Accurate ground-state potential energy surfaces of the C2H2–Kr and C2H2–Xe van der Waals complexes

Accurate ab initio intermolecular potential energy surfaces (IPES) have been obtained for the first time for the ground electronic state of the C 2H2-Kr and C2H2-Xe van der Waals complexes. Extensive tests, including complete basis set and all-electron scalar relativistic results, support their calculation at the CCSD(T) level of theory, using small-core relativistic pseudopotentials for the rare-gas atoms and aug-cc-pVQZ basis sets extended with a set of 3s3p2d1f1g mid-bond functions. All results are corrected for the basis set superposition error. The importance of the scalar relativistic and rare-gas outer-core (n.1)d correlation effects is investigated. The calculated IPES, adjusted to analytical functions, are characterized by global minima corresponding to skew T-shaped geometries, in which the Jacobi vector positioning the rare-gas atom with respect to the center of mass of the C2H2 moiety corresponds to distances of 4.064 and 4.229Å, and angles of 65.22° and 68.67° for C 2H2-Kr and C2H2-Xe, respectively. The interaction energy of both complexes is estimated to be -151.88 (1.817 kJ mol-1) and -182.76 cm-1 (2.186 kJ mol-1), respectively. The evolution of the topology of the IPES as a function of the rare-gas atom, from He to Xe, is also discussed. © 2012 Taylor and Francis.

Parliamentary party loyalty and party family: the missing link?

info:eu-repo/semantics/inPress

Expression of liver-specific member of the 3β-hydroxysteroid dehydrogenase family, an isoform possessing an almost exclusive 3-ketosteroid reductase activity

We have recently characterized two types of rat 3β-hydroxysteroid dehydrogenase/Δ5-Δ4 isomerase (3β-HSD) isoenzymes expressed in adrenals and gonads. In addition, we have cloned a third type of cDNA encoding a predicted type III 3β-HSD protein specifically expressed in the male rat liver which shares 80% similarity with the two other isoenzymes. Transient expression in human HeLa cells of the cDNAs reveals that the type III 3β-HSD protein does not display oxidative activity for the classical substrates of 3β-HSD, in contrast to the type I 3β-HSD isoenzyme. However, in the presence of NADH, type III isoenzyme, in common with the type I isoform, converts 5α-androstane-3,17-dione (A-dione) and 5α-dihydrotestosterone (DHT) to the corresponding 3β-hydroxysteroids. In fact, the type I and the type III isoenzymes have the same affinity for DHT with K(m) values of 5.05 and 6.16 μM, respectively. When NADPH is used as cofactor, the affinity for DHT of the type III isoform becomes higher than that of the type I isoform with K(m) values of 0.12 and 1.18 μM, respectively. The type III isoform is thus a 3-ketoreductase using NADPH as preferred cofactor which is responsible for the conversion of 3-keto-saturated steroids such as DHT and A-dione into less active steroids.

Heavy metals in family orchards of the NGO "A roof for my country"

p.19-29

Heavy metals in family orchards of the NGO "A roof for my country"

p.19-29

La elipse como lugar geométrico a través de la geometría del doblado de papel en el contexto de Van Hiele

El presente artículo es un producto derivado de la investigación: “La elipse como lugar geométrico a través de la geometría del doblado de papel en el contexto de Van Hiele”, en la que se analizó el proceso de comprensión del concepto de elipse como lugar geométrico, de cinco estudiantes del grado décimo de una Institución Educativa de la ciudad de Medellín. El estudio de casos cualitativo permitió el establecimiento de los descriptores de los niveles de razonamiento de Van Hiele que caracterizaron dicho proceso de comprensión y a su vez, iluminaron la creación de un guion de entrevista de carácter socrático, que se convirtió en una experiencia de aprendizaje para los estudiantes en tanto que les permitió avanzar en su nivel de razonamiento.

Fases de aprendizaje en el contexto de van Hiele para el concepto de continuidad local

El presente reporte articula el modelo educativo de van Hiele en su aspecto prescriptivo con la enseñanza de uno de los conceptos fundamentales del Análisis Matemático, continuidad local, a través de la implementación y el desarrollo de un Módulo de Aprendizaje que permite procesos de razonamiento en los estudiantes con el fin de promoverlos de un Nivel II a un Nivel III, el módulo es construido en correspondencia con los descriptores de fases para de dar cuenta de las estructuras mentales elaboradas. Posteriormente, en el análisis de cada uno de los tres casos, se describe en categorías en correspondencia los descriptores y donde se hace explícito como razonan los estudiantes en su paso del Nivel II al Nivel III respecto al concepto de continuidad local.

