Dynamics of Bulk vs. Nanoscale WS_2: Local Strain and Charging Effects

We measured the infrared vibrational properties of bulk and nanoparticle WS$_2$ in order to investigate the structure-property relations in these novel materials. In addition to the symmetry-breaking effects of local strain, nanoparticle curvature modifies the local charging environment of the bulk material. Performing a charge analysis on the \emph{xy}-polarized E$_{1u}$ vibrational mode, we find an approximate 1.5:1 intralayer charge difference between the layered 2H material and inorganic fullerene-like (IF) nanoparticles. This effective charge difference may impact the solid-state lubrication properties of nanoscale metal dichalcogenides.Comment: 6 pages, 5 figure

An assessment framework for REDD+ benefit sharing mechanisms within a forest policy mix

Policy instruments for implementing the Reducing Emissions from Deforestation and Forest Degradation and the enhancement of forest carbon stocks (REDD+) mechanism operate within an orchestra of national contexts and policy mixes that affect the forest and other land sectors. How will policymakers choose between the myriad of options for distributing REDD+ benefits, and be able to evaluate its potential effectiveness, efficiency and equity (3Es) within the various institutional and governance structures a where such a REDD+ benefit sharing mechanism is situated? This is a pressing issue given the results- based aspect of REDD+. We present here a three-element assessment framework for evaluating outcomes and performance of REDD+ benefit sharing mechanisms, using the criteria of effectiveness, efficiency and equity: (1) the structures (objective and policies) of a REDD+ benefit sharing mechanism; (2) the broader institutional and policy contexts underlying forest governance; and (3) outcomes of REDD+ including emissions reductions, ecosystem service provision and poverty alleviation. A strength of the assessment framework is its flexible design to incorporate indicators relevant to different contexts; this helps to generate a shared working understanding of what is to be evaluated in the different REDD+ benefit sharing mechanisms (BSMs) across complex socio- political contexts. In applying the framework to case studies, the assessment highlights trade-offs among the 3Es, and the need to better manage access to information, monitoring and evaluation, consideration of local perceptions of equity and inclusive decision-making processes. The framework aims not to simplify complexity but rather, serves to identify actionable ways forward towards a more efficient, effective and equitable implementation and re- evaluation of REDD+ BSMs as part of reflexive policymaking

Independent beta-arrestin 2 and G protein-mediated pathways for angiotensin II activation of extracellular signal-regulated kinases 1 and 2.

Stimulation of a mutant angiotensin type 1A receptor (DRY/AAY) with angiotensin II (Ang II) or of a wild-type receptor with an Ang II analog ([sarcosine1,Ile4,Ile8]Ang II) fails to activate classical heterotrimeric G protein signaling but does lead to recruitment of beta-arrestin 2-GFP and activation of extracellular signal-regulated kinases 1 and 2 (ERK1/2) (maximum stimulation approximately 50% of wild type). This G protein-independent activation of mitogen-activated protein kinase is abolished by depletion of cellular beta-arrestin 2 but is unaffected by the PKC inhibitor Ro-31-8425. In parallel, stimulation of the wild-type angiotensin type 1A receptor with Ang II robustly stimulates ERK1/2 activation with approximately 60% of the response blocked by the PKC inhibitor (G protein dependent) and the rest of the response blocked by depletion of cellular beta-arrestin 2 by small interfering RNA (beta-arrestin dependent). These findings imply the existence of independent G protein- and beta-arrestin 2-mediated pathways leading to ERK1/2 activation and the existence of distinct "active" conformations of a seven-membrane-spanning receptor coupled to each

