Stability boundaries for command augmentation systems

NASA Technical Reports Server (NTRS)

Shrivastava, P. C.

1987-01-01

The Stability Augmentation System (SAS) is a special case of the Command Augmentation System (CAS). Control saturation imposes bounds on achievable commands. The state equilibrium depends only on the open loop dynamics and control deflection. The control magnitude to achieve a desired command equilibrium is independent of the feedback gain. A feedback controller provides the desired response, maintains the system equilibrium under disturbances, but it does not affect the equilibrium values of states and control. The saturation boundaries change with commands, but the location of the equilibrium points in the saturated region remains unchanged. Nonzero command vectors yield saturation boundaries that are asymmetric with respect to the state equilibrium. Except for the saddle point case with MCE control law, the stability boundaries change with commands. For the cases of saddle point and unstable nodes, the region of stability decreases with increasing command magnitudes.

An equation-free approach to agent-based computation: Bifurcation analysis and control of stationary states

NASA Astrophysics Data System (ADS)

Siettos, C. I.; Gear, C. W.; Kevrekidis, I. G.

2012-08-01

We show how the equation-free approach can be exploited to enable agent-based simulators to perform system-level computations such as bifurcation, stability analysis and controller design. We illustrate these tasks through an event-driven agent-based model describing the dynamic behaviour of many interacting investors in the presence of mimesis. Using short bursts of appropriately initialized runs of the detailed, agent-based simulator, we construct the coarse-grained bifurcation diagram of the (expected) density of agents and investigate the stability of its multiple solution branches. When the mimetic coupling between agents becomes strong enough, the stable stationary state loses its stability at a coarse turning point bifurcation. We also demonstrate how the framework can be used to design a wash-out dynamic controller that stabilizes open-loop unstable stationary states even under model uncertainty.

Electrostatic Interactions at the Dimer Interface Stabilize the E. coli β Sliding Clamp.

PubMed

Purohit, Anirban; England, Jennifer K; Douma, Lauren G; Tondnevis, Farzaneh; Bloom, Linda B; Levitus, Marcia

2017-08-22

Sliding clamps are ring-shaped oligomeric proteins that encircle DNA and associate with DNA polymerases for processive DNA replication. The dimeric Escherichia coli β-clamp is closed in solution but must adopt an open conformation to be assembled onto DNA by a clamp loader. To determine what factors contribute to the stability of the dimer interfaces in the closed conformation and how clamp dynamics contribute to formation of the open conformation, we identified conditions that destabilized the dimer and measured the effects of these conditions on clamp dynamics. We characterized the role of electrostatic interactions in stabilizing the β-clamp interface. Increasing salt concentration results in decreased dimer stability and faster subunit dissociation kinetics. The equilibrium dissociation constant of the dimeric clamp varies with salt concentration as predicted by simple charge-screening models, indicating that charged amino acids contribute to the remarkable stability of the interface at physiological salt concentrations. Mutation of a charged residue at the interface (Arg-103) weakens the interface significantly, whereas effects are negligible when a hydrophilic (Ser-109) or a hydrophobic (Ile-305) amino acid is mutated instead. It has been suggested that clamp opening by the clamp loader takes advantage of spontaneous opening-closing fluctuations at the clamp's interface, but our time-resolved fluorescence and fluorescence correlation experiments rule out conformational fluctuations that lead to a significant fraction of open states. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Imaging metal-like monoclinic phase stabilized by surface coordination effect in vanadium dioxide nanobeam

PubMed Central

Li, Zejun; Wu, Jiajing; Hu, Zhenpeng; Lin, Yue; Chen, Qi; Guo, Yuqiao; Liu, Yuhua; Zhao, Yingcheng; Peng, Jing; Chu, Wangsheng; Wu, Changzheng; Xie, Yi

2017-01-01

In correlated systems, intermediate states usually appear transiently across phase transitions even at the femtosecond scale. It therefore remains an open question how to determine these intermediate states—a critical issue for understanding the origin of their correlated behaviour. Here we report a surface coordination route to successfully stabilize and directly image an intermediate state in the metal-insulator transition of vanadium dioxide. As a prototype metal-insulator transition material, we capture an unusual metal-like monoclinic phase at room temperature that has long been predicted. Coordinate bonding of L-ascorbic acid molecules with vanadium dioxide nanobeams induces charge-carrier density reorganization and stabilizes metallic monoclinic vanadium dioxide, unravelling orbital-selective Mott correlation for gap opening of the vanadium dioxide metal–insulator transition. Our study contributes to completing phase-evolution pathways in the metal-insulator transition process, and we anticipate that coordination chemistry may be a powerful tool for engineering properties of low-dimensional correlated solids. PMID:28613281

Conformational states of the full-length glucagon receptor

PubMed Central

Yang, Linlin; Yang, Dehua; de Graaf, Chris; Moeller, Arne; West, Graham M.; Dharmarajan, Venkatasubramanian; Wang, Chong; Siu, Fai Y.; Song, Gaojie; Reedtz-Runge, Steffen; Pascal, Bruce D.; Wu, Beili; Potter, Clinton S.; Zhou, Hu; Griffin, Patrick R.; Carragher, Bridget; Yang, Huaiyu; Wang, Ming-Wei; Stevens, Raymond C.; Jiang, Hualiang

2015-01-01

Class B G protein-coupled receptors are composed of an extracellular domain (ECD) and a seven-transmembrane (7TM) domain, and their signalling is regulated by peptide hormones. Using a hybrid structural biology approach together with the ECD and 7TM domain crystal structures of the glucagon receptor (GCGR), we examine the relationship between full-length receptor conformation and peptide ligand binding. Molecular dynamics (MD) and disulfide crosslinking studies suggest that apo-GCGR can adopt both an open and closed conformation associated with extensive contacts between the ECD and 7TM domain. The electron microscopy (EM) map of the full-length GCGR shows how a monoclonal antibody stabilizes the ECD and 7TM domain in an elongated conformation. Hydrogen/deuterium exchange (HDX) studies and MD simulations indicate that an open conformation is also stabilized by peptide ligand binding. The combined studies reveal the open/closed states of GCGR and suggest that glucagon binds to GCGR by a conformational selection mechanism. PMID:26227798

Manipulation of double-stranded DNA melting by force

NASA Astrophysics Data System (ADS)

Singh, Amit Raj; Granek, Rony

2017-09-01

By integrating elasticity—as described by the Gaussian network model—with bond binding energies that distinguish between different base-pair identities and stacking configurations, we study the force induced melting of a double-stranded DNA (dsDNA). Our approach is a generalization of our previous study of thermal dsDNA denaturation [J. Chem. Phys. 145, 144101 (2016), 10.1063/1.4964285] to that induced by force at finite temperatures. It allows us to obtain semimicroscopic information about the opening of the chain, such as whether the dsDNA opens from one of the ends or from the interior, forming an internal bubble. We study different types of force manipulation: (i) "end unzipping," with force acting at a single end base pair perpendicular to the helix, (ii) "midunzipping," with force acting at a middle base pair perpendicular to the helix, and (iii) "end shearing," where the force acts at opposite ends along the helix. By monitoring the free-energy landscape and probability distribution of intermediate denaturation states, we show that different dominant intermediate states are stabilized depending on the type of force manipulation used. In particular, the bubble state of the sequence L60B36, which we have previously found to be a stable state during thermal denaturation, is absent for end unzipping and end shearing, whereas very similar bubbles are stabilized by midunzipping, or when the force location is near the middle of the chain. Ours results offer a simple tool for stabilizing bubbles and loops using force manipulations at different temperatures, and may implicate on the mechanism in which DNA enzymes or motors open regions of the chain.

Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational study

NASA Astrophysics Data System (ADS)

Kouza, Maksim; Co, Nguyen Truong; Li, Mai Suan; Kmiecik, Sebastian; Kolinski, Andrzej; Kloczkowski, Andrzej; Buhimschi, Irina Alexandra

2018-06-01

Fibril formation resulting from protein misfolding and aggregation is a hallmark of several neurodegenerative diseases such as Alzheimer's and Parkinson's diseases. Despite much progress in the understanding of the protein aggregation process, the factors governing fibril formation rates and fibril stability have not been fully understood. Using lattice models, we have shown that the fibril formation time is controlled by the kinetic stability of the fibril state but not by its energy. Having performed all-atom explicit solvent molecular dynamics simulations with the GROMOS43a1 force field for full-length amyloid beta peptides Aβ40 and Aβ42 and truncated peptides, we demonstrated that kinetic stability can be accessed via mechanical stability in such a way that the higher the mechanical stability or the kinetic stability, the faster the fibril formation. This result opens up a new way for predicting fibril formation rates based on mechanical stability that may be easily estimated by steered molecular dynamics.

Conditions for Stabilizability of Linear Switched Systems

NASA Astrophysics Data System (ADS)

Minh, Vu Trieu

2011-06-01

This paper investigates some conditions that can provide stabilizability for linear switched systems with polytopic uncertainties via their closed loop linear quadratic state feedback regulator. The closed loop switched systems can stabilize unstable open loop systems or stable open loop systems but in which there is no solution for a common Lyapunov matrix. For continuous time switched linear systems, we show that if there exists solution in an associated Riccati equation for the closed loop systems sharing one common Lyapunov matrix, the switched linear systems are stable. For the discrete time switched systems, we derive a Linear Matrix Inequality (LMI) to calculate a common Lyapunov matrix and solution for the stable closed loop feedback systems. These closed loop linear quadratic state feedback regulators guarantee the global asymptotical stability for any switched linear systems with any switching signal sequence.

Inter-subunit interactions across the upper voltage sensing-pore domain interface contribute to the concerted pore opening transition of Kv channels.

PubMed

Shem-Ad, Tzilhav; Irit, Orr; Yifrach, Ofer

2013-01-01

The tight electro-mechanical coupling between the voltage-sensing and pore domains of Kv channels lies at the heart of their fundamental roles in electrical signaling. Structural data have identified two voltage sensor pore inter-domain interaction surfaces, thus providing a framework to explain the molecular basis for the tight coupling of these domains. While the contribution of the intra-subunit lower domain interface to the electro-mechanical coupling that underlies channel opening is relatively well understood, the contribution of the inter-subunit upper interface to channel gating is not yet clear. Relying on energy perturbation and thermodynamic coupling analyses of tandem-dimeric Shaker Kv channels, we show that mutation of upper interface residues from both sides of the voltage sensor-pore domain interface stabilizes the closed channel state. These mutations, however, do not affect slow inactivation gating. We, moreover, find that upper interface residues form a network of state-dependent interactions that stabilize the open channel state. Finally, we note that the observed residue interaction network does not change during slow inactivation gating. The upper voltage sensing-pore interaction surface thus only undergoes conformational rearrangements during channel activation gating. We suggest that inter-subunit interactions across the upper domain interface mediate allosteric communication between channel subunits that contributes to the concerted nature of the late pore opening transition of Kv channels.

Stabilizing detached Bridgman melt crystal growth: Proportional-integral feedback control

NASA Astrophysics Data System (ADS)

Yeckel, Andrew; Daoutidis, Prodromos; Derby, Jeffrey J.

2012-10-01

The dynamics, operability limits, and tuning of a proportional-integral feedback controller to stabilize detached vertical Bridgman crystal growth are analyzed using a capillary model of shape stability. The manipulated variable is the pressure difference between upper and lower vapor spaces, and the controlled variable is the gap width at the triple-phase line. Open and closed loop dynamics of step changes in these state variables are analyzed under both shape stable and shape unstable growth conditions. Effects of step changes in static contact angle and growth angle are also studied. Proportional and proportional-integral control can stabilize unstable growth, but only within tight operability limits imposed by the narrow range of allowed meniscus shapes. These limits are used to establish safe operating ranges of controller gain. Strong nonlinearity of the capillary model restricts the range of perturbations that can be stabilized, and under some circumstances, stabilizes a spurious operating state far from the set point. Stabilizing detachment at low growth angle proves difficult and becomes impossible at zero growth angle.

[Vegetation spatial and temporal dynamic characteristics based on NDVI time series trajectories in grassland opencast coal mining].

PubMed

Jia, Duo; Wang, Cang Jiao; Mu, Shou Guo; Zhao, Hua

2017-06-18

The spatiotemporal dynamic patterns of vegetation in mining area are still unclear. This study utilized time series trajectory segmentation algorithm to fit Landsat NDVI time series which generated from fusion images at the most prosperous period of growth based on ESTARFM algorithm. Combining with the shape features of the fitted trajectory, this paper extracted five vegetation dynamic patterns including pre-disturbance type, continuous disturbance type, stabilization after disturbance type, stabilization between disturbance and recovery type, and recovery after disturbance type. The result indicated that recovery after disturbance type was the dominant vegetation change pattern among the five types of vegetation dynamic pattern, which accounted for 55.2% of the total number of pixels. The follows were stabilization after disturbance type and continuous disturbance type, accounting for 25.6% and 11.0%, respectively. The pre-disturbance type and stabilization between disturbance and recovery type accounted for 3.5% and 4.7%, respectively. Vegetation disturbance mainly occurred from 2004 to 2009 in Shengli mining area. The onset time of stable state was 2008 and the spatial locations mainlydistributed in open-pit stope and waste dump. The reco-very state mainly started since the year of 2008 and 2010, while the areas were small and mainly distributed at the periphery of open-pit stope and waste dump. Duration of disturbance was mainly 1 year. The duration of stable period usually sustained 7 years. The duration of recovery state of the type of stabilization between disturbances continued 2 to 5 years, while the type of recovery after disturbance often sustained 8 years.

