Liquid-liquid phase transition for soft-core attractive potential

Using event-driven molecular dynamics simulations, we study a three-dimensional one-component system of spherical particles interacting via a discontinuous potential combining a repulsive square soft core and an attractive square well. In the case of a narrow attractive well, it has been shown that this potential has two metastable gas-liquid critical points. Here we systematically investigate how the changes of the parameters of this potential affect the phase diagram of the system. We find a broad range of potential parameters for which the system has both a gas-liquid critical point C1 and a liquid-liquid critical point C2. For the liquid-gas critical point we find that the derivatives of the critical temperature and pressure, with respect to the parameters of the potential, have the same signs: they are positive for increasing width of the attractive well and negative for increasing width and repulsive energy of the soft core. This result resembles the behavior of the liquid-gas critical point for standard liquids. In contrast, for the liquid-liquid critical point the critical pressure decreases as the critical temperature increases. As a consequence, the liquid-liquid critical point exists at positive pressures only in a finite range of parameters. We present a modified van der Waals equation which qualitatively reproduces the behavior of both critical points within some range of parameters, and gives us insight on the mechanisms ruling the dependence of the two critical points on the potential¿s parameters. The soft-core potential studied here resembles model potentials used for colloids, proteins, and potentials that have been related to liquid metals, raising an interesting possibility that a liquid-liquid phase transition may be present in some systems where it has not yet been observed.

Self and cross-velocity correlation functions and diffusion coefficients in liquids: a molecular dynamics study of binary mixtures of soft spheres

Molecular dynamics simulation is applied to the study of the diffusion properties in binary liquid mixtures made up of soft-sphere particles with different sizes and masses. Self- and distinct velocity correlation functions and related diffusion coefficients have been calculated. Special attention has been paid to the dynamic cross correlations which have been computed through recently introduced relative mean molecular velocity correlation functions which are independent on the reference frame. The differences between the distinct velocity correlations and diffusion coefficients in different reference frames (mass-fixed, number-fixed, and solvent-fixed) are discussed.

Adaptive diversity in heterogeneous environments for populations regulated by a mixture of soft and hard selection

The stable co-existence of two haploid genotypes or two species is studied in a spatially heterogeneous environment submitted to a mixture of soft selection (within-patch regulation) and hard selection (outside-patch regulation) and where two kinds of resource are available. This is analysed both at an ecological time-scale (short term) and at an evolutionary time-scale (long term). At an ecological scale, we show that co-existence is very unlikely if the two competitors are symmetrical specialists exploiting different resources. In this case, the most favourable conditions are met when the two resources are equally available, a situation that should favour generalists at an evolutionary scale. Alternatively, low within-patch density dependence (soft selection) enhances the co-existence between two slightly different specialists of the most available resource. This results from the opposing forces that are acting in hard and soft regulation modes. In the case of unbalanced accessibility to the two resources, hard selection favours the most specialized genotype, whereas soft selection strongly favours the less specialized one. Our results suggest that competition for different resources may be difficult to demonstrate in the wild even when it is a key factor in the maintenance of adaptive diversity. At an evolutionary scale, a monomorphic invasive evolutionarily stable strategy (ESS) always exists. When a linear trade-off exists between survival in one habitat versus that in another, this ESS lies between an absolute adjustment of survival to niche size (for mainly soft-regulated populations) and absolute survival (specialization) in a single niche (for mainly hard-regulated populations). This suggests that environments in agreement with the assumptions of such models should lead to an absence of adaptive variation in the long term.

Discriminant ECOC: a heuristic method for application dependent design of error correcting output codes

We present a heuristic method for learning error correcting output codes matrices based on a hierarchical partition of the class space that maximizes a discriminative criterion. To achieve this goal, the optimal codeword separation is sacrificed in favor of a maximum class discrimination in the partitions. The creation of the hierarchical partition set is performed using a binary tree. As a result, a compact matrix with high discrimination power is obtained. Our method is validated using the UCI database and applied to a real problem, the classification of traffic sign images.

