Entropy and the driving force for the filling of carbon nanotubes with water

The spontaneous filling of hydrophobic carbon nanotubes (CNTs) by water observed both experimentally and from simulations is counterintuitive because confinement is generally expected to decrease both entropy and bonding, and remains largely unexplained. Here we report the entropy, enthalpy, and free energy extracted from molecular dynamics simulations of water confined in CNTs from 0.8 to 2.7-nm diameters. We find for all sizes that water inside the CNTs is more stable than in the bulk, but the nature of the favorable confinement of water changes dramatically with CNT diameter. Thus we find (i) an entropy (both rotational and translational) stabilized, vapor-like phase of water for small CNTs (0.8–1.0 nm), (ii) an enthalpy stabilized, ice-like phase for medium-sized CNTs (1.1–1.2 nm), and (iii) a bulk-like liquid phase for tubes larger than 1.4 nm, stabilized by the increased translational entropy as the waters sample a larger configurational space. Simulations with structureless coarse-grained water models further reveal that the observed free energies and sequence of transitions arise from the tetrahedral structure of liquid water. These results offer a broad theoretical basis for understanding water transport through CNTs and other nanostructures important in nanofluidics, nanofiltrations, and desalination

State-resolved rotational cross sections and thermal rate coefficients for ortho-/para-H2+HD at low temperatures and HD+HD elastic scattering

Results for quantum mechanical calculations of the integral cross sections and corresponding thermal rate coefficients for para-/ortho-H2+HD collisions are presented. Because of significant astrophysical interest in regard to the cooling of primodial gas the low temperature limit of para-/ortho-H2+HD is investigated. Sharp resonances in the rotational state-resolved cross sections have been calculated at low energies. These resonances are important and significantly contribute to the corresponding rotational state-resolved thermal rate coefficients, particularly at low temperatures, that is less than $T \sim 100$K. Additionally in this work, the cross sections for the elastic HD+HD collision have also been calculated. We obtained quite satisfactory agreement with the results of other theoretical works and experiments.Comment: 16 pages, 5 figures, additional results include

The multi-targeted kinase inhibitor sunitinib induces apoptosis in colon cancer cells via PUMA

Constitutive activation of pro-survival kinases has become a promising target of small molecules with an increasing interest in developing multi-targeted agents. The mechanisms underlying the responsiveness to most agents targeting cancer specific survival pathways are still poorly understood but critical for their clinical application. In this study, we found that sunitinib, a small molecule inhibitor of multiple tyrosine kinases including VEGFRs and PDGFRs induces apoptosis and inhibits cell growth in colon cancer cells in cell culture and xenograft models via the BH3-only protein PUMA. Sunitinib treatment induced PUMA transcription via the AKT/FoxO3a axis. PUMA, BH3 mimetics, or 5-Flurourical sensitized colon cancer cells to sunitinib-induced apoptosis. Furthermore, PUMA was induced by sunitinib treatment in xenograft tumors, and deficiency in PUMA significantly suppressed the anti-tumor effects of sunitinib. Our study suggests that PUMA-mediated apoptosis is important for the therapeutic responses to sunitinib, and activation of the mitochondrial pathway by BH3 mimetics or PUMA manipulation may be useful for improving the antitumor activity of sunitinib. Modulation of PUMA and selective Bcl-2 family members might be potential biomarkers for predicting sunitinib responses. © 2012 Sun et al

Pathways into living alone in mid-life: diversity and policy implications

This paper adopts a life course approach to investigate the pathways into living alone in mid-life in Britain and how these vary by gender and socio-economic status. The rise in the proportion of people living alone over the past three decades has been well documented. However, much of the focus of the existing literature has been on either people living solo in young adulthood or in later life. Mid-life has received surprising little scholarly attention, despite the fact that living arrangements in mid-life are changing rapidly, and that household composition and socio-economic circumstances in the period immediately prior to retirement are strongly associated with living arrangements and associated sources of support in later life. This paper therefore aims to fill this gap. We begin with a review of previous research on living alone and present a conceptual framework of the pathways into living alone in mid-life. Data from the United Kingdom Household Longitudinal Survey (UKHLS) are used to analyse the partnership and parenthood histories and socio-economic characteristics of those currently living alone in mid-life. The findings indicate that the dissolution of a marriage with children is the dominant pathway into mid-life solo-living, but that there is also a substantial group of never partnered men living alone. These never partnered men are split between those with low and high socio-economic status. Distinguishing between different groups of individuals living alone in mid-life is important for policy as these groups of men and women will have different social and financial resources as they enter later life. Mid-life men living alone who have not had children, have no educational qualifications, are not economically active and who live in rented housing are likely to be most at risk of needing a social and economic ‘safety net’ in old age