A survey of the role of thermodynamic stability in viscous flow

NASA Technical Reports Server (NTRS)

Horne, W. C.; Smith, C. A.; Karamcheti, K.

1991-01-01

The stability of near-equilibrium states has been studied as a branch of the general field of nonequilibrium thermodynamics. By treating steady viscous flow as an open thermodynamic system, nonequilibrium principles such as the condition of minimum entropy-production rate for steady, near-equilibrium processes can be used to generate flow distributions from variational analyses. Examples considered in this paper are steady heat conduction, channel flow, and unconstrained three-dimensional flow. The entropy-production-rate condition has also been used for hydrodynamic stability criteria, and calculations of the stability of a laminar wall jet support this interpretation.

C-Terminal β9-Strand of the Cyclic Nucleotide-Binding Homology Domain Stabilizes Activated States of Kv11.1 Channels

PubMed Central

Ng, Chai Ann; Ke, Ying; Perry, Matthew D.; Tan, Peter S.; Hill, Adam P.; Vandenberg, Jamie I.

2013-01-01

Kv11.1 potassium channels are important for regulation of the normal rhythm of the heartbeat. Reduced activity of Kv11.1 channels causes long QT syndrome type 2, a disorder that increases the risk of cardiac arrhythmias and sudden cardiac arrest. Kv11.1 channels are members of the KCNH subfamily of voltage-gated K+ channels. However, they also share many similarities with the cyclic nucleotide gated ion channel family, including having a cyclic nucleotide-binding homology (cNBH) domain. Kv11.1 channels, however, are not directly regulated by cyclic nucleotides. Recently, crystal structures of the cNBH domain from mEAG and zELK channels, both members of the KCNH family of voltage-gated potassium channels, revealed that a C-terminal β9-strand in the cNBH domain occupied the putative cyclic nucleotide-binding site thereby precluding binding of cyclic nucleotides. Here we show that mutations to residues in the β9-strand affect the stability of the open state relative to the closed state of Kv11.1 channels. We also show that disrupting the structure of the β9-strand reduces the stability of the inactivated state relative to the open state. Clinical mutations located in this β9-strand result in reduced trafficking efficiency, which suggests that binding of the C-terminal β9-strand to the putative cyclic nucleotide-binding pocket is also important for assembly and trafficking of Kv11.1 channels. PMID:24204727

Conformational heterogeneity in closed and open states of the KcsA potassium channel in lipid bicelles

PubMed Central

Kim, Dorothy M.; Dikiy, Igor; Upadhyay, Vikrant; Posson, David J.

2016-01-01

The process of ion channel gating—opening and closing—involves local and global structural changes in the channel in response to external stimuli. Conformational changes depend on the energetic landscape that underlies the transition between closed and open states, which plays a key role in ion channel gating. For the prokaryotic, pH-gated potassium channel KcsA, closed and open states have been extensively studied using structural and functional methods, but the dynamics within each of these functional states as well as the transition between them is not as well understood. In this study, we used solution nuclear magnetic resonance (NMR) spectroscopy to investigate the conformational transitions within specific functional states of KcsA. We incorporated KcsA channels into lipid bicelles and stabilized them into a closed state by using either phosphatidylcholine lipids, known to favor the closed channel, or mutations designed to trap the channel shut by disulfide cross-linking. A distinct state, consistent with an open channel, was uncovered by the addition of cardiolipin lipids. Using selective amino acid labeling at locations within the channel that are known to move during gating, we observed at least two different slowly interconverting conformational states for both closed and open channels. The pH dependence of these conformations and the predictable disruptions to this dependence observed in mutant channels with altered pH sensing highlight the importance of conformational heterogeneity for KcsA gating. PMID:27432996

Closed-Loop Control of Vortex Formation in Separated Flows

NASA Technical Reports Server (NTRS)

Colonius, Tim; Joe, Won Tae; MacMynowski, Doug; Rowley, Clancy; Taira, Sam; Ahuja, Sunil

2010-01-01

In order to phase lock the flow at the desired shedding cycle, particularly at Phi,best, We designed a feedback compensator. (Even though the open-loop forcing at Wf below Wn can lead to phase-locked limit cycles with a high average lift,) This feedback controller resulted in the phase-locked limit cycles that the open-loop control could not achieve for alpha=30 and 40 Particularly for alpha=40, the feedback was able to stabilize the limit cycle that was not stable with any of the open-loop periodic forcing. This results in stable phase-locked limit cycles for a larger range of forcing frequencies than the open-loop control. Also, it was shown that the feedback achieved the high-lift unsteady flow states that open-loop control could not sustain even after the states have been achieved for a long period of time.

Stabilization of the Activated hERG Channel Voltage Sensor by Depolarization Involves the S4-S5 Linker.

PubMed

Thouta, Samrat; Hull, Christina M; Shi, Yu Patrick; Sergeev, Valentine; Young, James; Cheng, Yen M; Claydon, Thomas W

2017-01-24

Slow deactivation of hERG channels is critical for preventing cardiac arrhythmia yet the mechanistic basis for the slow gating transition is unclear. Here, we characterized the temporal sequence of events leading to voltage sensor stabilization upon membrane depolarization. Progressive increase in step depolarization duration slowed voltage-sensor return in a biphasic manner (τ fast = 34 ms, τ slow  = 2.5 s). The faster phase of voltage-sensor return slowing correlated with the kinetics of pore opening. The slower component occurred over durations that exceeded channel activation and was consistent with voltage sensor relaxation. The S4-S5 linker mutation, G546L, impeded the faster phase of voltage sensor stabilization without attenuating the slower phase, suggesting that the S4-S5 linker is important for communications between the pore gate and the voltage sensor during deactivation. These data also demonstrate that the mechanisms of pore gate-opening-induced and relaxation-induced voltage-sensor stabilization are separable. Deletion of the distal N-terminus (Δ2-135) accelerated off-gating current, but did not influence the relative contribution of either mechanism of stabilization of the voltage sensor. Lastly, we characterized mode-shift behavior in hERG channels, which results from stabilization of activated channel states. The apparent mode-shift depended greatly on recording conditions. By measuring slow activation and deactivation at steady state we found the "true" mode-shift to be ∼15 mV. Interestingly, the "true" mode-shift of gating currents was ∼40 mV, much greater than that of the pore gate. This demonstrates that voltage sensor return is less energetically favorable upon repolarization than pore gate closure. We interpret this to indicate that stabilization of the activated voltage sensor limits the return of hERG channels to rest. The data suggest that this stabilization occurs as a result of reconfiguration of the pore gate upon opening by a mechanism that is influenced by the S4-S5 linker, and by a separable voltage-sensor intrinsic relaxation mechanism. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Patient Protection and Affordable Care Act; Market Stabilization. Final rule.

PubMed

2017-04-18

This rule finalizes changes that will help stabilize the individual and small group markets and affirm the traditional role of State regulators. This final rule amends standards relating to special enrollment periods, guaranteed availability, and the timing of the annual open enrollment period in the individual market for the 2018 plan year; standards related to network adequacy and essential community providers for qualified health plans; and the rules around actuarial value requirements.

Modulation of the Conformational Dynamics of Apo-Adenylate Kinase through a π-Cation Interaction.

PubMed

Halder, Ritaban; Manna, Rabindra Nath; Chakraborty, Sandipan; Jana, Biman

2017-06-15

Large-scale conformational transition from open to closed state of adenylate kinase (ADK) is essential for its catalytic cycle. Apo-ADK undergoes conformational transition in a way that closely resembles an open-to-closed conformational transition. Here, equilibrium simulations, free-energy simulations, and quantum mechanics/molecular mechanics (QM/MM) calculations in combination with several bioinformatics approaches have been used to explore the molecular origin of this conformational transition in apo-ADK. In addition to its conventional open state, Escherichia coli apo-ADK adopts conformations that resemble a closed-like intermediate, the "half-open-half-closed" (HOHC) state, and a π-cation interaction can account for the stability of this HOHC state. Energetics and the electronic properties of this π-cation interaction have been explored using QM/MM calculations. Upon rescinding the π-cation interaction, the conformational landscape of the apo-ADK changes completely. The apo-ADK population is shifted completely toward the open state. This π-cation interaction is highly conserved in bacterial ADK; the cationic guanidinium moiety of a conserved ARG interacts with the delocalized π-electron cloud of either PHE or TYR. Interestingly, this study demonstrates the modulation of a principal protein dynamics by a conserved specific π-cation interaction across different organisms.

Robust Stabilization Control Based on Guardian Maps Theory for a Longitudinal Model of Hypersonic Vehicle

PubMed Central

Liu, Mengying; Sun, Peihua

2014-01-01

A typical model of hypersonic vehicle has the complicated dynamics such as the unstable states, the nonminimum phases, and the strong coupling input-output relations. As a result, designing a robust stabilization controller is essential to implement the anticipated tasks. This paper presents a robust stabilization controller based on the guardian maps theory for hypersonic vehicle. First, the guardian maps theories are provided to explain the constraint relations between the open subsets of complex plane and the eigenvalues of the state matrix of closed-loop control system. Then, a general control structure in relation to the guardian maps theories is proposed to achieve the respected design demands. Furthermore, the robust stabilization control law depending on the given general control structure is designed for the longitudinal model of hypersonic vehicle. Finally, a simulation example is provided to verify the effectiveness of the proposed methods. PMID:24795535

Robust stabilization control based on guardian maps theory for a longitudinal model of hypersonic vehicle.

PubMed

Liu, Yanbin; Liu, Mengying; Sun, Peihua

2014-01-01

A typical model of hypersonic vehicle has the complicated dynamics such as the unstable states, the nonminimum phases, and the strong coupling input-output relations. As a result, designing a robust stabilization controller is essential to implement the anticipated tasks. This paper presents a robust stabilization controller based on the guardian maps theory for hypersonic vehicle. First, the guardian maps theories are provided to explain the constraint relations between the open subsets of complex plane and the eigenvalues of the state matrix of closed-loop control system. Then, a general control structure in relation to the guardian maps theories is proposed to achieve the respected design demands. Furthermore, the robust stabilization control law depending on the given general control structure is designed for the longitudinal model of hypersonic vehicle. Finally, a simulation example is provided to verify the effectiveness of the proposed methods.

Hydrophobically stabilized open state for the lateral gate of the Sec translocon

PubMed Central

Zhang, Bin; Miller, Thomas F.

2010-01-01

The Sec translocon is a central component of cellular pathways for protein translocation and membrane integration. Using both atomistic and coarse-grained molecular simulations, we investigate the conformational landscape of the translocon and explore the role of peptide substrates in the regulation of the translocation and integration pathways. Inclusion of a hydrophobic peptide substrate in the translocon stabilizes the opening of the lateral gate for membrane integration, whereas a hydrophilic peptide substrate favors the closed lateral gate conformation. The relative orientation of the plug moiety and a peptide substrate within the translocon channel is similarly dependent on whether the substrate is hydrophobic or hydrophilic in character, and the energetics of the translocon lateral gate opening in the presence of a peptide substrate is governed by the energetics of the peptide interface with the membrane. Implications of these results for the regulation of Sec-mediated pathways for protein translocation vs. membrane integration are discussed. PMID:20203009

Design of Simulation Product for Stability of Electric Power System Using Power System Stabilizer and Optimal Control

NASA Astrophysics Data System (ADS)

Junaidi, Agus; Hamid, K. Abdul

2018-03-01

This paper will discuss the use of optimal control and Power System Stabilizer (PSS) in improving the oscillation of electric power system. Oscillations in the electric power system can occur due to the sudden release of the load (Switcing-Off). The oscillation of an unstable system for a long time causes the equipment to work in an interruption. To overcome this problem, a control device is required that can work effectively in repairing the oscillation. The power system is modeled from the Single Machine Infinite Bus Model (SMIB). The state space equation is used to mathematically model SMIB. SMIB system which is a plant will be formed togetherness state variables (State-Space), using riccati equation then determined the optimal gain as controller plant. Plant is also controlled by Power Stabilizer System using phase compensation method. Using Matlab Software based simulation will be observed response of rotor speed change and rotor angle change for each of the two controlling methods. Simulation results using the Simulink-MATLAB 6.1 software will compare the analysis of the plant state in Open loop state and use the controller. The simulation response shows that the optimal control and PSS can improve the stability of the power system in terms of acceleration to achieve settling-time and Over Shoot improvement. From the results of both methods are able to improve system performance.

Molecular and kinetic determinants of local anaesthetic action on sodium channels.

PubMed

French, R J; Zamponi, G W; Sierralta, I E

1998-11-23

(1) Local anaesthetics (LA) rely for their clinical actions on state-dependent inhibition of voltage-dependent sodium channels. (2) Single, batrachoxin-modified sodium channels in planar lipid bilayers allow direct observation of drug-channel interactions. Two modes of inhibition of single-channel current are observed: fast block of the open channels and prolongation of a long-lived closed state, some of whose properties resemble those of the inactivated state of unmodified channels. (3) Analogues of different parts of the LA molecule separately mimic each blocking mode: amines--fast block, and water-soluble aromatics--closed state prolongation. (4) Interaction between a mu-conotoxin derivative and diethylammonium indicate an intrapore site of fast, open-state block. (5) Site-directed mutagenesis studies suggest that hydrophobic residues in transmembrane segment 6 of repeat domain 4 of sodium channels are critical for both LA binding and stabilization of the inactivated state.

