Structure of the Pyridine-Chloranil Complex in Solution: A Surprise from Depolarized Hyper-Rayleigh Scattering Measurements

In this article, we report the structure of a 1:1 charge transfer complex between pyridine (PYR) and chloranil (CHL) in solution (CHCl(3)) from the measurement of hyperpolarizability (beta(HRS)) and linear and circular depolarization ratios, D and D', respectively, by the hyper-Rayleigh scattering technique and state-of-the-art quantum chemical calculations. Using linearly (electric field vector along X) and circularly polarized incident light, respectively, we have measured two macroscopic depolarization ratios D = I(X,X)(2 omega)/I(X,Z)(2 omega) and D' = I(X,C)(2 omega)/I(Z,C)(2 omega) in the laboratory fixed XYZ frame by detecting the second harmonic (SH) scattered light in a polarization resolved fashion. The stabilization energy and the optical gap calculated through the MP2/cc-pVDZ method using Gaussian09 were not significantly different to distinguish between the cofacial and T-shape structures. Only when the experimentally obtained beta(HRS) and the depolarization ratios, D and D', were matched with the theoretically computed values from single and double configuration interaction (SDCI) calculations performed using the ZINDO-SCRF technique, we concluded that the room temperature equilibrium structure of the complex is cofacial. This is in sharp contrast to an earlier theoretical prediction of the T-shape structure of the complex.

Repulsive fermions in optical lattices: Phase separation versus coexistence of antiferromagnetism and d-wave superfluidity

We investigate a system of fermions on a two-dimensional optical square lattice in the strongly repulsive coupling regime. In this case, the interactions can be controlled by laser intensity as well as by Feshbach resonance. We compare the energetics of states with resonating valence bond d-wave superfluidity, antiferromagnetic long-range order, and a homogeneous state with coexistence of superfluidity and antiferromagnetism. Using a variational formalism, we show that the energy density of a hole e(hole)(x) has a minimum at doping x = x(c) that signals phase separation between the antiferromagnetic and d-wave paired superfluid phases. The energy of the phase-separated ground state is, however, found to be very close to that of a homogeneous state with coexisting antiferromagnetic and superfluid orders. We explore the dependence of the energy on the interaction strength and on the three-site hopping terms and compare with the nearest-neighbor hopping t-J model.

Linearization and Reconstruction of Non-linear Diffuse Optical Tomographic Image

Diffuse optical tomography (DOT) is one of the ways to probe highly scattering media such as tissue using low-energy near infra-red light (NIR) to reconstruct a map of the optical property distribution. The interaction of the photons in biological tissue is a non-linear process and the phton transport through the tissue is modelled using diffusion theory. The inversion problem is often solved through iterative methods based on nonlinear optimization for the minimization of a data-model misfit function. The solution of the non-linear problem can be improved by modeling and optimizing the cost functional. The cost functional is f(x) = x(T)Ax - b(T)x + c and after minimization, the cost functional reduces to Ax = b. The spatial distribution of optical parameter can be obtained by solving the above equation iteratively for x. As the problem is non-linear, ill-posed and ill-conditioned, there will be an error or correction term for x at each iteration. A linearization strategy is proposed for the solution of the nonlinear ill-posed inverse problem by linear combination of system matrix and error in solution. By propagating the error (e) information (obtained from previous iteration) to the minimization function f(x), we can rewrite the minimization function as f(x; e) = (x + e)(T) A(x + e) - b(T)(x + e) + c. The revised cost functional is f(x; e) = f(x) + e(T)Ae. The self guided spatial weighted prior (e(T)Ae) error (e, error in estimating x) information along the principal nodes facilitates a well resolved dominant solution over the region of interest. The local minimization reduces the spreading of inclusion and removes the side lobes, thereby improving the contrast, localization and resolution of reconstructed image which has not been possible with conventional linear and regularization algorithm.

On t-designs and bounds relating query complexity to error resilience in locally correctable codes

An n-length block code C is said to be r-query locally correctable, if for any codeword x ∈ C, one can probabilistically recover any one of the n coordinates of the codeword x by querying at most r coordinates of a possibly corrupted version of x. It is known that linear codes whose duals contain 2-designs are locally correctable. In this article, we consider linear codes whose duals contain t-designs for larger t. It is shown here that for such codes, for a given number of queries r, under linear decoding, one can, in general, handle a larger number of corrupted bits. We exhibit to our knowledge, for the first time, a finite length code, whose dual contains 4-designs, which can tolerate a fraction of up to 0.567/r corrupted symbols as against a maximum of 0.5/r in prior constructions. We also present an upper bound that shows that 0.567 is the best possible for this code length and query complexity over this symbol alphabet thereby establishing optimality of this code in this respect. A second result in the article is a finite-length bound which relates the number of queries r and the fraction of errors that can be tolerated, for a locally correctable code that employs a randomized algorithm in which each instance of the algorithm involves t-error correction.

