Excess-entropy scaling of dynamics for a confined fluid of dumbbell-shaped particles

We use molecular simulation to study the ability of excess entropy scaling relationships to describe the kinetic properties of a confined molecular system. We examine a model for a confined fluid consisting of dumbbell-shaped molecules that interact with atomistically detailed pore walls via a Lennard-Jones potential. We obtain kinetic, thermodynamic, and structural properties of the system at three wall-fluid interaction strengths and over a temperature range that includes sub-and super-critical conditions. Four dynamic properties are considered: translational and rotational diffusivities, a characteristic relaxation time for rotational motion, and a collective relaxation time stemming from analysis of the coherent intermediate scattering function. We carefully consider the reference state used to define the excess entropy of a confined fluid. Three ideal-gas reference states are considered, with the cases differentiated by the extent to which one-body spatial and orientational correlations are accounted for in the reference state. Our results indicate that a version of the excess entropy that includes information related to the one-body correlations in a confined fluid serves as the best scaling variable for dynamic properties. When adopting such a definition for the reference state, to a very good approximation, bulk and confined data for a specified dynamic property at a given temperature collapse onto a common curve when plotted against the excess entropy.National Science Foundation CBET-0828979Welch Foundation F-1696David and Lucile Packard FoundationChemical Engineerin

Centre Commissioned External Review (CCER) of the IWMI-TATA Water Policy Research Program

Agricultural research / Research projects / Project appraisal / Financing / Institutional development / Evaluation / Water policy / Water management / Irrigation management / Groundwater

Appearance Potential Spectroscopy of Solid Surfaces

Among the techniques utilized for the study of unfilled density of states above the Fermi level in a system, appearance potential spectroscopy (APS) has emerged as one of the simplest. Some review papers on APS have appeared in the last decade. Since then APS has been applied to several interesting systems, the studies of which have been limited by other experimental techniques available. This paper reviews some of these applications of APS. We discuss briefly the one-electron theory describing the APS process and outline the basic experimental set-ups used by workers in this field. We then survey some important applications of this technique to simple, as well as, multi-component systems. The results of the applications cited are compared with those from other techniques wherever available. The electronic structure of transition metals, rare earths and their intermetallics as obtained from APS spectra are discussed. The phenomena of adsorption and fine structure which are dependent on the surface sensitivity of APS are also dealt with by including some interesting applications. Finally, we take into account the strengths and limitations of this technique and outline the prospects of this spectroscopy in attaining its importance among the various surface spectroscopies

Enhancement of drought-induced senescence by the reproductive sink in fertile lines of wheat and Sorghum

The leaf senescence pattern was examined in water-stressed male sterile and fertile lines of wheat (Triticum aestivum) and sorghum (Sorghum vulgare). The study was conducted at the seedling stage and during grain development. The loss of leaf area and chlorophyll content induced by water stress was similar in the male sterile and fertile lines of wheat at the seedling stage. At the grain filling stage, leaf senescence occurred at a faster rate in the fertile lines as compared to sterile lines of both wheat and sorghum. The study indicates that a reproductive sink accentuates drought-induced leaf senescence

Targeted Treatment of Differentiated and Medullary Thyroid Cancer

The incidence of thyroid cancer is increasing, with a concomitant increase in the number of patients with advanced and metastatic disease. Discoveries regarding the pathogenesis of thyroid cancer have led to the recent development of new therapeutic agents that are beginning to appear on the market. Many of these new agents are targeted kinase inhibitors primarily affecting oncogenic kinases (BRAF V600E, RET/PTC) or signaling kinases (VEGFR, PDGFR). Some of these agents report significant partial response rates, while others attain stabilization of disease as their best response. Their impact on survival is unclear. While these agents target similar pathways, a wide variety of differences exist regarding efficacy and side effect profile. Current expert opinion advises that these agents be used only in a specific subset of patients

Sorption of Water & Some Straight- & Branched-chain Aliphatic Alcohols by Casein

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