Modelling, design and stability analysis of an improved SEPIC converter for renewable energy systems

NASA Astrophysics Data System (ADS)

G, Dileep; Singh, S. N.; Singh, G. K.

2017-09-01

In this paper, a detailed modelling and analysis of a switched inductor (SI)-based improved single-ended primary inductor converter (SEPIC) has been presented. To increase the gain of conventional SEPIC converter, input and output side inductors are replaced with SI structures. Design and stability analysis for continuous conduction mode operation of the proposed SI-SEPIC converter has also been presented in this paper. State space averaging technique is used to model the converter and carry out the stability analysis. Performance and stability analysis of closed loop configuration is predicted by observing the open loop behaviour using Nyquist diagram and Nichols chart. System was found to stable and critically damped.

Bound states for magic state distillation in fault-tolerant quantum computation.

PubMed

Campbell, Earl T; Browne, Dan E

2010-01-22

Magic state distillation is an important primitive in fault-tolerant quantum computation. The magic states are pure nonstabilizer states which can be distilled from certain mixed nonstabilizer states via Clifford group operations alone. Because of the Gottesman-Knill theorem, mixtures of Pauli eigenstates are not expected to be magic state distillable, but it has been an open question whether all mixed states outside this set may be distilled. In this Letter we show that, when resources are finitely limited, nondistillable states exist outside the stabilizer octahedron. In analogy with the bound entangled states, which arise in entanglement theory, we call such states bound states for magic state distillation.

Effects of geometrical frustration on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice

NASA Astrophysics Data System (ADS)

Farkašovský, Pavol

2018-05-01

The small-cluster exact-diagonalization calculations and the projector quantum Monte Carlo method are used to examine the competing effects of geometrical frustration and interaction on ferromagnetism in the Hubbard model on the generalised Shastry-Sutherland lattice. It is shown that the geometrical frustration stabilizes the ferromagnetic state at high electron concentrations ( n ≳ 7/4), where strong correlations between ferromagnetism and the shape of the noninteracting density of states are observed. In particular, it is found that ferromagnetism is stabilized for these values of frustration parameters, which lead to the single-peaked noninterating density of states at the band edge. Once, two or more peaks appear in the noninteracting density of states at the band edge the ferromagnetic state is suppressed. This opens a new route towards the understanding of ferromagnetism in strongly correlated systems.

Gating kinetics of batrachotoxin-modified Na+ channels in the squid giant axon. Voltage and temperature effects.

PubMed Central

Correa, A M; Bezanilla, F; Latorre, R

1992-01-01

The gating kinetics of batrachotoxin-modified Na+ channels were studied in outside-out patches of axolemma from the squid giant axon by means of the cut-open axon technique. Single channel kinetics were characterized at different membrane voltages and temperatures. The probability of channel opening (Po) as a function of voltage was well described by a Boltzmann distribution with an equivalent number of gating particles of 3.58. The voltage at which the channel was open 50% of the time was a function of [Na+] and temperature. A decrease in the internal [Na+] induced a shift to the right of the Po vs. V curve, suggesting the presence of an integral negative fixed charge near the activation gate. An increase in temperature decreased Po, indicating a stabilization of the closed configuration of the channel and also a decrease in entropy upon channel opening. Probability density analysis of dwell times in the closed and open states of the channel at 0 degrees C revealed the presence of three closed and three open states. The slowest open kinetic component constituted only a small fraction of the total number of transitions and became negligible at voltages greater than -65 mV. Adjacent interval analysis showed that there is no correlation in the duration of successive open and closed events. Consistent with this analysis, maximum likelihood estimation of the rate constants for nine different single-channel models produced a preferred model (model 1) having a linear sequence of closed states and two open states emerging from the last closed state. The effect of temperature on the rate constants of model 1 was studied. An increase in temperature increased all rate constants; the shift in Po would be the result of an increase in the closing rates predominant over the change in the opening rates. The temperature study also provided the basis for building an energy diagram for the transitions between channel states. PMID:1318096

Addressing Interstate Ethnic Tensions In the Pacific Through Cooperative Sea Lane Strategy

DTIC Science & Technology

2015-04-01

political stability and secure, open Sea Lines of Communications (SLOCs) for continued economic development and therefore, the United States must deter conflict and reassure allies within a complex, geopolitical environment rife with ethnic mistrust and successfully welcome a rising but fragile, economic and military

Conformational states and recognition of amyloidogenic peptides of human insulin-degrading enzyme.

PubMed

McCord, Lauren A; Liang, Wenguang G; Dowdell, Evan; Kalas, Vasilios; Hoey, Robert J; Koide, Akiko; Koide, Shohei; Tang, Wei-Jen

2013-08-20

Insulin-degrading enzyme (IDE) selectively degrades the monomer of amyloidogenic peptides and contributes to clearance of amyloid β (Aβ). Thus, IDE retards the progression of Alzheimer's disease. IDE possesses an enclosed catalytic chamber that engulfs and degrades its peptide substrates; however, the molecular mechanism of IDE function, including substrate access to the chamber and recognition, remains elusive. Here, we captured a unique IDE conformation by using a synthetic antibody fragment as a crystallization chaperone. An unexpected displacement of a door subdomain creates an ~18-Å opening to the chamber. This swinging-door mechanism permits the entry of short peptides into the catalytic chamber and disrupts the catalytic site within IDE door subdomain. Given the propensity of amyloidogenic peptides to convert into β-strands for their polymerization into amyloid fibrils, they also use such β-strands to stabilize the disrupted catalytic site resided at IDE door subdomain for their degradation by IDE. Thus, action of the swinging door allows IDE to recognize amyloidogenicity by substrate-induced stabilization of the IDE catalytic cleft. Small angle X-ray scattering (SAXS) analysis revealed that IDE exists as a mixture of closed and open states. These open states, which are distinct from the swinging door state, permit entry of larger substrates (e.g., Aβ, insulin) to the chamber and are preferred in solution. Mutational studies confirmed the critical roles of the door subdomain and hinge loop joining the N- and C-terminal halves of IDE for catalysis. Together, our data provide insights into the conformational changes of IDE that govern the selective destruction of amyloidogenic peptides.

Electrified Flow in Slender V-Groove Microchannels: Generalized Stability of Steady State Configurations

NASA Astrophysics Data System (ADS)

Markeviciute, Vilda; White, Nicholas; Troian, Sandra

2017-11-01

Although spontaneous capillary flow can be an especially rapid process in slender open microchannels resembling V-grooves, enhanced flow control is possible through implementation of electric field distributions which generate opposing electrohydrodynamic pressures along the air/liquid interface to modulate the capillary pressures. Important fundamental work by Romero and Yost (1996) and Weislogel(1996) has elucidated the behavior of Newtonian films in slender V-grooves driven to flow solely by the streamwise change in capillary pressure due to the change in radius of curvature of the circular arc describing the interface of wetting or non-wetting fluids. Here we augment the Romero and Yost model with inclusion of Maxwell stresses for perfectly conducting wetting films and examine which electric field distributions allow formation of steady state film shapes for various inlet and outlet boundary conditions. We investigate the stability of these steady solutions to small perturbations in film thickness using a generalized stability analysis. These results reveal how the ratio of Maxwell to capillary stresses influences the degree of linearized transient growth or decay for thin films confined to flow within an open V-groove. Funding from the 2017 Caltech Summer Undergraduate Research Fellowship Program (Markeviciute) as well as a 2017 NASA Space Technology Research Fellowship (White) is gratefully acknowledged.

Vertically Oriented and Interpenetrating CuSe Nanosheet Films with Open Channels for Flexible All-Solid-State Supercapacitors

DOE PAGES

Li, Lingzhi; Gong, Jiangfeng; Liu, Chunyan; ...

2017-03-22

As a p-type multifunctional semiconductor, CuSe nanostructures show great promise in optoelectronic, sensing, and photocatalytic fields. Although great progress has been achieved, controllable synthesis of CuSe nanosheets (NSs) with a desirable spacial orientation and open frameworks remains a challenge, and their use in supercapacitors (SCs) has not been explored. Herein, a highly vertically oriented and interpenetrating CuSe NS film with open channels is deposited on an Au-coated polyethylene terephthalate substrate. Such CuSe NS films exhibit high specific capacitance (209 F g–1) and can be used as a carbon black- and binder-free electrode to construct flexible, symmetric all-solid-state SCs, using polyvinylmore » alcohol–LiCl gel as the solid electrolyte. A device fabricated with such CuSe NS films exhibits high volumetric specific capacitance (30.17 mF cm–3), good cycling stability, excellent flexibility, and desirable mechanical stability. The excellent performance of such devices results from the vertically oriented and interpenetrating configuration of CuSe NS building blocks, which can increase the available surface and facilitate the diffusion of electrolyte ions. Moreover, as a prototype for application, three such solid devices in series can be used to light up a red light-emitting diode.« less

Vertically Oriented and Interpenetrating CuSe Nanosheet Films with Open Channels for Flexible All-Solid-State Supercapacitors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Lingzhi; Gong, Jiangfeng; Liu, Chunyan

As a p-type multifunctional semiconductor, CuSe nanostructures show great promise in optoelectronic, sensing, and photocatalytic fields. Although great progress has been achieved, controllable synthesis of CuSe nanosheets (NSs) with a desirable spacial orientation and open frameworks remains a challenge, and their use in supercapacitors (SCs) has not been explored. Herein, a highly vertically oriented and interpenetrating CuSe NS film with open channels is deposited on an Au-coated polyethylene terephthalate substrate. Such CuSe NS films exhibit high specific capacitance (209 F g–1) and can be used as a carbon black- and binder-free electrode to construct flexible, symmetric all-solid-state SCs, using polyvinylmore » alcohol–LiCl gel as the solid electrolyte. A device fabricated with such CuSe NS films exhibits high volumetric specific capacitance (30.17 mF cm–3), good cycling stability, excellent flexibility, and desirable mechanical stability. The excellent performance of such devices results from the vertically oriented and interpenetrating configuration of CuSe NS building blocks, which can increase the available surface and facilitate the diffusion of electrolyte ions. Moreover, as a prototype for application, three such solid devices in series can be used to light up a red light-emitting diode.« less

Exploring Closed-Shell Cationic Phenalenyl: From Catalysis to Spin Electronics.

PubMed

Mukherjee, Arup; Sau, Samaresh Chandra; Mandal, Swadhin K

2017-07-18

The odd alternant hydrocarbon phenalenyl (PLY) can exist in three different forms, a closed-shell cation, an open-shell radical, and a closed-shell anion, using its nonbonding molecular orbital (NBMO). The chemistry of PLY-based molecules began more than five decades ago, and so far, the progress has mainly involved the open-shell neutral radical state. Over the last two decades, we have witnessed the evolution of a range of PLY-based radicals generating an array of multifunctional materials. However, it has been admitted that the practical applications of PLY radicals are greatly challenged by the low stability of the open-shell (radical) state. Recently, we took a different route to establish the utility of these PLY molecules using the closed-shell cationic state. In such a design, the closed-shell unit of PLY can readily accept free electrons, stabilizing in its NBMO upon generation of the open-shell state of the molecule. Thus, one can synthetically avoid the unstable open-shell state but still take advantage of this state by in situ generating the radical through external electron transfer or spin injection into the empty NBMO. It is worth noting that such approaches using closed-shell phenalenyl have been missing in the literature. This Account focuses on our recent developments using the closed-shell cationic state of the PLY molecule and its application in broad multidisciplinary areas spanning from catalysis to spin electronics. We describe how this concept has been utilized to develop a variety of homogeneous catalysts. For example, this concept was used in designing an iron(III) PLY-based electrocatalyst for a single-compartment H 2 O 2 fuel cell, which delivered the best electrocatalytic activity among previously reported iron complexes, organometallic catalysts for various homogeneous organic transformations (hydroamination and polymerization), an organic Lewis acid catalyst for the ring opening of epoxides, and transition-metal-free C-H functionalization catalysts. Moreover, this concept of using the empty NBMO present in the closed-shell cationic state of the PLY moiety to capture electron(s) was further extended to an entirely different area of spin electronics to design a PLY-based spin-memory device, which worked by a spin-filtration mechanism using an organozinc compound based on a PLY backbone deposited over a ferromagnetic substrate. In this Account, we summarize our recent efforts to understand how this unexplored closed-shell state of the phenalenyl molecule, which has been known for over five decades, can be utilized in devising an array of materials that not only are important from an organometallic chemistry or organic chemistry point of view but also provide new understanding for device physics.