'Mutations in LAMB2 associate with albuminuria and Optic Nerve Hypoplasia with Hypopituitarism'

CONTEXT: Mutations in LAMB2, encoding the basement membrane protein, laminin β2, are associated with an autosomal recessive disorder characterized by congenital nephrotic syndrome, ocular abnormalities and neurodevelopmental delay (Pierson Syndrome). CASE DESCRIPTION: This report describes a twelve year old boy with short stature, visual impairment and developmental delay who presented with macroscopic haematuria and albuminuria. He had isolated growth hormone deficiency, optic nerve hypoplasia and a small anterior pituitary with corpus callosum dysgenesis on his cranial MRI, thereby supporting a diagnosis of optic nerve hypoplasia syndrome. Renal histopathology revealed focal segmental glomerulosclerosis. Using next generation sequencing on a targeted gene panel for steroid resistant nephrotic syndrome, compound heterozygous missense mutations were identified in LAMB2 [c.737G>A p.Arg246Gln, c.3982G>C p.Gly1328Arg]. Immunohistochemical analysis revealed reduced glomerular laminin β2 expression compared to control kidney and a thin basement membrane on electron microscopy. Laminin β2 is expressed during pituitary development and Lamb2-/- mice exhibit stunted growth, abnormal neural retinae and here, we show, abnormal parenchyma of the anterior pituitary gland. CONCLUSION: We propose that patients with genetically undefined optic nerve hypoplasia syndrome should be screened for albuminuria and if present, screened for mutations in LAMB2

Liar, liar, working memory on fire: Investigating the role of working memory in childhood verbal deception

The aim of the current study was to investigate the role of working memory in verbal deception in children. We presented 6- and 7-year-olds with a temptation resistance paradigm; they played a trivia game and were then given an opportunity to peek at the final answers on the back of a card. Measures of both verbal and visuospatial working memory were included. The good liars performed better on the verbal working memory test in both processing and recall compared with the bad liars. However, there was no difference in visuospatial working scores between good liars and bad liars. This pattern suggests that verbal working memory plays a role in processing and manipulating the multiple pieces of information involved in lie-telling

Influence of affective image content on subjective quality assessment

Image quality assessment (IQA) enables distortions introduced into an image (e.g., through lossy compression or broadcast) to be measured and evaluated for severity. It is unclear to what degree affective image content may influence this process. In this study, participants (n=25) were found to be unable to disentangle affective image content from objective image quality in a standard IQA procedure (single stimulus numerical categorical scale). We propose that this issue is worthy of consideration, particularly in single stimulus IQA techniques, in which a small number of handpicked images, not necessarily representative of the gamut of affect seen in true broadcasting, and unrated for affective content, serve as stimuli

Critical review of strategic planning research in hospitality and tourism

Strategic planning remains one of the most popular management tools, but theoretical and empirical developments in the academic literature have been a slow burn. This paper addresses this gap and provides an up-to-date review of hospitality and tourism strategic planning research. We review strategic planning research from 1995 to 2013 in seven leading tourism academic journals, and adopt a modern and broad conceptualization of strategic planning. While there is some awareness of effective tourism strategic planning processes, academic research has not kept pace with practice. To stimulate a resurgence of research interest, we provide future research directions. We observe a methodological introspection and present some new research methodologies, which are critically important in researching the turbulent, chaotic and nonlinear tourism environment

Time domain numerical modeling of wave propagation in 2D heterogeneous porous media

This paper deals with the numerical modeling of wave propagation in porous media described by Biot's theory. The viscous efforts between the fluid and the elastic skeleton are assumed to be a linear function of the relative velocity, which is valid in the low-frequency range. The coexistence of propagating fast compressional wave and shear wave, and of a diffusive slow compressional wave, makes numerical modeling tricky. To avoid restrictions on the time step, the Biot's system is splitted into two parts: the propagative part is discretized by a fourth-order ADER scheme, while the diffusive part is solved analytically. Near the material interfaces, a space-time mesh refinement is implemented to capture the small spatial scales related to the slow compressional wave. The jump conditions along the interfaces are discretized by an immersed interface method. Numerical experiments and comparisons with exact solutions confirm the accuracy of the numerical modeling. The efficiency of the approach is illustrated by simulations of multiple scattering.Comment: Journal of Computational Physics (March 2011