Kymen vesipiirin alueen pienvesistöjen laadun nykytilan selvitys

The water quality of some small riverbasins in the Kymi district.

Halogen Bonding in 2,5-Dichloro-1,4-benzoquinone: Insights from Experimental and Theoretical Charge Density Analysis

Experimental charge density distribution in 2, 5-dichloro-1, 4-benzoquinone has been carried out using high resolution X-ray diffraction data at 90 K to quantitatively evaluate the nature of C-Cl center dot center dot center dot O=C halogen bond in molecular crystals. Additionally, the halogen bond is studied from geometrical point of view and the same has been visualized using Hirshfeld surface analysis. The obtained results from experimental charge density analysis are compared with periodic quantum calculations using B3LYP 6-31G(d,p) level of theory. The topological values at bond critical point, three-dimensional static deformation density features and electrostatic potential isosurfaces unequivocally establish the attractive nature of C-Cl center dot center dot center dot O=C halogen bond in crystalline lattice.

Optimal Forwarding in Delay-Tolerant Networks With Multiple Destinations

We study the tradeoff between delivery delay and energy consumption in a delay-tolerant network in which a message (or a file) has to be delivered to each of several destinations by epidemic relaying. In addition to the destinations, there are several other nodes in the network that can assist in relaying the message. We first assume that, at every instant, all the nodes know the number of relays carrying the message and the number of destinations that have received the message. We formulate the problem as a controlled continuous-time Markov chain and derive the optimal closed-loop control (i.e., forwarding policy). However, in practice, the intermittent connectivity in the network implies that the nodes may not have the required perfect knowledge of the system state. To address this issue, we obtain an ordinary differential equation (ODE) (i.e., a deterministic fluid) approximation for the optimally controlled Markov chain. This fluid approximation also yields an asymptotically optimal open-loop policy. Finally, we evaluate the performance of the deterministic policy over finite networks. Numerical results show that this policy performs close to the optimal closed-loop policy.

Pt-Poisoning-Free Efficient CO Oxidation on Pt3Co Supported on MgO(100): An Ab Initio Study

Late-transition-metal-doped Pt clusters are prevalent in CO oxidation catalysis, as they exhibit better catalytic activity than pure Pt, while reducing the effective cost and poisoning However, completely eliminating the critical problem of Pt poisoning still poses a big challenge. Here, we report for the first time that, among the bimetallic clusters ((Pt3M where M = Co, Ni, and Cu)/MgO(100)), the CO adsorption site inverts for Pt3Co/MgO(100) from Pt to Co, due to the complete uptake of Pt d-states by lattice oxygen. While this resolves the problem of Pt poisoning, good reaction kinetics are predicted through low barriers for Langmuir-Hinshelwood and Mars van Krevelen (MvK) mechanisms of CO oxidation for Pt3Co/MgO(100) and Li-doped MgO(100), respectively. Li doping in MgO(100) compensates for the charge imbalance caused by a spontaneous oxygen vacancy formation. Pt-3 Co/Li-doped MgO(100) stands out as an exceptional CO oxidation catalyst, giving an MvK reaction barrier as low as 0.11 eV. We thereby propose a novel design strategy of d-band center inversion for CO oxidation catalysts with no Pt poisoning and excellent reaction kinetics.

Broadcast Control Mechanism for Positional Consensus in Multiagent Systems

In this paper, a strategy for controlling a group of agents to achieve positional consensus is presented. The problem is constrained by the requirement that every agent must be given the same control input through a broadcast communication mechanism. Although the control command is computed using state information in a global framework, the control input is implemented by the agents in a local coordinate frame. We propose a novel linear programming (LP) formulation that is computationally less intensive than earlier proposed methods. Moreover, a random perturbation input in the control command that helps the agents to come close to each other even for a large number of agents, which was not possible with an existing strategy in the literature, is introduced. The method is extended to achieve positional consensus at a prespecified location. The effectiveness of the approach is illustrated through simulation results. A comparison between the LP approach and the existing second-order cone programming-based approach is also presented. The algorithm was successfully implemented on a robotic platform with three robots.

A novel index for identification of weak nodes for reactive compensation to improve voltage stability

In this study, a new reactive power loss index (RPLI) is proposed for identification of weak buses in the system. This index is further used for determining the optimal locations for placement of reactive compensation devices in the power system for additional voltage support. The new index is computed from the reactive power support and loss allocation algorithm using Y-bus method for the system under intact condition and as well as critical/severe network contingencies cases. Fuzzy logic approach is used to select the important and critical/severe line contingencies from the contingency list. The inherent characteristics of the reactive power in system operation is properly addressed while determining the reactive power loss allocation to load buses. The proposed index is tested on sample 10-bus equivalent system and 72-bus practical equivalent system of Indian southern region power grid. The validation of the weak buses identification from the proposed index with that from other existing methods in the literature is carried out to demonstrate the effectiveness of the proposed index. Simulation results show that the identification of weak buses in the system from the new RPLI is completely non-iterative, thus requires minimal computational efforts as compared with other existing methods in the literature.