Observations and modeling of a hydrothermal plume in Yellowstone Lake

Author Posting. © American Geophysical Union, 20XX. This article is posted here by permission of American Geophysical Union for personal use, not for redistribution. The definitive version was published in Geophysical Research Letters 46(12), (2019): 6435-6442, doi:10.1029/2019GL082523.Acoustic Doppler current profiler and conductivity‐temperature‐depth data acquired in Yellowstone Lake reveal the presence of a buoyant plume above the “Deep Hole” hydrothermal system, located southeast of Stevenson Island. Distributed venting in the ~200 × 200‐m hydrothermal field creates a plume with vertical velocities of ~10 cm/s in the mid‐water column. Salinity profiles indicate that during the period of strong summer stratification the plume rises to a neutral buoyancy horizon at ~45‐m depth, corresponding to a ~70‐m rise height, where it generates an anomaly of ~5% (−0.0014 psu) relative to background lake water. We simulate the plume with a numerical model and find that a heat flux of 28 MW reproduces the salinity and vertical velocity observations, corresponding to a mass flux of 1.4 × 103 kg/s. When observational uncertainties are considered, the heat flux could range between 20 to 50 MW.The authors thank Yellowstone National Park Fisheries and Aquatic Sciences, The Global Foundation for Ocean Exploration, and Paul Fucile for logistical support. This research was supported by the National Science Foundation grants EAR‐1516361 to R. S., EAR‐1514865 to K. L., and EAR‐1515283 to R. H. and J. F. All work in Yellowstone National Park was completed under an authorized Yellowstone research permit (YELL‐2018‐SCI‐7018). CTD and ADCP profiles reported in this paper are available through the Marine Geoscience Data System (doi:10.1594/IEDA/324713 and doi:10.1594/IEDA/324712, accessed last on 17 April 2019, respectively).2019-11-0

Development of an On-Line Coal Washability Analyzer

Washability analysis is the basis for nearly all coal preparation plant separations. Unfortunately, there are no on-line techniques for determining this most fundamental of all coal cleaning information. In light of recent successes at the University of Utah, it now appears possible to determine coal washability on-line through the use of x-ray computed tomography (CT) analysis. The successful development of such a device is critical to the establishment of process control and automated coal blending systems. In this regard, Virginia Tech, Terra Tek Inc., and Cyprus-Amax Coal Company have joined with the University of Utah and agreed to undertake the development of a x-ray CT-based on-line coal washability analyzer with financial assistance from DOE. The three-year project will cost $594,571, of which 33$194,575) will be cost-shared by the participants. The project will involve development of appropriate software and extensive testing/evaluation of well-characterized coal samples from three coal preparation plants. Each project participant brings special expertise to the project which is expected to create a new dimension in coal cleaning technology. Finally, it should be noted that the analyzer may prove to be a universal analyzer capable of providing not only washability analysis, but also particle size distribution analysis, ash analysis and perhaps pyritic sulfur analysis

Self-cleaning and colour-preserving efficiency of photocatalytic concrete: case study of the Jubilee Church in Rome

The Jubilee Church in the south-eastern outskirts of Rome is one of the first buildings constructed with super white reinforced concrete with self-cleaning photocatalytic cement. However, 16 years after the opening of the building, the self-cleaning and colour-preserving properties arising from the titania particles (TiO2) within the concrete mix are not meeting the design requirements and the concrete is showing premature evidence of decay. While the form of the decay is affecting the appearance of the building and not its structural soundness, the ageing pattern of the building's components is resulting in a high maintenance cost, one not easily affordable within the ordinary budget supported by a small parish. This study comprises the first comprehensive step in understanding the causes of the accelerated ageing pattern of the concrete, highlighting methods to improve the long-term durability of the concrete and therefore reduce the cost of its maintenance. Moreover, this research offered the opportunity to test the durability and the effectiveness of the TiO2 in the real conditions on an actual building featuring non-standard geometries. The findings highlight how the ageing pattern directly connects with the geometry of the building and inadequate consideration of the local weathering at the design stage