Near-atomic resolution visualization of human transcription promoter opening

PubMed Central

He, Yuan; Yan, Chunli; Fang, Jie; Inouye, Carla; Tjian, Robert; Ivanov, Ivaylo; Nogales, Eva

2016-01-01

In eukaryotic transcription initiation, a large multi-subunit pre-initiation complex (PIC) that assembles at the core promoter is required for the opening of the duplex DNA and identification of the start site for transcription by RNA polymerase II. Here we use cryo-electron microscropy (cryo-EM) to determine near-atomic resolution structures of the human PIC in a closed state (engaged with duplex DNA), an open state (engaged with a transcription bubble), and an initially transcribing complex (containing six base pairs of DNA–RNA hybrid). Our studies provide structures for previously uncharacterized components of the PIC, such as TFIIE and TFIIH, and segments of TFIIA, TFIIB and TFIIF. Comparison of the different structures reveals the sequential conformational changes that accompany the transition from each state to the next throughout the transcription initiation process. This analysis illustrates the key role of TFIIB in transcription bubble stabilization and provides strong structural support for a translocase activity of XPB. PMID:27193682

Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives

NASA Technical Reports Server (NTRS)

Park, Michael A.; Green, Lawrence L.

2000-01-01

Dynamic stability derivatives are essential to predicting the open and closed loop performance, stability, and controllability of aircraft. Computational determination of constant-rate dynamic stability derivatives (derivatives of aircraft forces and moments with respect to constant rotational rates) is currently performed indirectly with finite differencing of multiple time-accurate computational fluid dynamics solutions. Typical time-accurate solutions require excessive amounts of computational time to complete. Formulating Navier-Stokes (N-S) equations in a rotating noninertial reference frame and applying an automatic differentiation tool to the modified code has the potential for directly computing these derivatives with a single, much faster steady-state calculation. The ability to rapidly determine static and dynamic stability derivatives by computational methods can benefit multidisciplinary design methodologies and reduce dependency on wind tunnel measurements. The CFL3D thin-layer N-S computational fluid dynamics code was modified for this study to allow calculations on complex three-dimensional configurations with constant rotation rate components in all three axes. These CFL3D modifications also have direct application to rotorcraft and turbomachinery analyses. The modified CFL3D steady-state calculation is a new capability that showed excellent agreement with results calculated by a similar formulation. The application of automatic differentiation to CFL3D allows the static stability and body-axis rate derivatives to be calculated quickly and exactly.

Molecular basis of slow activation of the human ether-á-go-go related gene potassium channel

PubMed Central

Subbiah, Rajesh N; Clarke, Catherine E; Smith, David J; Zhao, JingTing; Campbell, Terence J; Vandenberg, Jamie I

2004-01-01

The human ether-á-go-go related gene (HERG) encodes the pore forming α-subunit of the rapid delayed rectifier K+ channel which is central to the repolarization phase of the cardiac action potential. HERG K+ channels have unusual kinetics characterized by slow activation and deactivation, yet rapid inactivation. The fourth transmembrane domain (S4) of HERG, like other voltage-gated K+ channels, contains multiple positive charges and is the voltage sensor for activation. In this study, we mutated each of the positively charged residues in this region to glutamine (Q), expressed the mutant and wild-type (WT) channels in Xenopus laevis oocytes and studied them using two-electrode voltage clamp methods. K525Q channels activated at more hyperpolarized potentials than WT, whereas all the other mutant channels activated at more depolarized potentials. All mutants except for R531Q also had a reduction in apparent gating charge associated with activation. Mutation of K525 to cysteine (C) resulted in a less dramatic phenotype than K525Q. The addition of the positively charged MTSET to K525C altered the phenotype to one more similar to K525Q than to WT. Therefore it is not charge per se, but the specific lysine side chain at position 525, that is crucial for stabilizing the closed state. When rates of activation and deactivation for WT and mutant channels were compared at equivalent total (chemical + electrostatic) driving forces, K525Q and R528Q accelerated activation but had no effect on deactivation, R531Q slowed activation and deactivation, R534Q accelerated activation but slowed deactivation and R537Q accelerated deactivation but had no effect on activation. The main conclusions we can draw from these data are that in WT channels K525 stabilizes the closed state, R531 stabilizes the open state and R534 participates in interactions that stabilize pre-open closed states. PMID:15181157

Symphyseal fixation in open book injuries cannot fully compensate anterior SI joint injury-A biomechanical study in a two-leg alternating load model.

PubMed

Stuby, Fabian M; Lenz, Mark; Doebele, Stefan; Agarwal, Yash; Skulev, Hristo; Ochs, Björn G; Zwingmann, Jörn; Gueorguiev, Boyko

2017-01-01

In open book injuries type Tile B1.1 or B1.2 also classified as APC II (anteroposterior compression), it remains controversial, if a fixation of the anterior ring provides sufficient stability or a fixation of the posterior ring should be included. Therefore the relative motion at the sacroiliac joint was quantified in a two-leg alternating load biomechanical pelvis model in the intact, the injured and the restored pelvis. Fresh-frozen intact (I) pelvises (n = 6) were subjected to a non-destructive cyclic test under sinosuidal axial two-leg alternating load with progressively increasing amplitude. Afterwards an open book injury (J) including the anterior ligament complex of the left sacroiliac joint, the sacrospinal and sacrotuberal ligaments (Tile B1.1) was created and the specimens were retested. Finally, the symphysis was stabilized with a modular fixation system (1-, 2- or 4-rod configuration) (R) and specimens were cyclically retested. Relative motion at the sacroiliac joint was captured at both sacroiliac joints by motion tracking system at two load levels of 170 N and 340 N during all tests. Relative sacroiliac joint movements at both load levels were significantly higher in the J-state compared to the I-state, excluding superoinferior translational movement. With exception of the anteroposterior translational movement at 340N, the relative sacroiliac joint movements after each of the three reconstructions (1-, 2-, 4-rod fixation) were significantly smaller compared to the J-state and did not differ significantly to the I-state, but stayed above the values of the latter. Relative movements did not differ significantly in a direct comparison between the 1-rod, 2-rod and 4-rod fixations. Symphyseal locked plating significantly reduces relative movement of the sacroiliac joint in open book injuries type Tile B1.1 or B1.2 (APC II) but cannot fully restore the situation of the intact sacroiliac joint.

Symphyseal fixation in open book injuries cannot fully compensate anterior SI joint injury—A biomechanical study in a two-leg alternating load model

PubMed Central

Stuby, Fabian M.; Lenz, Mark; Agarwal, Yash; Skulev, Hristo; Ochs, Björn G.; Zwingmann, Jörn; Gueorguiev, Boyko

2017-01-01

Introduction In open book injuries type Tile B1.1 or B1.2 also classified as APC II (anteroposterior compression), it remains controversial, if a fixation of the anterior ring provides sufficient stability or a fixation of the posterior ring should be included. Therefore the relative motion at the sacroiliac joint was quantified in a two-leg alternating load biomechanical pelvis model in the intact, the injured and the restored pelvis. Methods Fresh-frozen intact (I) pelvises (n = 6) were subjected to a non-destructive cyclic test under sinosuidal axial two-leg alternating load with progressively increasing amplitude. Afterwards an open book injury (J) including the anterior ligament complex of the left sacroiliac joint, the sacrospinal and sacrotuberal ligaments (Tile B1.1) was created and the specimens were retested. Finally, the symphysis was stabilized with a modular fixation system (1-, 2- or 4-rod configuration) (R) and specimens were cyclically retested. Relative motion at the sacroiliac joint was captured at both sacroiliac joints by motion tracking system at two load levels of 170 N and 340 N during all tests. Results Relative sacroiliac joint movements at both load levels were significantly higher in the J-state compared to the I-state, excluding superoinferior translational movement. With exception of the anteroposterior translational movement at 340N, the relative sacroiliac joint movements after each of the three reconstructions (1-, 2-, 4-rod fixation) were significantly smaller compared to the J-state and did not differ significantly to the I-state, but stayed above the values of the latter. Relative movements did not differ significantly in a direct comparison between the 1-rod, 2-rod and 4-rod fixations. Conclusion Symphyseal locked plating significantly reduces relative movement of the sacroiliac joint in open book injuries type Tile B1.1 or B1.2 (APC II) but cannot fully restore the situation of the intact sacroiliac joint. PMID:29176772

Stress state of rock mass under open pit mining in the influence zone of tectonic disturbances (in terms of the Oktorkoi Fault, North Tien Shan)

NASA Astrophysics Data System (ADS)

Kozhogulov, KCh; Nikolskaya, OV; Rybin, AK; Kuzikov, SI

2018-03-01

The qualitative connection between the crack growth direction and the orientation of the main axes of horizontal deformations in rocks mass in the area of the Boordin gold ore province is revealed. The effect of the rock mass quality (RQD) and contact conditions of crack surfaces on the stability index of pit wall rock mass is evaluated, and the influence of the rock mass quality index on the pit wall stability is determined.

On a two-pass scheme without a faraday mirror for free-space relativistic quantum cryptography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kravtsov, K. S.; Radchenko, I. V.; Korol'kov, A. V.

2013-05-15

The stability of destructive interference independent of the input polarization and the state of a quantum communication channel in fiber optic systems used in quantum cryptography plays a principal role in providing the security of communicated keys. A novel optical scheme is proposed that can be used both in relativistic quantum cryptography for communicating keys in open space and for communicating them over fiber optic lines. The scheme ensures stability of destructive interference and admits simple automatic balancing of a fiber interferometer.

Control of serotonin transporter phosphorylation by conformational state

PubMed Central

Zhang, Yuan-Wei; Turk, Benjamin E.

2016-01-01

Serotonin transporter (SERT) is responsible for reuptake and recycling of 5-hydroxytryptamine (5-HT; serotonin) after its exocytotic release during neurotransmission. Mutations in human SERT are associated with psychiatric disorders and autism. Some of these mutations affect the regulation of SERT activity by cGMP-dependent phosphorylation. Here we provide direct evidence that this phosphorylation occurs at Thr276, predicted to lie near the cytoplasmic end of transmembrane helix 5 (TM5). Using membranes from HeLa cells expressing SERT and intact rat basophilic leukemia cells, we show that agents such as Na+ and cocaine that stabilize outward-open conformations of SERT decreased phosphorylation and agents that stabilize inward-open conformations (e.g., 5-HT, ibogaine) increased phosphorylation. The opposing effects of the inhibitors cocaine and ibogaine were each reversed by an excess of the other inhibitor. Inhibition of phosphorylation by Na+ and stimulation by ibogaine occurred at concentrations that induced outward opening and inward opening, respectively, as measured by the accessibility of cysteine residues in the extracellular and cytoplasmic permeation pathways, respectively. The results are consistent with a mechanism of SERT regulation that is activated by the transport of 5-HT, which increases the level of inward-open SERT and may lead to unwinding of the TM5 helix to allow phosphorylation. PMID:27140629

Control of serotonin transporter phosphorylation by conformational state.

PubMed

Zhang, Yuan-Wei; Turk, Benjamin E; Rudnick, Gary

2016-05-17

Serotonin transporter (SERT) is responsible for reuptake and recycling of 5-hydroxytryptamine (5-HT; serotonin) after its exocytotic release during neurotransmission. Mutations in human SERT are associated with psychiatric disorders and autism. Some of these mutations affect the regulation of SERT activity by cGMP-dependent phosphorylation. Here we provide direct evidence that this phosphorylation occurs at Thr276, predicted to lie near the cytoplasmic end of transmembrane helix 5 (TM5). Using membranes from HeLa cells expressing SERT and intact rat basophilic leukemia cells, we show that agents such as Na(+) and cocaine that stabilize outward-open conformations of SERT decreased phosphorylation and agents that stabilize inward-open conformations (e.g., 5-HT, ibogaine) increased phosphorylation. The opposing effects of the inhibitors cocaine and ibogaine were each reversed by an excess of the other inhibitor. Inhibition of phosphorylation by Na(+) and stimulation by ibogaine occurred at concentrations that induced outward opening and inward opening, respectively, as measured by the accessibility of cysteine residues in the extracellular and cytoplasmic permeation pathways, respectively. The results are consistent with a mechanism of SERT regulation that is activated by the transport of 5-HT, which increases the level of inward-open SERT and may lead to unwinding of the TM5 helix to allow phosphorylation.

The mechanism of the emergence of distinct overstretched DNA states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, You-Liang; Sun, Zhao-Yan, E-mail: zysun@ciac.ac.cn; Lu, Zhong-Yuan

Although multiple overstretched DNA states were identified in experiments, the mechanism of the emergence of distinct states is still unclear. Molecular dynamics simulation is an ideal tool to clarify the mechanism, but the force loading rates in stretching achieved by conventional all-atom DNA models are much faster, which essentially affect overstretching states. We employed a modified coarse-grained DNA model with an unprecedented low loading rate in simulations to study the overstretching transitions of end-opened double-stranded DNA. We observed two-strand peeling off for DNA with low stability and the S-DNA with high stability under tension. By introducing a melting-forbidden model whichmore » prevents base-pair breaking, we still observed the overstretching transition induced by the formation of S-DNA due to the change of dihedral angle. Hence, we confirmed that the competition between the two strain-softening manners, i.e., base-pair breaking and dihedral angle variation, results in the emergence of distinct overstretched DNA states.« less

Binding mechanism and dynamic conformational change of C subunit of PKA with different pathways

PubMed Central

Chu, Wen-Ting; Chu, Xiakun; Wang, Jin

2017-01-01

The catalytic subunit of PKA (PKAc) exhibits three major conformational states (open, intermediate, and closed) during the biocatalysis process. Both ATP and substrate/inhibitor can effectively induce the conformational changes of PKAc from open to closed states. Aiming to explore the mechanism of this allosteric regulation, we developed a coarse-grained model and analyzed the dynamics of conformational changes of PKAc during binding by performing molecular dynamics simulations for apo PKAc, binary PKAc (PKAc with ATP, PKAc with PKI), and ternary PKAc (PKAc with ATP and PKI). Our results suggest a mixed binding mechanism of induced fit and conformational selection, with the induced fit dominant. The ligands can drive the movements of Gly-rich loop as well as some regions distal to the active site in PKAc and stabilize them at complex state. In addition, there are two parallel pathways (pathway with PKAc-ATP as an intermediate and pathway PKAc-PKI as an intermediate) during the transition from open to closed states. By molecular dynamics simulations and rate constant analyses, we find that the pathway through PKAc-ATP intermediate is the main binding route from open to closed state because of the fact that the bound PKI will hamper ATP from successful binding and significantly increase the barrier for the second binding subprocess. These findings will provide fundamental insights of the mechanisms of PKAc conformational change upon binding. PMID:28855336

Binding mechanism and dynamic conformational change of C subunit of PKA with different pathways.

