs, then rc(G) a parts per thousand currency sign 2r(G) + c, where r(G) denotes the radius of G and . In general the rainbow connection number of a bridgeless graph can be as high as the square of its radius 1]. This is an attempt to identify some graph classes which have rainbow connection number very close to the obvious lower bound of diameter (and thus the radius). The bounds reported are tight up to additive constants. The proofs are constructive and hence yield polynomial time -factor approximation algorithms.

Hierarchical sampling for metastable conformers determines biomolecular recognition: the case of malectin and diglucosylated N-glycan interactions

Structural information over the entire course of binding interactions based on the analyses of energy landscapes is described, which provides a framework to understand the events involved during biomolecular recognition. Conformational dynamics of malectin's exquisite selectivity for diglucosylated N-glycan (Dig-N-glycan), a highly flexible oligosaccharide comprising of numerous dihedral torsion angles, are described as an example. For this purpose, a novel approach based on hierarchical sampling for acquiring metastable molecular conformations constituting low-energy minima for understanding the structural features involved in a biologic recognition is proposed. For this purpose, four variants of principal component analysis were employed recursively in both Cartesian space and dihedral angles space that are characterized by free energy landscapes to select the most stable conformational substates. Subsequently, k-means clustering algorithm was implemented for geometric separation of the major native state to acquire a final ensemble of metastable conformers. A comparison of malectin complexes was then performed to characterize their conformational properties. Analyses of stereochemical metrics and other concerted binding events revealed surface complementarity, cooperative and bidentate hydrogen bonds, water-mediated hydrogen bonds, carbohydrate-aromatic interactions including CH-pi and stacking interactions involved in this recognition. Additionally, a striking structural transition from loop to beta-strands in malectin CRD upon specific binding to Dig-N-glycan is observed. The interplay of the above-mentioned binding events in malectin and Dig-N-glycan supports an extended conformational selection model as the underlying binding mechanism.

Evaluation of developmental toxicity and apoptotic induction of the aqueous extract of Millettia pachycarpa using zebrafish as model organism

Extensive and indiscriminate use of synthetic compounds and natural compounds obtained from plant sources have resulted in serious threats to the aquatic ecosystem and human health. Aqueous extract of the root of the plant, Milletia pachycarpa Benth, is currently used for killing fish in the state of Manipur, India. Moreover, this plant is also used as traditional medicine in this region. Although it is widely used in traditional medicine, there is limited information available regarding the adverse effects and mechanism underlying its toxicity. This study examined the effects of exposure to aqueous extract of M. pachycarpa (AEMP) on early embryonic development of zebrafish embryos and mechanisms underlying toxicity. Zebrafish embryos treated with different concentrations of the AEMP produced embryonic lethality and developmental defects. The 96-hr-LC50 of AEMP was found to be 4.276 mu g/mL. Further, multiple developmental abnormalities such as pericardial edema, yolk sac edema, spinal curvature, swim bladder deflation, decreased heart rate, and delayed hatching were also observed in a dose-dependent manner. Zebrafish embryo showing moderate-to-severe developmental defects following AEMP exposure cannot swim properly. Further, this study examined oxidative stress and apoptosis in embryos exposed to AEMP. Enhanced production of ROS and apoptosis was found in brain, trunk, and tail of zebrafish embryos treated with AEMP. Data suggest that oxidative stress and apoptosis are associated with AEMP-induced embryonic lethality and developmental toxicity in zebrafish embryos.

Evaluación productiva y reproductiva de un hato criollo lechero (Reyna) en el trópico seco de Nicaragua