Subclass problem-dependent design for error-correcting output codes

A common way to model multiclass classification problems is by means of Error-Correcting Output Codes (ECOCs). Given a multiclass problem, the ECOC technique designs a code word for each class, where each position of the code identifies the membership of the class for a given binary problem. A classification decision is obtained by assigning the label of the class with the closest code. One of the main requirements of the ECOC design is that the base classifier is capable of splitting each subgroup of classes from each binary problem. However, we cannot guarantee that a linear classifier model convex regions. Furthermore, nonlinear classifiers also fail to manage some type of surfaces. In this paper, we present a novel strategy to model multiclass classification problems using subclass information in the ECOC framework. Complex problems are solved by splitting the original set of classes into subclasses and embedding the binary problems in a problem-dependent ECOC design. Experimental results show that the proposed splitting procedure yields a better performance when the class overlap or the distribution of the training objects conceal the decision boundaries for the base classifier. The results are even more significant when one has a sufficiently large training size.

Isolated limb perfusion with tumor necrosis factor and melphalan for non-resectable soft tissue sarcomas: long-term results on efficacy and limb salvage in a selected group of patients

Background And Objectives: Isolated limb perfusion with TNF-alpha and melphalan (TM-ILP) is a limb salvage therapy for non-resectable soft tissue sarcomas (STS) of the extremities. It is indicated for patients for whom amputation or debilitating surgery is the only alternative. It can be used either as an exclusive therapy (in palliation) or as a neo-adjuvant treatment, followed by marginal resection of tumor remnants with minimal functional impairment. Methods: Between February 1992 and March 2006, 57 TM-ILPs were performed on 51 patients with 88% high grade and 84% advanced stage tumors. Results: Mean follow-up is 38.9 months (4-159, median 22 months). Twenty-one percent patients had significant early complications, with 3 major re-operations, and 23% suffered long-lasting complications. Complete response was observed in 25%, partial response in 42%, stable disease in 14% and progressive disease in 14%. Resection of the tumor remnants was possible in 65%. A complementary treatment was necessary in 31%, mostly radiation therapy. A local recurrence was observed in 35%, after a mean of 20.3 months (2-78), and distant relapse was seen in 45%, after a mean of 13.4 months (5-196). Mean Disease-free survival was 14.9 months, and overall 5-year-survival 43.5%. Amputation rate at 5 years was 24%. Conclusions: TM-ILP is a conservative treatment with a high complications rate, but it can be successful even for the most severe STS of extremities. As a consequence the limb can be spared from amputation or debilitating surgery on the long term in about 75% of patients

Les cegueses del coneixement: l'error i la il·lusió a partir de "El cónsul de sodoma"

Podeu consultar el document complet de la "XVI Setmana de Cinema Formatiu" a: http://hdl.handle.net/2445/22523

Soft Photogrammetry for Highway Engineering, HR-387, 1998

The SoftPlotter, a soft photogrammetric software and Silicon Graphics workstation, was used to evaluate the accuracy of soft photogrammetry and identify applications of this technology to highway engineering. A comparative study showed that SoftPlotter compares well with other software such as Socket and Integraph. The PC software TNTMips is inexpensive but needs further development to be comparable to SoftPlotter. The Campus Project showed that soft photogrammetry is accurate for traditional photogrammetric applications. It is also accurate for producing orthophoto and base maps for Geographic Information Systems (GISs). The Highway Project showed that soft photogrammetry is accurate for highway engineering and that the technical staff at the Iowa Department of Transportation (IA DOT) can be easily trained in this new technology. The research demonstrated that soft photogrammetry can be used with low-flight helicopter photography for large-scale mapping in highway engineering. The researchers recommend that research be conducted to test the use of digital cameras instead of the traditional aerial cameras in helicopter photography. Research that examines the use of soft photogrammetry with video logging imagery for inventory and GIS studies in highway maintenance is also recommended. Research is also warranted into the integration of soft photogrammetry with virtual reality, which can be used in three-dimensional designing and visualization of highways and subdivisions in real time. The IA DOT owns one analytical plotter and two analogue plotters. The analytical plotter is used for aerial triangulation, and the analogue plotters are used for plotting. However, neither is capable of producing orthophotos. Therefore, the researchers recommend that the IA DOT purchase soft photogrammetric workstations for orthophoto production, and if and when required, use it for aerial triangulation and plotting. In the future, the analogue plotters may become obsolete. At that time, the researchers recommend that the analogue plotters be phased out and replaced by soft photogrammetric workstations.

