Analysis of a Lennard-Jones fcc structure melting to the corresponding frozen liquid: differences between the bulk and the surface

We computed a Lennard Jones frozen liquid with a free surface using classical molecular dynamics. The structure factor curves on the free surface of this sample was calculated for different depths knowing that we have periodic boundary conditions on the other parts of the sample. The resulting structure factor curves show an horizontal shift of their first peak depending on how deep in the sample the curves are computed. We analyze our resulting curves in the light of spatial correlation functions during melting and at when the liquid is frozen. The conclusion is that near the free surface the sample is less dense than in the bulk and that the frozen liquid surface has a spatial correlation which does not differ very much from that of the bulk. This result is intrinsic to the melting of the Lennard Jones liquid and does not depend on any other parameter.Comment: 18 pages 9 figure

Lactate-protechypoglycemia (LPH)

Here, we provide an overview of the concept of a lactate-protected hypoglycemia ( LPH ), originally proposed as lowering glucose while simultaneously increasing lactate concentration as a method by which tumors might be targeted. Central to this hypothesis is that lactate can act as a critical salvage fuel for the central nervous system, allowing for wide perturbations in whole body and central nervous system glucose concentrations. Further, many tumors exhibit the Warburg effect, consuming glucose and producing and exporting lactate despite adequate oxygenation. While some recent data have provided evidence for a reverse-Warburg, where some tumors may preferentially consume lactate, many of these experimental methods rely on a significant elevation in lactate in the tumor microenvironment. To date it remains unclear how various tumors behav

Lactate-Protected Hypoglycemia (LPH)

Here, we provide an overview of the concept of a lactate-protected hypoglycemia ("LPH"), originally proposed as lowering glucose while simultaneously increasing lactate concentration as a method by which tumors might be targeted. Central to this hypothesis is that lactate can act as a critical salvage fuel for the central nervous system, allowing for wide perturbations in whole body and central nervous system glucose concentrations. Further, many tumors exhibit "the Warburg" effect, consuming glucose and producing and exporting lactate despite adequate oxygenation. While some recent data have provided evidence for a "reverse-Warburg," where some tumors may preferentially consume lactate, many of these experimental methods rely on a significant elevation in lactate in the tumor microenvironment. To date it remains unclear how various tumors behavein vivo, and how they might respond to perturbations in lactate and glucose concentrations or transport inhibition. By exploiting and targeting lactate transport and metabolism in tumors (with a combination of changes in lactate and glucose concentrations, transport inhibitors, etc.), we can begin developing novel methods for targeting otherwise difficult to treat pathologies in the brain and spinal cord. Here we discuss evidence both experimental and observational, and provide direction for next steps in developing therapies based on these concepts

Web-Based Customizable Viewer for Mars Network Overflight Opportunities

This software displays a full summary of information regarding the overflight opportunities between any set of lander and orbiter pairs that the user has access to view. The information display can be customized, allowing the user to choose which fields to view/hide and filter. The software works from a Web browser on any modern operating system. A full summary of information pertaining to an overflight is available, including the proposed, tentative, requested, planned, and implemented. This gives the user a chance to quickly check for inconsistencies and fix any problems. Overflights from multiple lander/ orbiter pairs can be compared instantly, and information can be filtered through the query and shown/hidden, giving the user a customizable view of the data. The information can be exported to a CSV (comma separated value) or XML (extensible markup language) file. The software only grants access to users who are authorized to view the information. This application is an addition to the MaROS Web suite. Prior to this addition, information pertaining to overflight opportunities would have a limited amount of data (displayed graphically) and could only be shown in strict temporal ordering. This new display shows more information, allows direct comparisons between overflights, and allows the data to be manipulated in ways that it was unable to be done in the past. The current software solution is to use CSV files to view the overflight opportunities

Mars Express Forward Link Capabilities for the Mars Relay Operations Service (MaROS)

This software provides a new capability for landed Mars assets to perform forward link relay through the Mars Express (MEX) European Union orbital spacecraft. It solves the problem of standardizing the relay interface between lander missions and MEX. The Mars Operations Relay Service (MaROS) is intended as a central point for relay planning and post-pass analysis for all Mars landed and orbital assets. Through the first two phases of implementation, MaROS supports relay coordination through the Odyssey orbiter and the Mars Reconnaissance Orbiter (MRO). With this new software, MaROS now fully integrates the Mars Express spacecraft into the relay picture. This new software generates and manages a new set of file formats that allows for relay request to MEX for forward and return link relay, including the parameters specific to MEX. Existing MEX relay planning interactions were performed via email exchanges and point-to-point file transfers. By integrating MEX into MaROS, all transactions are managed by a centralized service for tracking and analysis. Additionally, all lander missions have a single, shared interface with MEX and do not have to integrate on a mission-by mission basis. Relay is a critical element of Mars lander data management. Landed assets depend largely upon orbital relay for data delivery, which can be impacted by the availability and health of each orbiter in the network. At any time, an issue may occur to prevent relay. For this reason, it is imperative that all possible orbital assets be integrated into the overall relay picture