PubMed

Chu, Wen-Ting; Chu, Xiakun; Wang, Jin

2017-09-19

The catalytic subunit of PKA (PKAc) exhibits three major conformational states (open, intermediate, and closed) during the biocatalysis process. Both ATP and substrate/inhibitor can effectively induce the conformational changes of PKAc from open to closed states. Aiming to explore the mechanism of this allosteric regulation, we developed a coarse-grained model and analyzed the dynamics of conformational changes of PKAc during binding by performing molecular dynamics simulations for apo PKAc, binary PKAc (PKAc with ATP, PKAc with PKI), and ternary PKAc (PKAc with ATP and PKI). Our results suggest a mixed binding mechanism of induced fit and conformational selection, with the induced fit dominant. The ligands can drive the movements of Gly-rich loop as well as some regions distal to the active site in PKAc and stabilize them at complex state. In addition, there are two parallel pathways (pathway with PKAc-ATP as an intermediate and pathway PKAc-PKI as an intermediate) during the transition from open to closed states. By molecular dynamics simulations and rate constant analyses, we find that the pathway through PKAc-ATP intermediate is the main binding route from open to closed state because of the fact that the bound PKI will hamper ATP from successful binding and significantly increase the barrier for the second binding subprocess. These findings will provide fundamental insights of the mechanisms of PKAc conformational change upon binding.

Application Side Casing on Open Deck RoRo to Improve Ship Stability

NASA Astrophysics Data System (ADS)

Hasanudin; K. A. P Utama, I.; Chen, Jeng-Horng

2018-03-01

RoRo is a vessel that can transport passengers, cargo, container and cars. Open Car Deck is favourite RoRo Vessel in developing countries due to its small GT, small tax and spacious car deck, but it has poor survival of stability. Many accident involve Open Car Deck RoRo which cause fatalities and victim. In order to ensure the safety of the ship, IMO had applied intact stability criteria IS Code 2008 which adapted from Rahola’s Research, but since 2008 IMO improved criteria become probabilistic damage stability SOLAS 2009. The RoRo type Open Car Deck has wide Breadth (B), small Draft (D) and small freeboard. It has difficulties to satisfy the ship’s stability criteria. Side Casings which has been applied in some RoRo have be known reduce freeboard or improve ship’s safety. In this paper investigated the effect side casings to survival of intact dan damage ship’s stability. Calculation has been conducted for four ships without, existing and full side casings. The investigation results shows that defect stability of Open Deck RoRo can be reduce with fitting side casing.

Stabilized TiN nanowire arrays for high-performance and flexible supercapacitors.

PubMed

Lu, Xihong; Wang, Gongming; Zhai, Teng; Yu, Minghao; Xie, Shilei; Ling, Yichuan; Liang, Chaolun; Tong, Yexiang; Li, Yat

2012-10-10

Metal nitrides have received increasing attention as electrode materials for high-performance supercapacitors (SCs). However, most of them are suffered from poor cycling stability. Here we use TiN as an example to elucidate the mechanism causing the capacitance loss. X-ray photoelectron spectroscopy analyses revealed that the instability is due to the irreversible electrochemical oxidation of TiN during the charging/discharging process. Significantly, we demonstrate for the first time that TiN can be stabilized without sacrificing its electrochemical performance by using poly(vinyl alcohol) (PVA)/KOH gel as the electrolyte. The polymer electrolyte suppresses the oxidation reaction on electrode surface. Electrochemical studies showed that the TiN solid-state SCs exhibit extraordinary stability up to 15,000 cycles and achieved a high volumetric energy density of 0.05 mWh/cm(3). The capability of effectively stabilizing nitride materials could open up new opportunities in developing high-performance and flexible SCs.

Self-esteem instability and personality: the connections between feelings of self-worth and the big five dimensions of personality.

PubMed

Zeigler-Hill, Virgil; Holden, Christopher J; Enjaian, Brian; Southard, Ashton C; Besser, Avi; Li, Haijiang; Zhang, Qinglin

2015-02-01

Relatively few studies have focused on the connections between self-esteem and basic personality dimensions. The purpose of the present studies was to examine whether self-esteem level and self-esteem instability were associated with the Big Five personality dimensions and whether self-esteem instability moderated the associations that self-esteem level had with these personality features. This was accomplished by conducting a series of studies that included samples from the United States, Israel, and China. Across these studies, self-esteem level was associated with high levels of extraversion, emotional stability, agreeableness, conscientiousness, and openness, whereas self-esteem instability was associated with low levels of emotional stability, agreeableness, and conscientiousness. Individuals with stable high self-esteem reported the highest levels of emotional stability, agreeableness, and conscientiousness, whereas those with stable low self-esteem had the lowest levels of openness. The results of these studies suggest that feelings of self-worth are associated with self-reported and perceived personality features. © 2014 by the Society for Personality and Social Psychology, Inc.

Reduced Fluorescent Protein Switching Fatigue by Binding-Induced Emissive State Stabilization

PubMed Central

Dedecker, Peter

2017-01-01

Reversibly switchable fluorescent proteins (RSFPs) enable advanced fluorescence imaging, though the performance of this imaging crucially depends on the properties of the labels. We report on the use of an existing small binding peptide, named Enhancer, to modulate the spectroscopic properties of the recently developed rsGreen series of RSFPs. Fusion constructs of Enhancer with rsGreen1 and rsGreenF revealed an increased molecular brightness and pH stability, although expression in living E. coli or HeLa cells resulted in a decrease of the overall emission. Surprisingly, Enhancer binding also increased off-switching speed and resistance to switching fatigue. Further investigation suggested that the RSFPs can interconvert between fast- and slow-switching emissive states, with the overall protein population gradually converting to the slow-switching state through irradiation. The Enhancer modulates the spectroscopic properties of both states, but also preferentially stabilizes the fast-switching state, supporting the increased fatigue resistance. This work demonstrates how the photo-physical properties of RSFPs can be influenced by their binding to other small proteins, which opens up new horizons for applications that may require such modulation. Furthermore, we provide new insights into the photoswitching kinetics that should be of general consideration when developing new RSFPs with improved or different photochromic properties. PMID:28930199

The First Extracellular Linker Is Important for Several Aspects of the Gating Mechanism of Human TRPA1 Channel

PubMed Central

Marsakova, Lenka; Barvik, Ivan; Zima, Vlastimil; Zimova, Lucie; Vlachova, Viktorie

2017-01-01

Transient receptor potential ankyrin 1 (TRPA1) is an excitatory ion channel involved in pain, inflammation and itching. This channel gates in response to many irritant and proalgesic agents, and can be modulated by calcium and depolarizing voltage. While the closed-state structure of TRPA1 has been recently resolved, also having its open state is essential for understanding how this channel works. Here we use molecular dynamics simulations combined with electrophysiological measurements and systematic mutagenesis to predict and explore the conformational changes coupled to the expansion of the presumptive channel's lower gate. We show that, upon opening, the upper part of the sensor module approaches the pore domain of an adjacent subunit and the conformational dynamics of the first extracellular flexible loop may govern the voltage-dependence of multimodal gating, thereby serving to stabilize the open state of the channel. These results are generally important in understanding the structure and function of TRPA1 and offer new insights into the gating mechanism of TRPA1 and related channels. PMID:28197074

The gating cycle of a K+ channel at atomic resolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cuello, Luis G.; Cortes, D. Marien; Perozo, Eduardo

C-type inactivation in potassium channels helps fine-tune long-term channel activity through conformational changes at the selectivity filter. Here, through the use of cross-linked constitutively open constructs, we determined the structures of KcsA’s mutants that stabilize the selectivity filter in its conductive (E71A, at 2.25 Å) and deep C-type inactivated (Y82A at 2.4 Å) conformations. These structural snapshots represent KcsA’s transient open-conductive (O/O) and the stable open deep C-type inactivated states (O/I), respectively. The present structures provide an unprecedented view of the selectivity filter backbone in its collapsed deep C-type inactivated conformation, highlighting the close interactions with structural waters and themore » local allosteric interactions that couple activation and inactivation gating. Together with the structures associated with the closed-inactivated state (C/I) and in the well-known closed conductive state (C/O), this work recapitulates, at atomic resolution, the key conformational changes of a potassium channel pore domain as it progresses along its gating cycle.« less

A parametric finite element method for solid-state dewetting problems with anisotropic surface energies

NASA Astrophysics Data System (ADS)

Bao, Weizhu; Jiang, Wei; Wang, Yan; Zhao, Quan

2017-02-01

We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the sharp-interface models belong to a new type of high-order (4th- or 6th-order) geometric evolution partial differential equations about open curve/surface interface tracking problems which include anisotropic surface diffusion flow and contact line migration. Compared to the traditional methods (e.g., marker-particle methods), the proposed PFEM not only has very good accuracy, but also poses very mild restrictions on the numerical stability, and thus it has significant advantages for solving this type of open curve evolution problems with applications in the simulation of solid-state dewetting. Extensive numerical results are reported to demonstrate the accuracy and high efficiency of the proposed PFEM.

Turing patterns in parabolic systems of conservation laws and numerically observed stability of periodic waves

NASA Astrophysics Data System (ADS)

Barker, Blake; Jung, Soyeun; Zumbrun, Kevin

2018-03-01

Turing patterns on unbounded domains have been widely studied in systems of reaction-diffusion equations. However, up to now, they have not been studied for systems of conservation laws. Here, we (i) derive conditions for Turing instability in conservation laws and (ii) use these conditions to find families of periodic solutions bifurcating from uniform states, numerically continuing these families into the large-amplitude regime. For the examples studied, numerical stability analysis suggests that stable periodic waves can emerge either from supercritical Turing bifurcations or, via secondary bifurcation as amplitude is increased, from subcritical Turing bifurcations. This answers in the affirmative a question of Oh-Zumbrun whether stable periodic solutions of conservation laws can occur. Determination of a full small-amplitude stability diagram - specifically, determination of rigorous Eckhaus-type stability conditions - remains an interesting open problem.

Improving the apo-state detergent stability of NTS1 with CHESS for pharmacological and structural studies.

PubMed

Scott, Daniel J; Kummer, Lutz; Egloff, Pascal; Bathgate, Ross A D; Plückthun, Andreas

2014-11-01

The largest single class of drug targets is the G protein-coupled receptor (GPCR) family. Modern high-throughput methods for drug discovery require working with pure protein, but this has been a challenge for GPCRs, and thus the success of screening campaigns targeting soluble, catalytic protein domains has not yet been realized for GPCRs. Therefore, most GPCR drug screening has been cell-based, whereas the strategy of choice for drug discovery against soluble proteins is HTS using purified proteins coupled to structure-based drug design. While recent developments are increasing the chances of obtaining GPCR crystal structures, the feasibility of screening directly against purified GPCRs in the unbound state (apo-state) remains low. GPCRs exhibit low stability in detergent micelles, especially in the apo-state, over the time periods required for performing large screens. Recent methods for generating detergent-stable GPCRs, however, offer the potential for researchers to manipulate GPCRs almost like soluble enzymes, opening up new avenues for drug discovery. Here we apply cellular high-throughput encapsulation, solubilization and screening (CHESS) to the neurotensin receptor 1 (NTS1) to generate a variant that is stable in the apo-state when solubilized in detergents. This high stability facilitated the crystal structure determination of this receptor and also allowed us to probe the pharmacology of detergent-solubilized, apo-state NTS1 using robotic ligand binding assays. NTS1 is a target for the development of novel antipsychotics, and thus CHESS-stabilized receptors represent exciting tools for drug discovery. Copyright © 2014 Elsevier B.V. All rights reserved.