Role of the nonperturbative input in QCD resummed Drell-Yan QTQ_T-distributions

We analyze the role of the nonperturbative input in the Collins, Soper, and Sterman (CSS)'s $b$-space QCD resummation formalism for Drell-Yan transverse momentum ($Q_T$) distributions, and investigate the predictive power of the CSS formalism. We find that the predictive power of the CSS formalism has a strong dependence on the collision energy $\sqrt{S}$ in addition to its well-known $Q^2$ dependence, and the $\sqrt{S}$ dependence improves the predictive power at collider energies. We show that a reliable extrapolation from perturbatively resummed $b$-space distributions to the nonperturbative large $b$ region is necessary to ensure the correct $Q_T$ distributions. By adding power corrections to the renormalization group equations in the CSS formalism, we derive a new extrapolation formalism. We demonstrate that at collider energies, the CSS resummation formalism plus our extrapolation has an excellent predictive power for $W$ and $Z$ production at all transverse momenta $Q_T\le Q$. We also show that the $b$-space resummed $Q_T$ distributions provide a good description of Drell-Yan data at fixed target energies.Comment: Latex, 43 pages including 15 figures; typos were correcte

Computational Modeling for the Activation Cycle of G-proteins by G-protein-coupled Receptors

In this paper, we survey five different computational modeling methods. For comparison, we use the activation cycle of G-proteins that regulate cellular signaling events downstream of G-protein-coupled receptors (GPCRs) as a driving example. Starting from an existing Ordinary Differential Equations (ODEs) model, we implement the G-protein cycle in the stochastic Pi-calculus using SPiM, as Petri-nets using Cell Illustrator, in the Kappa Language using Cellucidate, and in Bio-PEPA using the Bio-PEPA eclipse plug in. We also provide a high-level notation to abstract away from communication primitives that may be unfamiliar to the average biologist, and we show how to translate high-level programs into stochastic Pi-calculus processes and chemical reactions.Comment: In Proceedings MeCBIC 2010, arXiv:1011.005

Differences in the signaling pathways of α1A- and α1B-adrenoceptors are related to different endosomal targeting

Aims: To compare the constitutive and agonist-dependent endosomal trafficking of α1A- and α1B-adrenoceptors (ARs) and to establish if the internalization pattern determines the signaling pathways of each subtype. Methods: Using CypHer5 technology and VSV-G epitope tagged α1A- and α1B-ARs stably and transiently expressed in HEK 293 cells, we analyzed by confocal microscopy the constitutive and agonist-induced internalization of each subtype, and the temporal relationship between agonist induced internalization and the increase in intracellular calcium (determined by FLUO-3 flouorescence), or the phosphorylation of ERK1/2 and p38 MAP kinases (determined by Western blot). Results and Conclusions: Constitutive as well as agonist-induced trafficking of α1A and α1B ARs maintain two different endosomal pools of receptors: one located close to the plasma membrane and the other deeper into the cytosol. Each subtype exhibited specific characteristics of internalization and distribution between these pools that determines their signaling pathways: α1A-ARs, when located in the plasma membrane, signal through calcium and ERK1/2 pathways but, when translocated to deeper endosomes, through a mechanism sensitive to β-arrestin and concanavalin A, continue signaling through ERK1/2 and also activate the p38 pathway. α1B-ARs signal through calcium and ERK1/2 only when located in the membrane and the signals disappear after endocytosis and by disruption of the membrane lipid rafts by methyl-β-cyclodextrin

Identifying Ligand Binding Conformations of the β2-Adrenergic Receptor by Using Its Agonists as Computational Probes

Recently available G-protein coupled receptor (GPCR) structures and biophysical studies suggest that the difference between the effects of various agonists and antagonists cannot be explained by single structures alone, but rather that the conformational ensembles of the proteins need to be considered. Here we use an elastic network model-guided molecular dynamics simulation protocol to generate an ensemble of conformers of a prototypical GPCR, β2-adrenergic receptor (β2AR). The resulting conformers are clustered into groups based on the conformations of the ligand binding site, and distinct conformers from each group are assessed for their binding to known agonists of β2AR. We show that the select ligands bind preferentially to different predicted conformers of β2AR, and identify a role of β2AR extracellular region as an allosteric binding site for larger drugs such as salmeterol. Thus, drugs and ligands can be used as "computational probes" to systematically identify protein conformers with likely biological significance. © 2012 Isin et al