Determinación de niveles Van Hiele en alumnos de primer año medio sobre la transformación isométrica de simetría

Este artículo presenta los resultados de una investigación realizada en alumnos de primer año medio del Liceo Eleuterio Ramírez de Osorno. El objetivo de dicha investigación era conocer el desarrollo del pensamiento geométrico en el tema de transformaciones isométricas según la Teoría de Van Hiele. La metodología de investigación es cualitativa, específicamente mediante estudio de casos. La recolección de datos se realizó mediante un seguimiento en el desarrollo de las actividades planteadas, observación de participantes y entrevistas. Como resultado se obtuvo que los alumnos mayoritariamente exhiben características del nivel 1 de reconocimiento para la isometría de simetría.

Aspectos comparativos en la extensión del modelo de Van Hiele al concepto de aproximación local

En el contexto del modelo de Van Hiele, se ha llevado a cabo un estudio comparativo de dos colecciones de descriptores para el mismo concepto: El de aproximación local en su manifestación de la recta tangente a la gráfica de una curva en un punto. A partir de las visualizaciones que se obtienen de los mecanismos llamados "haz de secantes" y del "zoom", se concluye que, en efecto, el nivel de razonamiento es independiente de la forma de abordar el concepto, de ese mecanismo particular usado para acercarse al mismo.

On-line algorithms for single machine scheduling with family setup times

The paper considers an on-line single machine scheduling problem where the goal is to minimize the makespan. The jobs are partitioned into families and a setup is performed every time the machine starts processing a batch of jobs of the same family. The scheduler is aware of the number of families and knows the setup time of each family, although information about a job only becomes available when that job is released. We give a lower bound on the competitive ratio of any on-line algorithm. Moreover, for the case of two families, we provide an algorithm with a competitive ratio that achieves this lower bound. As the number of families increases, the lower bound approaches 2, and we give a simple algorithm with a competitive ratio of 2.

The Richit-Richards family of distributions and its use in forestry

Johnson's SB and the logit-logistic are four-parameter distribution models that may be obtained from the standard normal and logistic distributions by a four-parameter transformation. For relatively small data sets, such as diameter at breast height measurements obtained from typical sample plots, distribution models with four or less parameters have been found to be empirically adequate. However, in situations in which the distributions are complex, for example in mixed stands or when the stand has been thinned or when working with aggregated data, then distribution models with more shape parameters may prove to be necessary. By replacing the symmetric standard logistic distribution of the logit-logistic with a one-parameter “standard Richards” distribution and transforming by a five-parameter Richards function, we obtain a new six-parameter distribution model, the “Richit-Richards”. The Richit-Richards includes the “logit-Richards”, the “Richit-logistic”, and the logit-logistic as submodels. Maximum likelihood estimation is used to fit the model, and some problems in the maximum likelihood estimation of bounding parameters are discussed. An empirical case study of the Richit-Richards and its submodels is conducted on pooled diameter at breast height data from 107 sample plots of Chinese fir (Cunninghamia lanceolata (Lamb.) Hook.). It is found that the new models provide significantly better fits than the four-parameter logit-logistic for large data sets.

An improved approximation algorithm for the two-machine open shop scheduling problem with family setup times

We consider the problem of scheduling families of jobs in a two-machine open shop so as to minimize the makespan. The jobs of each family can be partitioned into batches and a family setup time on each machine is required before the first job is processed, and when a machine switches from processing a job of some family to a job of another family. For this NP-hard problem the literature contains (5/4)-approximation algorithms that cannot be improved on using the class of group technology algorithms in which each family is kept as a single batch. We demonstrate that there is no advantage in splitting a family more than once. We present an algorithm that splits one family at most once on a machine and delivers a worst-case performance ratio of 6/5.

Family, community and politics: the fertile legacy of Michael Young

The Institute of Community Studies was set up by Michael Young in order to carry out research on politically relevant social issues, in a context free from direct political control. A research method was devised for it whereby researchers made their own values and objectives very explicit, while staying as close as possible in their reports to the concerns and language of respondents themselves. This method has often been criticized by professional sociologists: but it reflects quite well the nature of social knowledge. It has produced reports which help to increase public understanding of social processes, and provide useful guidance to policy makers. Professional sociology on the other hand has tried to develop a rigorously value-free method. As a result, though, it often seems to be tied implicitly to values shared among researchers but not more universally. Arguably this makes it harder for the general public to understand, and accept, its findings.

Insolvency: ordering a sale of the family home

Comments on the Chancery Division ruling in Nicholls v Lan on whether the interests of a bankrupt husband's creditors prevailed over those of the wife, despite her circumstances being exceptional within the meaning of the Insolvency Act 1986 s.335A on account of her suffering from chronic schizophrenia, where the wife was the joint owner of another property which could be realised to buy out the trustee in bankruptcy's half share in the equity of the matrimonial home.