A Direct Demonstration of Closed-State Inactivation of K+ Channels at Low pH

PubMed Central

Claydon, Thomas W.; Vaid, Moni; Rezazadeh, Saman; Kwan, Daniel C.H.; Kehl, Steven J.; Fedida, David

2007-01-01

Lowering external pH reduces peak current and enhances current decay in Kv and Shaker-IR channels. Using voltage-clamp fluorimetry we directly determined the fate of Shaker-IR channels at low pH by measuring fluorescence emission from tetramethylrhodamine-5-maleimide attached to substituted cysteine residues in the voltage sensor domain (M356C to R362C) or S5-P linker (S424C). One aspect of the distal S3-S4 linker α-helix (A359C and R362C) reported a pH-induced acceleration of the slow phase of fluorescence quenching that represents P/C-type inactivation, but neither site reported a change in the total charge movement at low pH. Shaker S424C fluorescence demonstrated slow unquenching that also reflects channel inactivation and this too was accelerated at low pH. In addition, however, acidic pH caused a reversible loss of the fluorescence signal (pKa = 5.1) that paralleled the reduction of peak current amplitude (pKa = 5.2). Protons decreased single channel open probability, suggesting that the loss of fluorescence at low pH reflects a decreased channel availability that is responsible for the reduced macroscopic conductance. Inhibition of inactivation in Shaker S424C (by raising external K+ or the mutation T449V) prevented fluorescence loss at low pH, and the fluorescence report from closed Shaker ILT S424C channels implied that protons stabilized a W434F-like inactivated state. Furthermore, acidic pH changed the fluorescence amplitude (pKa = 5.9) in channels held continuously at −80 mV. This suggests that low pH stabilizes closed-inactivated states. Thus, fluorescence experiments suggest the major mechanism of pH-induced peak current reduction is inactivation of channels from closed states from which they can activate, but not open; this occurs in addition to acceleration of P/C-type inactivation from the open state. PMID:17470663

eIF1 Loop 2 interactions with Met-tRNAi control the accuracy of start codon selection by the scanning preinitiation complex.

PubMed

Thakur, Anil; Hinnebusch, Alan G

2018-05-01

The eukaryotic 43S preinitiation complex (PIC), bearing initiator methionyl transfer RNA (Met-tRNA i ) in a ternary complex (TC) with eukaryotic initiation factor 2 (eIF2)-GTP, scans the mRNA leader for an AUG codon in favorable context. AUG recognition evokes rearrangement from an open PIC conformation with TC in a "P OUT " state to a closed conformation with TC more tightly bound in a "P IN " state. eIF1 binds to the 40S subunit and exerts a dual role of enhancing TC binding to the open PIC conformation while antagonizing the P IN state, necessitating eIF1 dissociation for start codon selection. Structures of reconstituted PICs reveal juxtaposition of eIF1 Loop 2 with the Met-tRNA i D loop in the P IN state and predict a distortion of Loop 2 from its conformation in the open complex to avoid a clash with Met-tRNA i We show that Ala substitutions in Loop 2 increase initiation at both near-cognate UUG codons and AUG codons in poor context. Consistently, the D71A-M74A double substitution stabilizes TC binding to 48S PICs reconstituted with mRNA harboring a UUG start codon, without affecting eIF1 affinity for 40S subunits. Relatively stronger effects were conferred by arginine substitutions; and no Loop 2 substitutions perturbed the rate of TC loading on scanning 40S subunits in vivo. Thus, Loop 2-D loop interactions specifically impede Met-tRNA i accommodation in the P IN state without influencing the P OUT mode of TC binding; and Arg substitutions convert the Loop 2-tRNA i clash to an electrostatic attraction that stabilizes P IN and enhances selection of poor start codons in vivo.

Conformational dynamics of a G-protein α subunit is tightly regulated by nucleotide binding.

PubMed

Goricanec, David; Stehle, Ralf; Egloff, Pascal; Grigoriu, Simina; Plückthun, Andreas; Wagner, Gerhard; Hagn, Franz

2016-06-28

Heterotrimeric G proteins play a pivotal role in the signal-transduction pathways initiated by G-protein-coupled receptor (GPCR) activation. Agonist-receptor binding causes GDP-to-GTP exchange and dissociation of the Gα subunit from the heterotrimeric G protein, leading to downstream signaling. Here, we studied the internal mobility of a G-protein α subunit in its apo and nucleotide-bound forms and characterized their dynamical features at multiple time scales using solution NMR, small-angle X-ray scattering, and molecular dynamics simulations. We find that binding of GTP analogs leads to a rigid and closed arrangement of the Gα subdomain, whereas the apo and GDP-bound forms are considerably more open and dynamic. Furthermore, we were able to detect two conformational states of the Gα Ras domain in slow exchange whose populations are regulated by binding to nucleotides and a GPCR. One of these conformational states, the open state, binds to the GPCR; the second conformation, the closed state, shows no interaction with the receptor. Binding to the GPCR stabilizes the open state. This study provides an in-depth analysis of the conformational landscape and the switching function of a G-protein α subunit and the influence of a GPCR in that landscape.

Conformational dynamics of a G-protein α subunit is tightly regulated by nucleotide binding

PubMed Central

Goricanec, David; Stehle, Ralf; Egloff, Pascal; Grigoriu, Simina; Wagner, Gerhard; Hagn, Franz

2016-01-01

Heterotrimeric G proteins play a pivotal role in the signal-transduction pathways initiated by G-protein–coupled receptor (GPCR) activation. Agonist–receptor binding causes GDP-to-GTP exchange and dissociation of the Gα subunit from the heterotrimeric G protein, leading to downstream signaling. Here, we studied the internal mobility of a G-protein α subunit in its apo and nucleotide-bound forms and characterized their dynamical features at multiple time scales using solution NMR, small-angle X-ray scattering, and molecular dynamics simulations. We find that binding of GTP analogs leads to a rigid and closed arrangement of the Gα subdomain, whereas the apo and GDP-bound forms are considerably more open and dynamic. Furthermore, we were able to detect two conformational states of the Gα Ras domain in slow exchange whose populations are regulated by binding to nucleotides and a GPCR. One of these conformational states, the open state, binds to the GPCR; the second conformation, the closed state, shows no interaction with the receptor. Binding to the GPCR stabilizes the open state. This study provides an in-depth analysis of the conformational landscape and the switching function of a G-protein α subunit and the influence of a GPCR in that landscape. PMID:27298341

Glycine receptor mechanism illuminated by electron cryo-microscopy

PubMed Central

Du, Juan; Lü, Wei; Wu, Shenping; Cheng, Yifan; Gouaux, Eric

2015-01-01

Summary The strychnine-sensitive glycine receptor (GlyR) mediates inhibitory synaptic transmission in the spinal cord and brainstem and is linked to neurological disorders including autism and hyperekplexia. Understanding of molecular mechanisms and pharmacology of GlyRs has been hindered by a dearth of high-resolution structures. Here we report electron cryo-microscopy structures of the α1 GlyR with strychnine, glycine, or glycine/ivermectin. Strychnine arrests the receptor in an antagonist-bound, closed ion channel state, glycine stabilizes the receptor in an agonist-bound open channel state, and the glycine/ivermectin complex adopts a potentially desensitized or partially open state. Relative to the glycine-bound state, strychnine expands the agonist-binding pocket via outward movement of the C loop, promotes rearrangement of the extracellular and transmembrane domain ‘wrist’ interface, and leads to rotation of the transmembrane domain toward the pore axis, occluding the ion conduction pathway. These structures illuminate GlyR mechanism and define a rubric to interpret structures of Cys-loop receptors. PMID:26344198

Glycine receptor mechanism elucidated by electron cryo-microscopy.

PubMed

Du, Juan; Lü, Wei; Wu, Shenping; Cheng, Yifan; Gouaux, Eric

2015-10-08

The strychnine-sensitive glycine receptor (GlyR) mediates inhibitory synaptic transmission in the spinal cord and brainstem and is linked to neurological disorders, including autism and hyperekplexia. Understanding of molecular mechanisms and pharmacology of glycine receptors has been hindered by a lack of high-resolution structures. Here we report electron cryo-microscopy structures of the zebrafish α1 GlyR with strychnine, glycine, or glycine and ivermectin (glycine/ivermectin). Strychnine arrests the receptor in an antagonist-bound closed ion channel state, glycine stabilizes the receptor in an agonist-bound open channel state, and the glycine/ivermectin complex adopts a potentially desensitized or partially open state. Relative to the glycine-bound state, strychnine expands the agonist-binding pocket via outward movement of the C loop, promotes rearrangement of the extracellular and transmembrane domain 'wrist' interface, and leads to rotation of the transmembrane domain towards the pore axis, occluding the ion conduction pathway. These structures illuminate the GlyR mechanism and define a rubric to interpret structures of Cys-loop receptors.

Biomechanical Comparison of an Open vs Arthroscopic Approach for Lateral Ankle Instability.

PubMed

Drakos, Mark C; Behrens, Steve B; Paller, Dave; Murphy, Conor; DiGiovanni, Christopher W

2014-08-01

The current clinical standard for the surgical treatment of ankle instability remains the open modified Broström procedure. Modern advents in arthroscopic technology have allowed physicians to perform certain foot and ankle procedures arthroscopically as opposed to traditional open approaches. Twenty matched lower extremity cadaver specimens were obtained. Steinman pins were inserted into the tibia and talus with 6 sensors affixed to each pin. Specimens were placed in a Telos ankle stress apparatus in an anteroposterior and then lateral position, while a 1.7 N-m load was applied. For each of these tests, movement of the sensors was measured in 3 planes using the Optotrak Computer Navigation System. Changes in position were calculated and compared with the unloaded state. The anteriortalofibular ligament and the calcaneofibular ligament were thereafter sectioned from the fibula. The aforementioned measurements in the loaded and unloaded states were repeated on the specimens. The sectioned ligaments were then repaired using 2 corkscrew anchors. Ten specimens were repaired using a standard open Broström-type repair, while the matched pairs were repaired using an arthroscopic technique. Measurements were repeated and compared using a paired t test. There was a statistically significant difference between the sectioned state and the other 3 states (P < .05). There were no statistically significant differences between the intact state and either the open or arthroscopic state (P > .05). There were no significant differences between the open and arthroscopic repairs with respect to translation and total combined motion during the talar tilt test (P > .05). Statistically significant differences were demonstrated between the 2 methods in 3 specific axes of movement during talar tilt (P = .04). Biomechanically effective ankle stabilization may be amenable to a minimally invasive approach. A minimally invasive, arthroscopic approach can be considered for treating patients with lateral ankle instability who have failed conservative treatment. © The Author(s) 2014.

Stope Stability Assessment and Effect of Horizontal to Vertical Stress Ratio on the Yielding and Relaxation Zones Around Underground Open Stopes Using Empirical and Finite Element Methods

NASA Astrophysics Data System (ADS)

Sepehri, Mohammadali; Apel, Derek; Liu, Wei

2017-09-01

Predicting the stability of open stopes can be a challenging task for underground mine engineers. For decades, the stability graph method has been used as the first step of open stope design around the world. However, there are some shortcomings with this method. For instance, the stability graph method does not account for the relaxation zones around the stopes. Another limitation of the stability graph is that this method cannot to be used to evaluate the stability of the stopes with high walls made of backfill materials. However, there are several analytical and numerical methods that can be used to overcome these limitations. In this study, both empirical and numerical methods have been used to assess the stability of an open stope located between mine levels N9225 and N9250 at Diavik diamond underground mine. It was shown that the numerical methods can be used as complementary methods along with other analytical and empirical methods to assess the stability of open stopes. A three dimensional elastoplastic finite element model was constructed using Abaqus software. In this paper a sensitivity analysis was performed to investigate the impact of the stress ratio "k" on the extent of the yielding and relaxation zones around the hangingwall and footwall of the understudy stope.

Exploring Early Stages of the Chemical Unfolding of Proteins at the Proteome Scale

PubMed Central

Candotti, Michela; Pérez, Alberto; Ferrer-Costa, Carles; Rueda, Manuel; Meyer, Tim; Gelpí, Josep Lluís; Orozco, Modesto

2013-01-01

After decades of using urea as denaturant, the kinetic role of this molecule in the unfolding process is still undefined: does urea actively induce protein unfolding or passively stabilize the unfolded state? By analyzing a set of 30 proteins (representative of all native folds) through extensive molecular dynamics simulations in denaturant (using a range of force-fields), we derived robust rules for urea unfolding that are valid at the proteome level. Irrespective of the protein fold, presence or absence of disulphide bridges, and secondary structure composition, urea concentrates in the first solvation shell of quasi-native proteins, but with a density lower than that of the fully unfolded state. The presence of urea does not alter the spontaneous vibration pattern of proteins. In fact, it reduces the magnitude of such vibrations, leading to a counterintuitive slow down of the atomic-motions that opposes unfolding. Urea stickiness and slow diffusion is, however, crucial for unfolding. Long residence urea molecules placed around the hydrophobic core are crucial to stabilize partially open structures generated by thermal fluctuations. Our simulations indicate that although urea does not favor the formation of partially open microstates, it is not a mere spectator of unfolding that simply displaces to the right of the folded←→unfolded equilibrium. On the contrary, urea actively favors unfolding: it selects and stabilizes partially unfolded microstates, slowly driving the protein conformational ensemble far from the native one and also from the conformations sampled during thermal unfolding. PMID:24348236

Spacecraft attitude control using neuro-fuzzy approximation of the optimal controllers

NASA Astrophysics Data System (ADS)

Kim, Sung-Woo; Park, Sang-Young; Park, Chandeok

2016-01-01

In this study, a neuro-fuzzy controller (NFC) was developed for spacecraft attitude control to mitigate large computational load of the state-dependent Riccati equation (SDRE) controller. The NFC was developed by training a neuro-fuzzy network to approximate the SDRE controller. The stability of the NFC was numerically verified using a Lyapunov-based method, and the performance of the controller was analyzed in terms of approximation ability, steady-state error, cost, and execution time. The simulations and test results indicate that the developed NFC efficiently approximates the SDRE controller, with asymptotic stability in a bounded region of angular velocity encompassing the operational range of rapid-attitude maneuvers. In addition, it was shown that an approximated optimal feedback controller can be designed successfully through neuro-fuzzy approximation of the optimal open-loop controller.