Photometric metallicity map of the Large Magellanic Cloud

We have estimated a metallicity map of the Large Magellanic Cloud (LMC) using the Magellanic Cloud Photometric Survey (MCPS) and Optical Gravitational Lensing Experiment (OGLE III) photometric data. This is a first of its kind map of metallicity up to a radius of 4 degrees-5 degrees, derived using photometric data and calibrated using spectroscopic data of Red Giant Branch (RGB) stars. We identify the RGB in the V, (V - I) colour-magnitude diagrams of small subregions of varying sizes in both data sets. We use the slope of the RGB as an indicator of the average metallicity of a subregion, and calibrate the RGB slope to metallicity using spectroscopic data for field and cluster red giants in selected subregions. The average metallicity of the LMC is found to be Fe/H] = -0.37 dex (sigmaFe/H] = 0.12) from MCPS data, and Fe/H] = -0.39 dex (sigmaFe/H] = 0.10) from OGLE III data. The bar is found to be the most metal-rich region of the LMC. Both the data sets suggest a shallow radial metallicity gradient up to a radius of 4 kpc (-0.049 +/- 0.002 dex kpc(-1) to -0.066 +/- 0.006 dex kpc(-1)). Subregions in which the mean metallicity differs from the surrounding areas do not appear to correlate with previously known features; spectroscopic studies are required in order to assess their physical significance.

Characterization of silver-kaolinite (AgK): an adsorbent for long-lived I-129 species

Bentonite is a preferred buffer and backfill material for deep geological disposal of high-level nuclear waste (HLW). Bentonite does not retain anions by virtue of its negatively charged basal surface. Imparting anion retention ability to bentonite is important to enable the expansive clay to retain long-lived I-129 (iodine-129; half-life = 16 million years) species that may escape from the HLW geological repository. Silver-kaolinite (AgK) material is prepared as an additive to improve the iodide retention capacity of bentonite. The AgK is prepared by heating kaolinite-silver nitrate mix at 400 degrees C to study the kaolinite influence on the transition metal ion when reacting at its dehydroxylation temperature. Thermo gravimetric-Evolved Gas Detection analysis, X-ray diffraction analysis, X-ray photo electron spectroscopy and electron probe micro analysis indicated that silver occurs as AgO/Ag2O surface coating on thermally reacting kaolinite with silver nitrate at 400 degrees C.

Remarkable photo-induced anticancer activity of vitamin-S6 Schiff base copper(II) complexes of pyridyl bases

Vitamin-B6 (VB6) Schiff base (H2L) copper(II) complexes of pyridyl bases, viz. Cu(bpy)(L)] (1), Cu(phen)(L)] (2) and Cu(dppz)(L)] (3), where bpy is 2,2'-bipyridine, phen is 1,10-phenanthroline and dppz is dipyrido3,2-a:2',3'c]phenazine are synthesized, characterized and their phto-induced anticancer activity studied. The non-electrolytic one electron paramagnetic complexes exhibit a d-d band near 700 nm in DMF. The dppz complex intercalatively binds to calf-thymus DNA with binding constant (K-b) values of similar to 10(6) M-1. This complex exhibits low chemical nuclease activity but excellent DNA photocleavage activity when irradiated with red light of 705 nm forming (OH)-O-center dot radical. It displays remarkable photocytotoxicity in human cervical cancer cells (HeLa) giving IC50 value of 0.9 mu M in visible light (400-700 nm) while being less toxic in darkness (IC50 : 23 mu M). The cellular uptake of the complexes seems to be via VB6 transporting membrane carrier mediated diffusion pathway. Photo-induced cell death follows apoptotic pathway involving photo-generated intracellular reactive oxygen species.

Numerical Simulation of 3D-Thermal Field with Phase Transformation

以激光熔凝表面强韧化处理为背景,应用空间的弹塑性有限单元和高精度的数值算法、同时考虑材料组织性能的变化来模拟材料的温度场。主要研究激光熔凝加工中瞬时温度场数值模拟,同时考虑相变潜热的影响,为第二步热应力场及残余应力的数值模拟做准备。最后用算例验证了模型的正确性,并给出了不同时刻温度场的分布。

岩体中的节理裂隙对爆破影响的试验研究

利用超声波探测法对节理裂隙岩体进行了声波测试,对不同的节理裂隙岩体进行了质量评估,通过对节理裂隙岩体进行爆破漏斗试验,分析了节理裂隙对岩体中爆炸应力波传播、岩石破碎及爆破漏斗形成的影响.结果表明,节理裂隙等结构弱面的存在严重阻碍了爆炸能量均匀分布,因此在爆破设计和施工中,应尽量使炮孔与结构弱面垂直布置,如果遇到含有夹层情况宜加大装药量;炮孔与结构弱面平行时,应尽量减小炮眼孔距和最小抵抗线,尽量采用单孔螺旋掏槽.