An extension of the Quasicontinuum Treatment of Multiscale Solid Systems to Nonzero Temperature

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with ``exact'' fully atomistic results.

Increasing Critical Sensitivity of the Load/Unload Response Ratio before Large Earthquakes with Identified Stress Acclumulation Pattern

The Load/Unload Response Ratio (LURR) method is proposed for short-to-intermediate-term earthquake prediction [Yin, X.C., Chen, X.Z., Song, Z.P., Yin, C., 1995. A New Approach to Earthquake Prediction — The Load/Unload Response Ratio (LURR) Theory, Pure Appl. Geophys., 145, 701–715]. This method is based on measuring the ratio between Benioff strains released during the time periods of loading and unloading, corresponding to the Coulomb Failure Stress change induced by Earth tides on optimally oriented faults. According to the method, the LURR time series usually climb to an anomalously high peak prior to occurrence of a large earthquake. Previous studies have indicated that the size of critical seismogenic region selected for LURR measurements has great influence on the evaluation of LURR. In this study, we replace the circular region usually adopted in LURR practice with an area within which the tectonic stress change would mostly affect the Coulomb stress on a potential seismogenic fault of a future event. The Coulomb stress change before a hypothetical earthquake is calculated based on a simple back-slip dislocation model of the event. This new algorithm, by combining the LURR method with our choice of identified area with increased Coulomb stress, is devised to improve the sensitivity of LURR to measure criticality of stress accumulation before a large earthquake. Retrospective tests of this algorithm on four large earthquakes occurred in California over the last two decades show remarkable enhancement of the LURR precursory anomalies. For some strong events of lesser magnitudes occurred in the same neighborhoods and during the same time periods, significant anomalies are found if circular areas are used, and are not found if increased Coulomb stress areas are used for LURR data selection. The unique feature of this algorithm may provide stronger constraints on forecasts of the size and location of future large events.

Estudio de la eficiencia de utilización del fertilizante nitrogenado en los pastos bajo las condiciones de la III región (Managua)

Se realizó un estudio a partir de la recopilación de diferentes trabajos experimentales y en condiciones de producción realizados bajo las características de la Calera, Chiltepe y ANILIB, en el tema de fertilización nitrogenada en los pastos: estrella (Cynodon nlemfluensis), bermuda coastal (Cynodon dactylon vs coastal) y sorgo forrajero (Sorghum vulgare). Donde se compararon dosis de O, 40, 80, 90, 100, 200, 400, 600, 800 Kg N/ha/año respectivamente. Para analizar la eficiencia técnica del fertilizante se estimaron regresiones entre el rendimiento y el nivel de nitrógeno, y al calcular la respuesta igualmente se estimó la regresión entre la eficiencia de conversión (Kg MS/Kg N aplicado) y el nivel de nitrógeno, encontrándose buenos ajustes con las funciones cuadráticas (r= 0.9, 0.5) para rendimiento y respuesta respectivamente. Obteniéndose la máxima de conversión con dosis de 200 - 300 Kg N/ha/año. Además la amplia serie de niveles de N permitió conocer el potencial de respuesta de diferentes pastos durante la estación lluviosa y seca, siendo en esta última donde se produjo los más bajos valores de rendimiento. Se encontraron el mayor efecto del nivel de fertilización que de la edad. Así como la diferencia entre las especies estudiadas, resultando superior el pasto estrella en un 69% que el sorgo. Por otra parte la fuente nitrógeno aplicado fue superior al utilizar sulfato de amonio con dosis elevada y el nitrato de amonio con aplicaciones bajas de nitrógeno.