Subjetividad humana y "error" en la filosofía cartesiana

El presente trabajo, continuando la línea investigadora acerca de las nociones derazón, conciencia y subjetividad en Descartes, tal como se ha defendido en otros artículos ya publicados, aporta un nuevo argumento a una línea de trabajo previamente iniciada, poniendo de relieve que el problema gnoseológico del error viene condicionado por la misma noción cartesiana de racionalidad, y que ésta dista mucho de lo que tradicionalmente se ha entendido como una racionalidad abstracta y formal, libre de los imperativos humanos. Por otro lado, y a la inversa, también se intenta mostrar como el hecho del error contribuye, cartesianamente hablando, a definir un modelo de racionalidad profundamentehumanizada. El artículo, tras una introducción, se propone analizar las relaciones entre los conceptos básicos de racionalidad, dogma, y naturaleza, lo que permitirá a continuación dejar constancia de la copertenencia entre racionalidad y error, para acabar viendo como la libertad humana es la vez, y para ambos, su fundamento último.

p53 status correlates with histopathological response in patients with soft tissue sarcomas treated using isolated limb perfusion with TNF-alpha and melphalan.

BACKGROUND: Recombinant tumor necrosis factor-alpha (TNF-alpha) combined to melphalan is clinically administered through isolated limb perfusion (ILP) for regionally advanced soft tissue sarcomas of the limbs. In preclinical studies, wild-type p53 gene is involved in the regulation of cytotoxic action of TNF-alpha and loss of p53 function contributes to the resistance of tumour cells to TNF-alpha. The relationship between p53 status and response to TNF-alpha and melphalan in patients undergoing ILP is unknown. PATIENTS AND METHODS: We studied 110 cases of unresectable limbs sarcomas treated by ILP. Immunohistochemistry was carried out using DO7mAb, which reacts with an antigenic determinant from the N-terminal region of both the wild-type and mutant forms of the p53 protein, and PAb1620mAb, which reacts with the 1620 epitope characteristic of the wild-type native conformation of the p53 protein. The immunohistochemistry data were then correlated with various clinical parameters. RESULTS: P53DO7 was found expressed at high levels in 28 patients, whereas PAb1620 was negative in 20. The tumours with poor histological response to ILP with TNF-alpha and melphalan showed significantly higher levels of p53-mutated protein. CONCLUSIONS: Our results might be a clue to a role of p53 protein status in TNF-alpha and melphalan response in clinical use.

Coocurrencia entre ansiedad y autismo: Las hipótesis del error social y de la carga alostática

Introducción. El concepto de comorbilidad en trastornos del neurodesarrollo como el autismo resulta, en ocasiones, ambiguo. La coocurrencia entre ansiedad y autismo es clínicamente signifi cativa; sin embargo, no siempre es fácil diferenciar si se trata de una comorbilidad"real", donde las dos condiciones comórbidas son fenotípica y etiológicamente idénticas a lo que supondría dicha ansiedad en personas con un desarrollo neurotípico; si se trata de una ansiedad fenotípicamente alterada por los procesos patogénicos de los trastornos del espectro autista, resultando en una variante específica de éstos, o si partimos de una comorbilidad falsa derivada de diagnósticos diferenciales poco exactos. Desarrollo. El artículo plantea dos hipótesis explicativas de dicha coocurrencia, que se retroalimentan entre sí y que no dejan de ser una refl exión en voz alta partiendo de las evidencias científi cas con las que contamos. La primera es la hipótesis del"error social", y considera que el desajuste en el comportamiento social de las personas con autismofruto de alteraciones en los procesos de cognición social contribuye a exacerbar la ansiedad en el autismo. La segunda hipótesis, la de la carga alostática, defi ende que la ansiedad es la respuesta a un estrés crónico, al desgaste o agotamiento que produce la hiperactivación de ciertas estructuras del sistema límbico. Conclusiones. Las manifestaciones prototípicas de la ansiedad presentes en la persona con autismo no siempre se relacionan con las mismas variables biopsicosociales evidenciadas en personas sin autismo. Las evidencias apuntan a respuestas hiperreactivas de huida o lucha (hipervigilancia) cuando la persona se encuentra fuera de su zona de confort, y apoyan la hipótesis del"error social" y de la descompensación del mecanismo de alostasis que permite afrontar el estrés.

Assessment of vascular invasion by bone and soft tissue tumours of the limbs: usefulness of MDCT angiography.

