SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range

In this work, we develop coarse-grained (CG) force fields for water, where the effective CG intermolecular interactions between particles are estimated from an accurate description of the macroscopic experimental vapour-liquid equilibria data by means of a molecular-based equation of state. The statistical associating fluid theory for Mie (generalised Lennard-Jones) potentials of variable range (SAFT-VR Mie) is used to parameterise spherically symmetrical (isotropic) force fields for water. The resulting SAFT-γ CG models are based on the Mie (8-6) form with size and energy parameters that are temperature dependent; the latter dependence is a consequence of the angle averaging of the directional polar interactions present in water. At the simplest level of CG where a water molecule is represented as a single bead, it is well known that an isotropic potential cannot be used to accurately reproduce all of the thermodynamic properties of water simultaneously. In order to address this deficiency, we propose two CG potential models of water based on a faithful description of different target properties over a wide range of temperatures: our CGW1-vle model is parameterised to match the saturated-liquid density and vapour pressure; our other CGW1-ift model is parameterised to match the saturated-liquid density and vapour-liquid interfacial tension. A higher level of CG corresponding to two water molecules per CG bead is also considered: the corresponding CGW2-bio model is developed to reproduce the saturated-liquid density and vapour-liquid interfacial tension in the physiological temperature range, and is particularly suitable for the large-scale simulation of bio-molecular systems. A critical comparison of the phase equilibrium and transport properties of the proposed force fields is made with the more traditional atomistic models

Deletion of annexin 2 light chain p11 in nociceptors causes deficits in somatosensory coding and pain behavior

The S100 family protein p11 (S100A10, annexin 2 light chain) is involved in the trafficking of the voltage-gated sodium channel Na(V)1.8, TWIK-related acid-sensitive K+ channel (TASK-1), the ligand-gated ion channels acid-sensing ion channel 1a (ASIC1a) and transient receptor potential vanilloid 5/6 (TRPV5/V6), as well as 5-hydroxytryptamine receptor 1B (5-HT1B), a G-protein-coupled receptor. To evaluate the role of p11 in peripheral pain pathways, we generated a loxP-flanked (floxed) p11 mouse and used the Cre-loxP recombinase system to delete p11 exclusively from nociceptive primary sensory neurons in mice. p11-null neurons showed deficits in the expression of NaV1.8, but not of annexin 2. Damage-sensing primary neurons from these animals show a reduced tetrodotoxin-resistant sodium current density, consistent with a loss of membrane-associated NaV1.8. Noxious coding in wide-dynamic-range neurons in the dorsal horn was markedly compromised. Acute pain behavior was attenuated in certain models, but no deficits in inflammatory pain were observed. A significant deficit in neuropathic pain behavior was also apparent in the conditional-null mice. These results confirm an important role for p11 in nociceptor function

Domain walls and instantons in N=1, d=4 supergravity

We study the supersymmetric sources of (multi-) domain-wall and (multi-) instanton solutions of generic N=1, d=4 supergravities, that is: the worldvolume effective actions for said supersymmetric topological defects. The domain-wall solutions naturally couple to the two 3-forms recently found as part of the N=1, d=4 tensor hierarchy (i.e. they have two charges in general) and their tension is the absolute value of the superpotential section L. The introduction of sources (we study sources with finite and vanishing thickness) is equivalent to the introduction of local coupling constants and results in dramatic changes of the solutions. Our results call for a democratic reformulation of N=1,d=4 supergravity in which coupling constants are, off-shell, scalar fields. The effective actions for the instantons are always proportional to the coordinate orthogonal to the twist-free embedding of the null-geodesic (in the Wick-rotated scalar manifold) describing the instanton. We show their supersymmetry and find the associated supersymmetric (multi-) instanton solutions.Comment: 34 pages, 4 figures, references adde

Counting supersymmetric branes

Maximal supergravity solutions are revisited and classified, with particular emphasis on objects of co-dimension at most two. This class of solutions includes branes whose tension scales with g_s^{-\sigma} for \sigma>2. We present a group theory derivation of the counting of these objects based on the corresponding tensor hierarchies derived from E11 and discrete T- and U-duality transformations. This provides a rationale for the wrapping rules that were recently discussed for \sigma<4 in the literature and extends them. Explicit supergravity solutions that give rise to co-dimension two branes are constructed and analysed.Comment: 1+33 pages. To the memory of Laurent Houart. v2: Published version with added reference

Pneumonia Caused by Klebsiella spp. in 46 Horses.