Diagnóstico fitosanitario de la producción de frijol común (Phaseolus vulgaris L.) en la zona de Nueva Guinea, época de apante 1994-1995

El presente trabajo es el resultado de un diagnóstico realizado en el municipio de Nueva Guinea, Zelaya Central, en la época de apante (1994-1995). El estudio fue dirigido a los factores biológicos que afectan la producción de frijol común (Phaseolus vulgaris L.) principalmente plagas, enfermedades y malezas. El estudio abarc�� nueve colonias y 14 productores del municipio de Nueva Guinea. Los resultados muestran que el principal problema de plagas es la babosa Vaginulus plebeius Fisher. Las medias de control contra las plagas están enfocadas al manejo de la especie en mención. Referente a las malezas se observó predominancia de malezas de hoja fina tales como retumbo Rottboellia cochinchinenesís (Lour) Clayton, zacate guinea Panicum maximun Jacq., retana Ischaemun ciliari Salisb y el zacate gallina Cynodon dactylon (L.) Pers. Las malezas de hoja ancha se presentaron en menor proporción, sobresaliendo la especie batatilla o campanila lpomoea tilliaceae (Wild) Choisy. La diversidad de las malezas es mayor en labranza convencional. la menor cantidad de especies de malezas se encontró en la labranza mínima. Las enfermedades de mayor relevancia son la antracnosis Colletotríchum lindemutianum ( Sacc & Magnus ) BCMV (virus del mosaíco común del frijol) y bacteriosis común del frijol Xanthomonas campestris pv phaseoli ( Smith ) Dye. La escasa precipitación durante el período del estudio probablemente influyó en que las enfermedades fungosas no se manifestaran en los lotes muestreados. El análisis económico muestra que la producción de frijol común en Nueva Guinea no fue rentable en el ciclo estudiado.

Dinámica de arvenses y entomofauna asociada bajo diferentes niveles de compost en nopal (Opuntia ficus indica L.), Diriamba, Carazo, 2008

El nopal (Opuntia ficus-indica L.), es una Cactácea originaria de México, cuyos usos van desde el alimenticio hasta la manufactura de diversos productos farmac��uticos, cosméticos y forrajeros, representa una posible alternativa alimenticia ante la escasez de alimentos en época de verano, ya que tiene capacidad de adaptación a zonas áridas y semiáridas. En este trabajo se analizó la influencia de diferentes niveles de compost (0, 0.5, 1, 1.5, 2 y 2.5 kg/planta) sobre la dinámica poblacional de arvenses y entomofauna asociada, en el cultivo de nopal. El ensayo se estableció en julio de 2008, en la finca Guadarrama, comunidad Buena Vista Sur, ubicada en el kilometro 56 ½ carretera Casares- La Boquita, Diriamba, Carazo. Las variables evaluadas respecto a las arvenses fueron; abundancia, dominancia y diversidad de especies. Respecto a la entomofauna, se elaboró un listado de artrópodos con su respectiva función biológica. Se realizó un control manual de malezas a los 75 días después de la siembra. Cynodon dactylon L. se presentó como arvense monocotiledónea de mayor abundancia con 37 plantas en el testigo, respecto a las dicotiledóneas que fue Waltheria indica L. con 8 plantas en 1 y 1.5 kg/planta. Diversidad; se encontraron 22 especies(8 más que las encontradas en este lugar en el ensayo precedente, 2007), de las cuales 4 fueron monocotiledóneas y 18 dicotiledóneas. La mayor cobertura se registró en 0.5 kg/planta con 17% y la menor en 2 kg/planta con 4 %. La mayor biomasa para monocotiledóneas fue encontrada en 1.5 kg/planta con 754 kg/ha, y la menor en 2.5 kg/planta con 346 kg/ha, para dicotiledóneas la mayor fue de 273 kg/ha en 2 kg/planta y la menor en el testigo con 123 kg/ha. Se reportaron 14 especies de artrópodos (fitófagos: como Acheta domesticus Bol., entomófagos: como Tegenaria domestica Clerk y defoliador: como Atta cephalotes L.

Niveles de compost sobre la dinámica de arvenses, artrópodos y rendimiento, en época seca, en el cultivo de nopal (Opuntia ficus indica L. Miller) Diriamba, Carazo, 2009