El presente trabajo se realizó con el objetivo de estudiar el efecto de distintos factores ambientales (año de parto, época de parto y número de parto) sobre el comportamiento, productivo y reproductivo de un hato criollo lechero Reyna bajo condiciones del trópico seco en la finca "El Pino" Rivas, Nicaragua. Además se cuantificó la repetitividad de las distintas características y se clasificó las vacas en base a la habilidad probable de producción. Se analizaron 31 registros productivos y reproductivos correspondientes al periodo de 1982 a 1989. Las características estudiadas fuero producción de leche total (PLTOT); producción de leche ajustada a 305 días (PL305), largo de lactancia (LARLA) intervalo entre partos (IEP) y edad al primer parto (EPP). En los análisis se utilizó el procedimiento de minimos cuadrados. Mediante análisis de varianza se evaluó el efecto del año de parto, época de parto, número de parto y la interacción año de parto por época de parto, sobre las características PLTOT, PL305, LARLA e IEP, para la EPP se estudió el año de nacimiento de la vaca (ANACV). Este análisis mostró un efecto altamente significativo (P<0.01) del año de parto sobre las características estudiadas, la época de parto resultó no significativa para todas las variables excepto para LARLA, el número de parto resultó altamente significativo (P<0.01) para las características PLTOT, PL305 e IEP y para LARLA resultó no significativo. LaS medias de mínimos cuadrados obtenidas en este estudio fueron de 1377.82±27.79 kg, 1363.20±25.38 Kg, 266.55±3.83 días, 387.74±4.60 días y 1149.15±18.75 días para PLTOT, PL305, LARLA, IEP y EPP respectivamente. Los valores de repetitividad para PLTOT, PL305, LARLA e IEP fueron de 0.18±0.06, 0.17±0.06, 0.09±0.06 y 0.08±0.08 respectivamente. Resultando ser inferiores a los reportados por otros investigadores para el criollo en América Latina.

The Effect of Conical Flowfields on the Performance of Waveriders at Mach 6

The performance of 23 kinds of waveriders, derived from different conical flowfields, is analyzed by the numerical computation under the conditions of fight speed of Mach 6, attack angle of 0° and flight altitude of 30 km. These results indicate that the performance is influenced by the shapes and the width to height ratios (W/H ) of generating cones. The geometrical parameter and the lift coefficient are proportional to W/H, while the drag coefficient and the lift to drag ratio (L/D ) have extreme values. Considering the base drag and the computation errors, the waverider with the highest L/D is cut from the elliptical cone’s flowfield (W/H = 1.5―1.618), and the configuration with the lowest drag can also be obtained at W/H = 1:1.5. Accordingly, good suggestions are proposed for practical design based on these computational results.

Jugo o vinagre de madera (savia de plantas)

La savia de las plantas denominada para efecto de este Proyecto de investigación Jugo ó vinagre de Madera , es el punto de partida y uno de los descubrimientos mas acertados en el campo de la investigación de nuevas tecnologías para el mejoramiento productivo de todos los cultivos. Esta investigación, ha conllevado un poco más de nueve años de observación y dos años de experimentación e investigación a nivel de los laboratorios. El documento está estructurado en cuatro aspectos: El Primero describe el procedimiento para la extracción de la savia de las plantas, como se denomina en la práctica Jugo ó vinagre de madera, en un segundo plano, se describe todo el proceso de investigación ó validación de la tecnología y el estudio mismo de sus componentes macros y micro elementos y los componentes estructurales de la sustancia. En un tercer plano está el análisis comparativo de los resultados y su relación directa con cada variable de la investigación. Por tratarse de una sustancia nueva y tan novedosa en términos prácticos, el estudio estuvo dirigido al descubrimiento de sus componentes orgánicos e inorgánicos, más que su funcionamiento lo que se ha venido observando por mucho más tiempo en forma práctica. Un cuarto aspecto abordado, se describe una exposición de resultados presentadas por el equipo investigador y particularmente a por los campesinos participantes con los que se llevó este proyecto. Los campesinos beneficiarios y experimentadores exponen a productores de otras comunidades los resultados productivos y comportamientos interesantes en términos de reacciones de las plantas a sobre dosis, desarrollo vegetativos por encimas de rangos normales de crecimientos y rendimientos propiamente dichos. Este cuarto aspecto es abordado mediante una memoria del día de campo celebrado a nivel institucional y a todas las comunidades beneficiadas por el Proyecto Auspiciado por FUNICA e INPRHU. En el día de campo se tuvo la oportunidad de observar plantas de café manejadas manejas de forma tradicional (químicamente) y plantas áreas y surcos manejados con jugo de madera en donde se puede observar la diferencia de crecimiento y reacciones bioquímicas de las en torno al desarrollo vegetativo, floración y 5 fructificación a escasos (8) ocho meses no plantas que poseen un tamaño inferior al metro y que los frutos se encuentran a una altura no mayor a los diez centímetros. Finalmente de expresan las conclusiones y recomendaciones en torno a esta investigación y posibles investigaciones en torno a tema de fertilización orgánica tomando como base el Jugo o Vinagre de madera.

Políticas públicas para fontes alternativas e renováveis para geração de energia elétrica

Consultoria Legislativa - Área XII - Recursos Minerais, Hídricos e Energéticos.