Metal-Assisted Channel Stabilization: Disposition of a Single Histidine on the N-terminus of Alamethicin Yields Channels with Extraordinarily Long Lifetimes

PubMed Central

Noshiro, Daisuke; Asami, Koji; Futaki, Shiroh

2010-01-01

Abstract Alamethicin, a member of the peptaibol family of antibiotics, is a typical channel-forming peptide with a helical structure. The self-assembly of the peptide in the membranes yields voltage-dependent channels. In this study, three alamethicin analogs possessing a charged residue (His, Lys, or Glu) on their N-termini were designed with the expectation of stabilizing the transmembrane structure. A slight elongation of channel lifetime was observed for the Lys and Glu analogs. On the other hand, extensive stabilization of certain channel open states was observed for the His analog. This stabilization was predominantly observed in the presence of metal ions such as Zn2+, suggesting that metal coordination with His facilitates the formation of a supramolecular assembly in the membranes. Channel stability was greatly diminished by acetylation of the N-terminal amino group, indicating that the N-terminal amino group also plays an important role in metal coordination. PMID:20441743

Noise source and reactor stability estimation in a boiling water reactor using a multivariate autoregressive model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanemoto, S.; Andoh, Y.; Sandoz, S.A.

1984-10-01

A method for evaluating reactor stability in boiling water reactors has been developed. The method is based on multivariate autoregressive (M-AR) modeling of steady-state neutron and process noise signals. In this method, two kinds of power spectral densities (PSDs) for the measured neutron signal and the corresponding noise source signal are separately identified by the M-AR modeling. The closed- and open-loop stability parameters are evaluated from these PSDs. The method is applied to actual plant noise data that were measured together with artificial perturbation test data. Stability parameters identified from noise data are compared to those from perturbation test data,more » and it is shown that both results are in good agreement. In addition to these stability estimations, driving noise sources for the neutron signal are evaluated by the M-AR modeling. Contributions from void, core flow, and pressure noise sources are quantitatively evaluated, and the void noise source is shown to be the most dominant.« less

Understanding the impact of Fc glycosylation on its conformational changes by molecular dynamics simulations and bioinformatics.

PubMed

Zhang, Yubo

2015-12-01

N-linked glycosylation of Fc at N297 plays an important role in its effector function, aberrance of which would cause disease pathogenesis. Here, we performed all-atom molecular dynamics simulations to explore the effects of Fc glycosylation on its dynamics behaviors. Firstly, equilibrium simulations suggested that Fc deglycosylation was able to induce residual flexibility in its CH2 domain. Besides, the free energy landscape revealed three minimum energy wells in deglycosylated Fc, representing its "open", "semi-closed" and "closed" states. However, we could only observe the "open" state of glycosylated Fc. Supportively, principal component analysis emphasized the prominent motion of delyclosylated Fc and dynamically depicted how it changed from the "open" state to its "closed" state. Secondly, we studied the recognition mechanism of the Fc binding to its partners. Energy decomposition analysis identified key residues of Fc to recognize its two partners P13 and P34. Evidently, electrostatic potential surfaces showed that electrostatic attraction helped to stabilize the interaction between Fc and its partners. Also, relative binding free energies explained different binding affinities in Fc-P13 and Fc-P34. Collectively, these results together provided the structural basis for understanding conformational changes of deglycosylated Fc and the recognition mechanism of the Fc binding to its partners.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barc, B.; Ryszka, M.; Spurrell, J.

Multi-photon ionization (MPI) of the RNA base uracil has been studied in the wavelength range 220–270 nm, coinciding with excitation to the S{sub 2}(ππ*) state. A fragment ion at m/z = 84 was produced by 2-photon absorption at wavelengths ≤232 nm and assigned to C{sub 3}H{sub 4}N{sub 2}O{sup +} following CO abstraction. This ion has not been observed in alternative dissociative ionization processes (notably electron impact) and its threshold is close to recent calculations of the minimum activation energy for a ring opening conical intersection to a σ(n-π)π* closed shell state. Moreover, the predicted ring opening transition leaves a COmore » group at one end of the isomer, apparently vulnerable to abstraction. An MPI mass spectrum of uracil-water clusters is presented for the first time and compared with an equivalent dry measurement. Hydration enhances certain fragment ion pathways (particularly C{sub 3}H{sub 3}NO{sup +}) but represses C{sub 3}H{sub 4}N{sub 2}O{sup +} production. This indicates that hydrogen bonding to water stabilizes uracil with respect to neutral excited-state ring opening.« less

Membrane rupture generates single open membrane sheets during vaccinia virus assembly.

PubMed

Chlanda, Petr; Carbajal, Maria Alejandra; Cyrklaff, Marek; Griffiths, Gareth; Krijnse-Locker, Jacomine

2009-07-23

The biogenesis and dynamics of cellular membranes are governed by fusion and fission processes that ensure the maintenance of closed compartments. These principles also apply to viruses during acquisition of their envelope. Based on conventional electron microscopy (EM), however, it has been proposed that poxviruses assemble from membranes made de novo with "free" ends in the cytoplasm. Here, we analyze the origin and structure of poxvirus membranes in a close-to-native state and in three dimensions by using cryopreservation and electron tomography (ET). By cryo-EM, the precursor membrane of poxviruses appears as an open membrane sheet stabilized by a protein scaffold. ET shows that this membrane is derived from pre-existing cellular membranes that rupture to generate an open compartment, rather than being made de novo. Thus, poxvirus infection represents an excellent system to study how cytoplasmic membranes can form open sheets by a process distinct from well-defined mechanisms of membrane biogenesis.

Mechanism-Based Mathematical Model for Gating of Ionotropic Glutamate Receptors.

PubMed

Dai, Jian; Wollmuth, Lonnie P; Zhou, Huan-Xiang

2015-08-27

We present a mathematical model for ionotropic glutamate receptors (iGluR's) that is built on mechanistic understanding and yields a number of thermodynamic and kinetic properties of channel gating. iGluR's are ligand-gated ion channels responsible for the vast majority of fast excitatory neurotransmission in the central nervous system. The effects of agonist-induced closure of the ligand-binding domain (LBD) are transmitted to the transmembrane channel (TMC) via interdomain linkers. Our model demonstrates that, relative to full agonists, partial agonists may reduce either the degree of LBD closure or the curvature of the LBD free energy basin, leading to less stabilization of the channel open state and hence lower channel open probability. A rigorous relation is derived between the channel closed-to-open free energy difference and the tension within the linker. Finally, by treating LBD closure and TMC opening as diffusive motions, we obtain gating trajectories that resemble stochastic current traces from single-channel recordings and calculate the rate constants for transitions between the channel open and closed states. Our model can be implemented by molecular dynamics simulations to realistically depict iGluR gating and may guide functional experiments in gaining deeper insight into this essential family of channel proteins.

Large-Scale Conformational Dynamics Control H5N1 Influenza Polymerase PB2 Binding to Importin α.

PubMed

Delaforge, Elise; Milles, Sigrid; Bouvignies, Guillaume; Bouvier, Denis; Boivin, Stephane; Salvi, Nicola; Maurin, Damien; Martel, Anne; Round, Adam; Lemke, Edward A; Jensen, Malene Ringkjøbing; Hart, Darren J; Blackledge, Martin

2015-12-09

Influenza A RNA polymerase complex is formed from three components, PA, PB1, and PB2. PB2 is independently imported into the nucleus prior to polymerase reconstitution. All crystallographic structures of the PB2 C-terminus (residues 536-759) reveal two globular domains, 627 and NLS, that form a tightly packed heterodimer. The molecular basis of the affinity of 627-NLS for importins remained unclear from these structures, apparently requiring large-scale conformational changes prior to importin binding. Using a combination of solution-state NMR, small-angle neutron scattering, small-angle X-ray scattering (SAXS), and Förster resonance energy transfer (FRET), we show that 627-NLS populates a temperature-dependent dynamic equilibrium between closed and open states. The closed state is stabilized by a tripartite salt bridge involving the 627-NLS interface and the linker, that becomes flexible in the open state, with 627 and NLS dislocating into a highly dynamic ensemble. Activation enthalpies and entropies associated with the rupture of this interface were derived from simultaneous analysis of temperature-dependent chemical exchange saturation transfer measurements, revealing a strong temperature dependence of both open-state population and exchange rate. Single-molecule FRET and SAXS demonstrate that only the open-form is capable of binding to importin α and that, upon binding, the 627 domain samples a dynamic conformational equilibrium in the vicinity of the C-terminus of importin α. This intrinsic large-scale conformational flexibility therefore enables 627-NLS to bind importin through conformational selection from a temperature-dependent equilibrium comprising both functional forms of the protein.

Energy consumption and entropy production in a stochastic formulation of BCM learning

NASA Astrophysics Data System (ADS)

de Oliveira, L. R.; Castellani, G.; Turchetti, G.

2013-12-01

Biochemical processes in living cells are open systems, therefore they exchange materials with their environment and they consume chemical energy. These processes are molecular-based and for that reason the role of fluctuations can not be ignored and the stochastic description is the most appropriate one. The chemical master equation describes in exact way the probabilistic dynamics of a given discrete set of states and helps us to understand and clarify the differences between closed and open systems. A closed system is related to a condition of detailed balance (DB), i.e. an equilibrium state. After a sufficiently long period, an open system will reach a non-equilibrium steady state (NESS) that is sustained by a flux of external energy. We demonstrate that two implementations of the BCM learning rule (BCM82) and (BCM92) are, respectively, always in DB, and never in DB. We define a one parameter parametrization of the BCM learning rule that interpolates between these two extremes. We compute thermodynamical quantities such as internal energy, free energy (both Helmholtz and Gibbs) and entropy. The entropy variation in the case of open systems (i.e. when DB does not hold) can be divided into internal entropy production and entropy exchanged with surroundings. We show how the entropy variation can be used to find the optimal value (corresponding to increased robustness and stability) for the parameter used in the BCM parametrization. Finally, we use the calculation of the work to drive the system from an initial state to the steady state as the parameter of the plasticity of the system.

Return to Play Following Anterior Shoulder Dislocation and Stabilization Surgery.

PubMed

Donohue, Michael A; Owens, Brett D; Dickens, Jonathan F

2016-10-01

Anterior shoulder instability in athletes may lead to time lost from participation and decreases in level of play. Contact, collision, and overhead athletes are at a higher risk than others. Athletes may successfully be returned to play but operative stabilization should be considered for long-term treatment of recurrent instability. Open and arthroscopic stabilization procedures for athletes with less than 20% to 25% bone loss improve return to play rates and decrease recurrent instability, with a slightly lower recurrence with open stabilization. For athletes with greater than 20% to 25% bone loss, an open osseous augmentation procedure should be considered. Published by Elsevier Inc.

Scalar collapse in AdS with an OpenCL open source code

NASA Astrophysics Data System (ADS)

Liebling, Steven L.; Khanna, Gaurav

2017-10-01

We study the spherically symmetric collapse of a scalar field in anti-de Sitter spacetime using a newly constructed, open-source code which parallelizes over heterogeneous architectures using the open standard OpenCL. An open question for this scenario concerns how to tell, a priori, whether some form of initial data will be stable or will instead develop under the turbulent instability into a black hole in the limit of vanishing amplitude. Previous work suggested the existence of islands of stability around quasi-periodic solutions, and we use this new code to examine the stability properties of approximately quasi-periodic solutions which balance energy transfer to higher modes with energy transfer to lower modes. The evolutions provide some evidence, though not conclusively, for stability of initial data sufficiently close to quasiperiodic solutions.

Brooklyn, New York foodscape 2007–2011: a five-year analysis of stability in food retail environments

PubMed Central

2013-01-01

Background Food retail studies have focused on the availability of food stores, and on disparities in food access by neighborhood race and income level. Previous research does not address possible changes in local food environments over time, because little is known about the extent to which food environments fluctuate. Methods Records of stores licensed to sell food with the New York State Department of Agriculture and Markets from 2007–2011 were compared to detect differences in the total number of food stores and supermarkets annually, as well as the total change for the five-year period. Food stores and supermarkets per 10,000 persons were also calculated. Food retail stability – how many individual food stores opened and closed – was also calculated for total stores and supermarkets. All results were stratified by income level and racial characteristics of 2000 Census Bureau census tracts. Results There was an overall increase in all food stores, as well as in supermarkets specifically. However, stability – the proportion of stores that remained open for five years – was greater in higher-wealth and predominantly white areas. Supermarkets remained open in greater proportion than total stores in all racial/ethnic and income areas, but areas with the highest wealth had the greatest supermarket stability. Those areas also had slightly more supermarkets per 10,000 persons, and had no permanent closures of supermarkets. The proportion of new store locations was similar between areas, but lowest-income areas had the greatest proportion of new supermarket locations. Conclusions These data suggest that food retail environments change over short periods of time. Stability of food retail environments varies between neighborhoods by race and income. Fluctuations may need to be studied further to understand their impact on food behaviors and health of residents. Finally, the dynamic nature of food retail environments suggests opportunities for policymakers and community organizations to create programs that promote the availability of healthier foods at the neighborhood level. PMID:23570574

Brooklyn, New York foodscape 2007-2011: a five-year analysis of stability in food retail environments.