OBJECTIVE: To evaluate the accuracy of computed tomography angiography (CTA) in predicting arterial encasement by limb tumours, by comparing CTA with surgical findings (gold standard). METHODS: Preoperative CTA images of 55 arteries in 48 patients were assessed for arterial status: cross-sectional CTA images were scored as showing a fat plane between artery and tumour (score 0), slight contact between artery and tumour (score 1), partial arterial encasement (score 2) or total arterial encasement (score 3). Reformatted CTA images were assessed for arterial displacement, rigid wall, stenosis or occlusion. At surgery, arteries were classified as free or surgically encased; 45 arteries were free and 10 were surgically encased. RESULTS: Multivariate logistic regression identified the axial CTA score as a relevant predictor for arterial encasement and subsequent vascular intervention during surgery. All sites where CTA showed a fat plane between the tumour and the artery were classified as free at surgery (n = 28/28). The sensitivity of total arterial encasement on CTA (score 3) was 90%, specificity 93%, accuracy 93% and positive likelihood ratio 13.5. CONCLUSION: CTA evidence of total arterial encasement is a highly specific indication of arterial encasement. The presence of fat between the tumour and the artery on CTA rules out arterial involvement at surgery.

Looking for Validity or Testing It? The Perils of Stepwise Regression, Extreme-Scores Analysis, Heteroscedasticity, and Measurement Error

When researchers introduce a new test they have to demonstrate that it is valid, using unbiased designs and suitable statistical procedures. In this article we use Monte Carlo analyses to highlight how incorrect statistical procedures (i.e., stepwise regression, extreme scores analyses) or ignoring regression assumptions (e.g., heteroscedasticity) contribute to wrong validity estimates. Beyond these demonstrations, and as an example, we re-examined the results reported by Warwick, Nettelbeck, and Ward (2010) concerning the validity of the Ability Emotional Intelligence Measure (AEIM). Warwick et al. used the wrong statistical procedures to conclude that the AEIM was incrementally valid beyond intelligence and personality traits in predicting various outcomes. In our re-analysis, we found that the reliability-corrected multiple correlation of their measures with personality and intelligence was up to .69. Using robust statistical procedures and appropriate controls, we also found that the AEIM did not predict incremental variance in GPA, stress, loneliness, or well-being, demonstrating the importance for testing validity instead of looking for it.

Metal complexation by electroanalytical techniques: hard- and soft-modelling approaches

En la investigació de la complexació de metalls mitjançant eines electroanalítiques són emprades dues aproximacions generals. La primera, anomenada de modelatge dur (hardmodelling), es basa en la formulació d'un model fisicoquímic conjunt per als processos electròdic i de complexació i en la resolució analítica o numèrica del model. Posteriorment, l'ajust dels paràmetres del model a les dades experimentals donarà la informació desitjada sobre el procés de complexació. La segona aproximació, anomenada de modelatge tou (soft-modelling), es basa en la identificació d'un model de complexació a partir de l'anàlisi numèrica i estadística de les dades, sense cap assumpció prèvia d'un model. Aquesta aproximació, que ha estat extensivament emprada amb dades espectroscòpiques, ho ha estat poquíssim amb dades electroquímiques. En aquest article tractem de la formulació d'un model (hard-modelling) per a la complexació de metalls en sistemes amb mescles de lligands, incloent-hi lligands macromoleculars, i de l'aplicació d

L'error com a forma de coneixement

" Has comes un error" . " Estas en un error" . " És un error votar aquest parti!" . " És un error votar" . " És un error afirmar que 2 + 3 = 9" . " És un error afirmar que és un error afirmar que 2 + 3 = 5" . " És un error afirmar que, quan dividim, sempre obtenim un nombre més petit" . " És un error que l'existencia precedeixi l'essencia" . " És un error que vulguis enganyar-me" . " És un error afirmar que a = a" ... i així fins a acomplir les il'limitades possibilitats del llenguatge. Qualsevol judici, en la mesura que té un significat, en la mesura que és assertori, és susceptible de ser erroni, de ser fals. Peró, l'error té sempre la mateixa qualitat? Us hem proposat un reguitzell d'exemples. És obvi (si excloem la mentida, que no és error, sinó mentida) que el significat d'" error" (o el seu valor) no és identic en tots els casos.