El problema del innatismo en Antonio Rosmini : (parte II)

Resumen: Esta parte del artículo repasa las principales teorías modernas sobre el innatismo, analizando sus puntos fuertes y débiles a partir de la teoría rosminiana de la presencia innata de la idea de ser. Se subraya la simplicidad de esta teoría, lo que le confiere un elevado carácter explicativo, en contraste con los dificultades que suscitan las filosofías de Descartes, Locke, Leibniz, Malebranche y Kant.

Estudio agromorfológico de quince poblaciones de frijol común (Phaseolus vulgaris L.) conservadas in situ y ex situ

Los objetivos del trabajo fueron describir la variabilidad fenotípica presente tanto entre como dentro de las poblaciones evaluadas, y a su vez determinar los efectos de color de semilla y tipo de conservación (ex situ e in situ ) sobre dicha diversidad, El estudio consistió en un experimento trifactorial, des balanceado y parcialmente anidado en un diseño de bloques completo al azar con tres repeticiones, cuyos factores de estudio fueron: Color de semilla, tipo de conservación y poblaciones anidadas dentro de cada uno de los factores. Se sometieron a análisis variables cualitativas de la flor, fenológicas y de producción (Rendimiento y sus componentes). Los resultados indicaron que el color de la semilla y el tipo de conservación resultaron ser los criterios principales de diferenciación de las poblaciones bajo estudiado destacándose el grupo de semilla de color café, la interacción de los efectos color de semilla y tipo de conservación resultaron significativas para el rendimiento, cierto de sus componentes e índice de cosecha, mostrando los materiales genéticos de color de grano crema y conservadas actualmente por los agricultores los mayores valores para la variable antes mencionadas. Las poblaciones conservadas in situ comparadas a las conservadas ex situ, presentaron valores diferentes para las variables bajo estudio

Estabilidad y rendimiento de seis materiales genéticos de frijol común (Phaseolus vulgaris L.) en distintas zonas de Nicaragua

El presente trabajo se realizo con el objetivo de evaluar la estabilidad y capacidad derendimiento de seis poblaciones de frijol común (Phaseolus vulgaris L.) (dos variedades mejoradas) DOR-364 e INTA-Masatepe, (cuatro variedades locales) V16, V29, V6 y V9 en seis localidades del país (Dulce Nombre de Jesús, Darío; Matagalpa; Tomatoya, Jinotega; Las Cámaras, Santa Cruz, Estelí; La Poma, Masaya; La Pita, Santo Tomas, Chontales y La Compañía, San Marcos, Carazo) El experimento consistió en un bifactorial en un diseño de Bloques Completamente al Azar (BCA). El rendimiento de los materiales genéticos se sometió al análisis de estabilidad mediante estadísticas univariadas de estabilidad y el análisis AMMI (Additive Main Effects and Multiplicative Interactions) que permitió una mejor interpretación de la interacción material genético-localidad. Los resultados significativos de dicha interacción demostraron que los materiales genéticos se comportaron de manera diferente en las distintas localidades. La variedad INTA-Masatepe según el análisis combinado de estabilidad y rendimiento, resultó superior al resto. El análisis AMMI permitió detectar interacciones positivas y negativas entre los diferentes materiales genéticos y localidades resaltando el comportamiento de DOR-364 y V9 en San Marcos (ambiente de alta productividad) y las variedades locales V29 y V16 en las localidades de Dulce Nombre, Masaya y Estelí (ambiente de baja productividad). La variedad local V6 resultó tan estable como INTA-Masatepe pero deficiente en cuanto a rendimiento. El estudio no permitió detectar una interacción específica de INTA-Masatepe con una localidad en particular.

La teoría de la justicia de Amartya Sen y los orígenes del concepto católico de justicia social en Antonio Rosmini

Resumen: El autor propone en este artículo reflexionar sobre algunos aspectos del libro The Idea of Justice de Amartya Sen a la luz d e la obra del filósofo italiano Antonio Rosmini, difusor de la expresión “justicia social” en los orígenes del pensamiento social católico. En primer lugar, el autor muestra las coincidencias de Sen y Rosmini sobre el lugar de la razón en el análisis de la idea de justicia social frente a los planteos puramente emocionales y pragmáticos. En segundo lugar, propone una comparación entre las críticas que desarrollan Sen y Rosmini a las denominadas por el primero “teorías trascendentales” de la justicia y a los llamado s “cambios estructurales” así como la necesidad de cambios graduales para llegar a una sociedad justa. En tercer lugar, intenta mostrar cómo la opción por las personas y sus capacidades elegida por Sen puede ser iluminada y profundizada desde la teoría rosminiana de las capacidades. En cuarto lugar, describe el giro cognitivo que propone Sen para las instituciones y las políticas públicas. Finalmente, el autor enuncia algunas objeciones que pudieran hacerse al planteo propuesto en el artículo junto con unos comentarios finales sobre las mismas.