El nopal, es una cactácea originaria de México, de ella se pueden obtener muchos beneficios desde alimento humano, animal y medicinal como también para la elaboración de productos con valor agregado como mermeladas, encurtidos, néctares y jugos. Este cultivo es una alternativa para mejorar los problemas que está enfrentado Nicaragua ante el cambio climático y en especial para las zonas marginales, ya que tiene una excelente adaptación a zonas áridas y semiáridas donde otros cultivos no sobrevivirían. En este trabajo se analizó la influencia de diferentes niveles de compost (0, 0.5, 1, 1.5, 2, 2.5 kg/planta) sobre la dinámica poblacional de arvenses y artrópodos asociados. El ensayo se estableció de febrero a mayo de 2009, en la finca, Guadarrama, comunidad Buena Vista Sur, ubicada en el kilometro 56½ carretera Casares, La Boquita, Diriamba, Carazo. Las variables evaluadas fueron: abundancia, div ersidad, dominancia, cobertura (%), biomasa (kg/ha), y respecto a los artrópodos, se hizo un registro con su respectiva función biológica. Los resultados obtenidos muestran que Cynodon dactylon L. arvense monocotiledónea presentó mayor abundancia con 16 individuos en el tratamiento T1 (0 kg de compost/planta), mientras que en las dicotiledóneas fué Waltheria indica L. con 4 individuos en el tratamiento T4 (1.5 kg de compost/planta), en la diversidad, el mayor número de especies se presentó a los 120 días después de la siembra, obteniéndose 4 especies en los tratamientos T2 y T6 (0.5 y 2.5 kg de compost/planta), como resultado los porcentajes mas altos de cobertura se registraron a los 90 y 120 días despues de la siembra, siendo el 5% el de mayor valor en el T1 (0 kg de compost/planta). En biomasa se encontró diferencia significativa para las arvenses monocotiledóneas, en primer lugar se encuentra el tratamiento T1 (0 kg de compost/planta) registrando el mayor volumen con 57.5 kg/ha, mientras que en las di cotiledóneas no se encontró diferencia significativa solo existió diferencia númerica presentandose con mayor valor el tratamiento T5 (2 kg de compost/ planta) con un volumen de 5 kg/ ha, por lo tanto las más dominantes fueron las monocotiledóneas. Se registraron 6 especies de artrópodos, 1 perteneciente al orden Díptera, 1 Heminóptera, 2 Lepidóptera y 2 pertenecientes al orden Orthóptera.

Increased expression of cystine/glutamate antiporter in multiple sclerosis

Background: Glutamate excitotoxicity contributes to oligodendrocyte and tissue damage in multiple sclerosis (MS). Intriguingly, glutamate level in plasma and cerebrospinal fluid of MS patients is elevated, a feature which may be related to the pathophysiology of this disease. In addition to glutamate transporters, levels of extracellular glutamate are controlled by cystine/glutamate antiporter x(c)(-), an exchanger that provides intracellular cystine for production of glutathione, the major cellular antioxidant. The objective of this study was to analyze the role of the system x(c)(-) in glutamate homeostasis alterations in MS pathology. -- Methods: Primary cultures of human monocytes and the cell line U-937 were used to investigate the mechanism of glutamate release. Expression of cystine glutamate exchanger (xCT) was quantified by quantitative PCR, Western blot, flow cytometry and immunohistochemistry in monocytes in vitro, in animals with experimental autoimmune encephalomyelitis (EAE), the animal model of MS, and in samples of MS patients. -- Results and discussion: We show here that human activated monocytes release glutamate through cystine/glutamate antiporter x(c)(-) and that the expression of the catalytic subunit xCT is upregulated as a consequence of monocyte activation. In addition, xCT expression is also increased in EAE and in the disease proper. In the later, high expression of xCT occurs both in the central nervous system (CNS) and in peripheral blood cells. In particular, cells from monocyte-macrophage-microglia lineage have higher xCT expression in MS and in EAE, indicating that immune activation upregulates xCT levels, which may result in higher glutamate release and contribution to excitotoxic damage to oligodendrocytes. -- Conclusions: Together, these results reveal that increased expression of the cystine/glutamate antiporter system x(c)(-) in MS provides a link between inflammation and excitotoxicity in demyelinating diseases.

On the impact of independence of irrelevant alternatives: the case of two-person NTU games

On several classes of n-person NTU games that have at least one Shapley NTU value, Aumann characterized this solution by six axioms: Non-emptiness, efficiency, unanimity, scale covariance, conditional additivity, and independence of irrelevant alternatives (IIA). Each of the first five axioms is logically independent of the remaining axioms, and the logical independence of IIA is an open problem. We show that for n = 2 the first five axioms already characterize the Shapley NTU value, provided that the class of games is not further restricted. Moreover, we present an example of a solution that satisfies the first five axioms and violates IIA for two-person NTU games (N, V) with uniformly p-smooth V(N).