Exploring catalyst passivation with NMR relaxation

NMR relaxation has recently emerged as a novel and non-invasive tool for probing the surface dynamics of adsorbate molecules within liquid-saturated mesoporous catalysts. The elucidation of such dynamics is of particular relevance to the study and development of solvated green catalytic processes, such as the production of chemicals and fuels from bio-resources. In this paper we develop and implement a protocol using high field (1)H NMR spin-lattice relaxation as a probe of the reorientational dynamics of liquids imbibed within mesoporous oxide materials. The observed relaxation of liquids within mesoporous materials is highly sensitive to the adsorbed surface layer, giving insight into tumbling behaviour of spin-bearing chemical environments at the pore surface. As a prototypical example of relevance to liquid-phase catalytic systems, we examine the mobility of liquid methanol within a range of common catalyst supports. In particular, through the calculation and comparison of a suitable interaction parameter, we assess and quantify changes to these surface dynamics upon replacing surface hydroxyl groups with hydrophobic alkyl chains. Our results indicate that the molecular tumbling of adsorbed methanol is enhanced upon surface passivation due to the suppression of surface-adsorbate hydrogen bonding interactions, and tends towards that of the unrestricted bulk liquid. A complex analysis in which we account for the influence of changing pore structure and surface chemistry upon passivation is discussed. The results presented highlight the use of NMR spin-lattice relaxation measurements as a non-invasive probe of molecular dynamics at surfaces of interest to liquid-phase heterogeneous catalysis.N. R. would like to thank the Catalysis@Cambridge initiative for the studentship. C. D. would like to acknowledge the support of Wolfson College Cambridge. Mr Zlatko Saracevic is also gratefully acknowledged for performing the pore size measurements

MaROS: Web Visualization of Mars Orbiting and Landed Assets

Mars Relay operations currently involve several e-mails and phone calls between lander and orbiter teams in order to settle on an agreed time for performing a communication pass between the landed asset (i.e. rover or lander) and orbiter, then back to Earth. This new application aims to reduce this complexity by presenting a visualization of the overpass time ranges and elevation angle, as well as other information. The user is able to select a specific overflight opportunity to receive further information about that particular pass. This software presents a unified view of the potential communication passes available between orbiting and landed assets on Mars. Each asset is presented to the user in a graphical view showing overpass opportunities, elevation angle, requested and acknowledged communication windows, forward and back latencies, warnings, conflicts, relative planetary times, ACE Schedules, and DSN information. This software is unique in that it is the first of its kind to visually display the information regarding communication opportunities between landed and orbiting Mars assets. The software is written using ActionScript/FLEX, a Web language, meaning that this information may be accessed over the Internet from anywhere in the world

Mars Relay Lander and Orbiter Overflight Profile Estimation

This software allows science and mission operations to view graphs of geometric overflights of satellites and landers within the Mars (or other planetary) networks. It improves on the MaROS Web interface within any modern Web browser, in that it adds new capabilities to the MaROS suite. The profile for an overflight is an important element for selecting communication/ overflight opportunities between the landers and orbiters within the Mars network. Unfortunately, determining these estimates is very computationally expensive and difficult to compute by hand. This software allows the user to select different overflights (via the existing MaROS Web interface) and specify the smoothness of the estimation. Estimates for the geometric relationship between a lander and an orbiter are determined based upon the orbital conditions of the orbiter at the moment the orbiter rises above the horizon from the perspective of the lander. It utilizes 2-body orbital equations to propagate the trajectory through the duration of the view period, and returns profiles that represent the range between the two vehicles, and the elevation and azimuth angles of the orbiter as measured from the lander s position. The algorithms assume a 2-body relationship with an ideal, spherical planetary body, so therefore can see errors less than 2% at polar landing sites on Mars. These algorithms are being implemented to provide rough estimates rapidly for the geometry of a geometric view period where more complete data is unavailable, such as for planning purposes. While other software for this task exists, each at the time of this reporting has been contained within a much more complicated package. This tool allows science and mission operations to view the estimates with a few clicks of the mouse