BackgroundKlebsiella spp. are implicated as a common cause of bacterial pneumonia in horses, but few reports describe clinical presentation and disease progression.Hypothesis/objectivesTo describe the signalment, clinicopathologic data, radiographic and ultrasonographic findings, antimicrobial susceptibility, outcome, and pathologic lesions associated with Klebsiella spp. pneumonia in horses.AnimalsForty-six horses from which Klebsiella spp. was isolated from the lower respiratory tract.MethodsRetrospective study. Medical records from 1993 to 2013 at the William R. Pritchard Veterinary Medical Teaching Hospital, University of California, Davis were reviewed. Exact logistic regression was performed to determine if any variables were associated with survival to hospital discharge.ResultsSurvival in horses &lt;1 year old was 73%. Overall survival in adults was 63%. For adults in which Klebsiella pneumoniae was the primary isolate, survival was 52%. Mechanical ventilation preceded development of pneumonia in 11 horses. Complications occurred in 25/46 horses, with thrombophlebitis and laminitis occurring most frequently. Multi-drug resistance was found in 47% of bacterial isolates. Variables that significantly impacted survival included hemorrhagic nasal discharge, laminitis, and thoracic radiographs with a sharp demarcation between marked caudal pulmonary alveolar infiltration and more normal-appearing caudodorsal lung.Conclusions and clinical importanceKlebsiella spp. should be considered as a differential diagnosis for horses presenting with hemorrhagic pneumonia and for horses developing pneumonia after mechanical ventilation. Multi-drug resistance is common. Prognosis for survival generally is fair, but is guarded for adult horses in which K. pneumoniae is isolated as the primary organism

Psychometric properties of the Arabic version of the PedsQL™ Family Impact Scale

Treatment of childhood cancer and its side effects can exert a negative impact on patients’ parents. A valid and reliable instrument to measure family functioning In Arabic families was considered to be a vital resource. The PedsQL Family Impact Scale and the PedsQL Healthcare Satisfaction Hematology/Oncology Scale - Parent report were completed by 113 Jordanian parents of children with cancer. Cronbach's alpha coefficient was found to be excellent at 0.93 for the total PedsQL Family Impact Scale, which correlated significantly with the PedsQL Healthcare Satisfaction Hematology/Oncology Scale - Parent report, demonstrating good construct validity. The Arabic version of the PedsQL Family Impact Scale is both valid and reliable for use with parents of children with cancer

MPEG Reconfigurable Video Coding

WOS - ISBN: 978-1-4419-6344-4The currentmonolithic and lengthy scheme behind the standardization and the design of new video coding standards is becoming inappropriate to satisfy the dynamism and changing needs of the video coding community. Such a scheme and specification formalism do not enable designers to exploit the clear commonalities between the different codecs, neither at the level of the specification nor at the level of the implementation. Such a problem is one of the main reasons for the typical long time interval elapsing between the time a new idea is validated until it is implemented in consumer products as part of a worldwide standard. The analysis of this problem originated a new standard initiative within the ISO/IEC MPEG committee, called Reconfigurable Video Coding (RVC). The main idea is to develop a video coding standard that overcomes many shortcomings of the current standardization and specification process by updating and progressively incrementing a modular library of components. As the name implies, flexibility and reconfigurability are new attractive features of the RVC standard. The RVC framework is based on the usage of a new actor/dataflow oriented language called CAL for the specification of the standard library and the instantiation of the RVC decoder model. CAL dataflow models expose the intrinsic concurrency of the algorithms by employing the notions of actor programming and dataflow. This chapter gives an overview of the concepts and technologies building the standard RVC framework and the non standard tools supporting the RVC model from the instantiation and simulation of the CAL model to the software and/or hardware code synthesis

Primary care physician practices in the diagnosis, treatment and management of men with chronic prostatitis/chronic pelvic pain syndrome.

To describe practice patterns of primary care physicians (PCPs) for the diagnosis, treatment and management of chronic prostatitis/chronic pelvic pain syndrome (CP/CPPS), we surveyed 556 PCPs in Boston, Chicago, and Los Angeles (RR=52%). Only 62% reported ever seeing a patient like the one described in the vignette. In all, 16% were 'not at all' familiar with CP/CPPS, and 48% were 'not at all' familiar with the National Institutes of Health classification scheme. PCPs reported practice patterns regarding CP/CPPS, which are not supported by evidence. Although studies suggest that CP/CPPS is common, many PCPs reported little or no familiarity, important knowledge deficits and limited experience in managing men with this syndrome

On Topologically Massive Spin-2 Gauge Theories beyond Three Dimensions

We investigate in which sense, at the linearized level, one can extend the 3D topologically massive gravity theory beyond three dimensions. We show that, for each k=1,2,3... a free topologically massive gauge theory in 4k-1 dimensions can be defined describing a massive "spin-2" particle provided one uses a non-standard representation of the massive "spin-2" state which makes use of a two-column Young tableau where each column is of height 2k-1. We work out the case of k=2, i.e. 7D, and show, by canonical analysis, that the model describes, unitarily, 35 massive "spin-2" degrees of freedom. The issue of interactions is discussed and compared with the three-dimensional situation.Comment: 14 pages. v2: minor changes - published versio