Chromosomal and histological evidences of infertility in F2 and F2 backcross. Hybrid generations of Clarias anguillaris and Heterobranchus longifilis

Male meiosis was studied in 9 different mating combinations in parental, first, second and backcross generation hybrids of Clarias anguillaris and Heterobranchus longifilis. 27 bivalents were recorded in metaphase I for seven mating combinations. The number of bivalents in F1 hybrid male x C. anguillaris female could not be determined due to a high degree of clumping of the chromosomes. All metaphase I cells observed in female F1 hybrid x male H. longifilis had three complex bivalents consisting of 43.3% giant ring and 56.7% giant rod chromosomes. The number of ring bivalents per cell was higher in parental H. longifilis than parental C. anguillaris. The number of ring bivalents per cell increased from F1 (6.7 and 8.2) to F2 backcross (13.5) hybrid generations indicating increasing chromosomal instability of backcross hybrids over Fl and F2 hybrids

A generalized Hausdorff dimension for functions and sets

Let E be a compact subset of the n-dimensional unit cube, 1_n, and let C be a collection of convex bodies, all of positive n-dimensional Lebesgue measure, such that C contains bodies with arbitrarily small measure. The dimension of E with respect to the covering class C is defined to be the number

d_C(E) = sup(β:Hβ, C</sub>(E) > 0),</sub>

where H_{β, C} is the outer measure</sub>

inf(Ʃm(C<sub>i)^β:UC<sub>i Ↄ E, C<sub>i ϵ C) .

Only the one and two-dimensional cases are studied. Moreover, the covering classes considered are those consisting of intervals and rectangles, parallel to the coordinate axes, and those closed under translations. A covering class is identified with a set of points in the left-open portion, 1’_n, of 1_n, whose closure intersects 1_n - 1’_n. For n = 2, the outer measure H_{β, C} is adopted in place of the usual:</sub>

Inf(Ʃ(diam. (C<sub>i))^β: UC<sub>i Ↄ E, C<sub>i ϵ C),

for the purpose of studying the influence of the shape of the covering sets on the dimension d_C(E).</sub>

If E is a closed set in 1₁, let M(E) be the class of all non-decreasing functions μ(x), supported on E with μ(x) = 0, x ≤ 0 and μ(x) = 1, x ≥ 1. Define for each μ ϵ M(E),

d_C(μ) = lim/c → inf/0 log ∆μ(c)/log c , (c ϵ C)</sub>

where ∆μ(c) = v/x (μ(x+c) – μ(x)). It is shown that

d_C(E) = sup (dC</sub>(μ):μ ϵ M(E)).</sub>

This notion of dimension is extended to a certain class Ӻ of sub-additive functions, and the problem of studying the behavior of d_C(E) as a function of the covering class C is reduced to the study of dC</sub>(f) where f ϵ Ӻ. Specifically, the set of points in 11,</sub>

(*) {d_B(F), d_C(f)): f ϵ Ӻ}</sub>

is characterized by a comparison of the relative positions of the points of B and C. A region of the form (*) is always closed and doubly-starred with respect to the points (0, 0) and (1, 1). Conversely, given any closed region in 1₂, doubly-starred with respect to (0, 0) and (1, 1), there are covering classes B and C such that (*) is exactly that region. All of the results are shown to apply to the dimension of closed sets E. Similar results can be obtained when a finite number of covering classes are considered.

In two dimensions, the notion of dimension is extended to the class M, of functions f(x, y), non-decreasing in x and y, supported on 1₂ with f(x, y) = 0 for x · y = 0 and f(1, 1) = 1, by the formula

d_C(f) = lim/s · t → inf/0 log ∆f(s, t)/log s · t , (s, t) ϵ C</p></sub>

where

∆f(s, t) = V/x, y (f(x+s, y+t) – f(x+s, y) – f(x, y+t) + f(x, t)).

A characterization of the equivalence d_C1(f) = dC</sub>2(f) for all f ϵ M, is given by comparison of the gaps in the sets of products s · t and quotients s/t, (s, t) ϵ C_{i (I = 1, 2).}

退火对Si（111）衬底上ZnO薄膜的结构和发光特性的影响

采用磁控溅射法在硅（111）衬底上制备了C���高度取向的ZnO薄膜，并研究了退火温度和氧气气氛对ZnO薄膜晶体质量、晶粒度大小和光致发光谱的影响。X射线衍射表明，所有薄膜均为高度C���择优取向，当退火温度低于900℃时，随着退火温度的升高，薄膜的取向性和结晶度都明显提高。室温下对ZnO薄膜进行了光谱分析，退火后的样品均可观测到明显的紫光发射。在一定的退火温度范围内，还可以观测到明显的紫外双峰。空气中退火的样品，当退火温度达到或高于600℃还可观测到绿光发射。实验结果表明，发光峰强度随退火温度和氧气气氛不同而不