PubMed

Filomena, Susan; Scanlin, Kathleen; Morland, Kimberly B

2013-04-09

Food retail studies have focused on the availability of food stores, and on disparities in food access by neighborhood race and income level. Previous research does not address possible changes in local food environments over time, because little is known about the extent to which food environments fluctuate. Records of stores licensed to sell food with the New York State Department of Agriculture and Markets from 2007-2011 were compared to detect differences in the total number of food stores and supermarkets annually, as well as the total change for the five-year period. Food stores and supermarkets per 10,000 persons were also calculated. Food retail stability - how many individual food stores opened and closed - was also calculated for total stores and supermarkets. All results were stratified by income level and racial characteristics of 2000 Census Bureau census tracts. There was an overall increase in all food stores, as well as in supermarkets specifically. However, stability - the proportion of stores that remained open for five years - was greater in higher-wealth and predominantly white areas. Supermarkets remained open in greater proportion than total stores in all racial/ethnic and income areas, but areas with the highest wealth had the greatest supermarket stability. Those areas also had slightly more supermarkets per 10,000 persons, and had no permanent closures of supermarkets. The proportion of new store locations was similar between areas, but lowest-income areas had the greatest proportion of new supermarket locations. These data suggest that food retail environments change over short periods of time. Stability of food retail environments varies between neighborhoods by race and income. Fluctuations may need to be studied further to understand their impact on food behaviors and health of residents. Finally, the dynamic nature of food retail environments suggests opportunities for policymakers and community organizations to create programs that promote the availability of healthier foods at the neighborhood level.

Equilibrium and stability of flow-dominated Plasmas in the Big Red Ball

NASA Astrophysics Data System (ADS)

Siller, Robert; Flanagan, Kenneth; Peterson, Ethan; Milhone, Jason; Mirnov, Vladimir; Forest, Cary

2017-10-01

The equilibrium and linear stability of flow-dominated plasmas are studied numerically using a spectral techniques to model MRI and dynamo experiments in the Big Red Ball device. The equilibrium code solves for steady-state magnetic fields and plasma flows subject to boundary conditions in a spherical domain. It has been benchmarked with NIMROD (non-ideal MHD with rotation - open discussion), Two different flow scenarios are studied. The first scenario creates a differentially rotating toroidal flow that is peaked at the center. This is done to explore the onset of the magnetorotational instability (MRI) in a spherical geometry. The second scenario creates a counter-rotating von Karman-like flow in the presence of a weak magnetic field. This is done to explore the plasma dynamo instability in the limit of a weak applied field. Both scenarios are numerically modeled as axisymmetric flow to create a steady-state equilibrium solution, the stability and normal modes are studied in the lowest toroidal mode number. The details of the observed flow, and the structure of the fastest growing modes will be shown. DoE, NSF.

Structural stability of vault particles.

PubMed

Esfandiary, Reza; Kickhoefer, Valerie A; Rome, Leonard H; Joshi, Sangeeta B; Middaugh, C Russell

2009-04-01

Vaults, at 13 MDa, are the largest ribonucleoprotein particles known. In vitro, expression of the major vault protein (MVP) alone in Sf9 insect cells results in the production of recombinant particles with characteristic vault structure. With the ultimate goal of using recombinant vaults as nanocapsules for the delivery of biomolecules, we have employed a variety of spectroscopic techniques (i.e., circular dichroism, fluorescence spectroscopy, and light scattering) along with electron microscopy, to characterize the structural stability of vaults over a wide range of pH (3-8) and temperature (10-90 degrees C). Ten different conformational states of the vaults were identified over the pH and temperature range studied with the most stable region at pH 6-8 below 40 degrees C and least stable at pH 4-6 above 60 degrees C. A unique intermediate molten globulelike state was also identified at pH 6 and approximately 55 degrees C. EM imaging showed the opening of intact vaults into flowerlike structures when transitioning from neutral to acidic pH. This information has potential use in the development of recombinant vaults into nanocapsules for drug delivery since one mechanism by which therapeutic agents entrapped in vaults could be released is through an opening of the intact vault structure.

Structure and Dynamics of the Membrane-Bound Cytochrome P450 2C9

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cojocaru, Vlad; Balali-Mood, Kia; Sansom, Mark S.

The microsomal, membrane-bound, human cytochrome P450 (CYP) 2C9 is a liver-specific monooxygenase essential for drug metabolism. CYPs require electron transfer from the membrane-bound CYP reductase (CPR) for catalysis. The structural details and functional relevance of the CYP-membrane interaction are not understood. From multiple coarse grained molecular simulations started with arbitrary configurations of protein-membrane complexes, we found two predominant orientations of CYP2C9 in the membrane, both consistent with experiments and conserved in atomic-resolution simulations. The dynamics of membrane-bound and soluble CYP2C9 revealed correlations between opening and closing of different tunnels from the enzyme’s buried active site. The membrane facilitated the openingmore » of a tunnel leading into it by stabilizing the open state of an internal aromatic gate. Other tunnels opened selectively in the simulations of product-bound CYP2C9. We propose that the membrane promotes binding of liposoluble substrates by stabilizing protein conformations with an open access tunnel and provide evidence for selective substrate access and product release routes in mammalian CYPs. The models derived here are suitable for extension to incorporate other CYPs for oligomerization studies or the CYP reductase for studies of the electron transfer mechanism, whereas the modeling procedure is generally applicable to study proteins anchored in the bilayer by a single transmembrane helix.« less

Silver-induced reconstruction of an adeninate-based metal-organic framework for encapsulation of luminescent adenine-stabilized silver clusters.

PubMed

Jonckheere, Dries; Coutino-Gonzalez, Eduardo; Baekelant, Wouter; Bueken, Bart; Reinsch, Helge; Stassen, Ivo; Fenwick, Oliver; Richard, Fanny; Samorì, Paolo; Ameloot, Rob; Hofkens, Johan; Roeffaers, Maarten B J; De Vos, Dirk E

2016-05-21

Bright luminescent silver-adenine species were successfully stabilized in the pores of the MOF-69A (zinc biphenyldicarboxylate) metal-organic framework, starting from the intrinsically blue luminescent bio-MOF-1 (zinc adeninate 4,4'-biphenyldicarboxylate). Bio-MOF-1 is transformed to the MOF-69A framework by selectively leaching structural adenine linkers from the original framework using silver nitrate solutions in aqueous ethanol. Simultaneously, bright blue-green luminescent silver-adenine clusters are formed inside the pores of the recrystallized MOF-69A matrix in high local concentrations. The structural transition and concurrent changes in optical properties were characterized using a range of structural, physicochemical and spectroscopic techniques (steady-state and time-resolved luminescence, quantum yield determination, fluorescence microscopy). The presented results open new avenues for exploring the use of MOFs containing luminescent silver clusters for solid-state lighting and sensor applications.

Marginal states in a cubic autocatalytic reaction

NASA Astrophysics Data System (ADS)

Das, Debojyoti; Ghosh, Pushpita; Ray, Deb Shankar

2011-09-01

Marginal steady state belongs to a special class of states in nonlinear dynamics. To realize this state we consider a cubic autocatalytic reaction A + 2B → 3B in a continuous-stirred-tank-reactor, where the flow rate of the reactant A can be controlled to manipulate the dynamical behavior of the open system. We demonstrate that when the flow rate is weakly noisy the autocatalytic reaction admits of a steady state which is marginal in nature and is surrounded by infinite number of periodic trajectories. When the uncatalyzed reaction A → B is included in the reaction scheme, there exists a marginal steady state which is a critical state corresponding to the point of transition between the flow branch and the equilibrium branch, similar to gas-liquid critical point of transition. This state loses its stability in the weak noise limit.

Operative stabilization of open long bone fractures: A tropical tertiary hospital experience

PubMed Central

Ifesanya, Adeleke O.; Alonge, Temitope O.

2012-01-01

Background: Operative treatment of open fractures in our environment is fraught with problems of availability of theater space, appropriate hardware, and instrumentation such that high complication rates may be expected. Materials and Methods: We evaluated all open long bone fractures operatively stabilized at our center to determine the outcome of the various treatment modalities as well as the determinant factors. Result: A total of 160 patients with 171 fractures treated between December 1995 and December 2008 were studied. There were twice as many males; mean age was 35.0 years. About half were open tibia fractures. Gustilo IIIa and IIIb fractures each accounted for 56 cases (45.2%). Fifty-three percent were stabilized within the first week of injury. Interval between injury and operative fixation averaged 11.1 days. Anderson-Hutchin's technique was employed in 27 cases (21.8%), external fixation in 21 (16.9%), plate osteosynthesis in 50 (40.3%), and intramedullary nail 15 cases (12.1%). Mean time to union was 24.7 weeks. Fifty-two complications occurred in 50 fractures (40.3%) with joint stiffness and chronic osteomyelitis each accounting for a quarter of the complications. Union was delayed in grade IIIb open fractures and those fractures treated with external fixation. Conclusion: A significant proportion of open long bone fractures we operatively treated were severe. Severe open fractures (type IIIb) with concomitant stabilization using external fixation delayed fracture union. While we recommend intramedullary devices for open fractures, in our setting where locking nails are not readily available, external fixation remains the safest choice of skeletal stabilization particularly when contamination is high. PMID:23271839

Thermal Degradation Mechanism of a Thermostable Polyester Stabilized with an Open-Cage Oligomeric Silsesquioxane

PubMed Central

Gozalbo, Ana; Mestre, Sergio; Sanz, Vicente

2017-01-01

A polyester composite was prepared through the polymerization of an unsaturated ester resin with styrene and an open-cage oligomeric silsesquioxane with methacrylate groups. The effect of the open-cage oligomeric silsesquioxane on the thermal stability of the thermostable polyester was studied using both thermogravimetric analysis and differential thermal analysis. The results showed that the methacryl oligomeric silsesquioxane improved the thermal stability of the polyester. The decomposition mechanism of the polyester/oligomer silsesquioxane composite was proposed by Fourier transform infrared spectroscopy (FTIR) analysis of the volatiles. PMID:29295542

Zethrene biradicals: How pro-aromaticity is expressed in the ground electronic state and in the lowest energy singlet, triplet, and ionic states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zafra, José Luis; González Cano, Rafael C.; Ruiz Delgado, M. Carmen

A analysis of the electronic and molecular structures of new molecular materials based on zethrene is presented with particular attention to those systems having a central benzo-quinoidal core able to generate Kekulé biradicals whose stability is provided by the aromaticity recovery in this central unit. These Kekulé biradicals display singlet ground electronic states thanks to double spin polarization and have low-energy lying triplet excited states also featured by the aromaticity gain. Pro-aromatization is also the driving force for the stabilization of the ionized species. Moreover, the low energy lying singlet excited states also display a profound biradical fingerprint allowing tomore » singlet exciton fission. These properties are discussed in the context of the size of the zethrene core and of its substitution. The work encompasses all known long zethrenes and makes use of a variety of experimental techniques, such as Raman, UV-Vis-NIR absorption, transient absorption, in situ spectroelectrochemistry and quantum chemical calculations. This study reveals how the insertion of suitable molecular modules (i.e., quinoidal) opens the door to new intriguing molecular properties exploitable in organic electronics.« less

Conservation of prehistoric caves and stability of their inner climate: lessons from Chauvet and other French caves.

PubMed

Bourges, F; Genthon, P; Genty, D; Lorblanchet, M; Mauduit, E; D'Hulst, D

2014-09-15

In the last 150 years, some prehistoric painted caves suffered irreversible degradations due to misperception of conservation issues and subsequent mismanagement. These sites presented naturally an exceptional stability of their internal climate allowing conservation in situ of outstanding fragile remains, some for nearly 40,000 years. This is for a large part due to exchanges of air, CO2, heat and water with the karstic system in which these caves are included. We introduce the concept of underground confinement, based on the stability of the inner cave climate parameters, especially its temperature. Confined caves present the best conservative properties. It is emphasized that this confined state implies slow exchanges with the surrounding karst and that a stable cave cannot be viewed as a closed system. This is illustrated on four case studies of French caves of various confinement states evidenced by long term continuous monitoring and on strategies to improve their conservation properties. The Chauvet cave presents optimal conservation properties. It is wholly confined as shown by the stability of its internal parameters since its discovery in 1994. In Marsoulas cave, archeological works removed the entrance scree and let a strong opening situation of the decorated zone. Remediation is expected by adding a buffer structure at the entrance. In Pech Merle tourist cave, recurrent painting fading was related to natural seasonal drying of walls. Improvement of the cave closure system restored a confined state insuring optimal visibility of the paintings. In Gargas tourist cave, optimization of closures, lighting system and number of visitors, allowed it to gradually reach a semi-confined state that improved the conservation properties. Conclusions are drawn on the characterization of confinement state of caves and on the ways to improve their conservation properties by restoring their initial regulation mechanisms and to avoid threats to their stability. Copyright © 2013 Elsevier B.V. All rights reserved.

Heme Regulates Allosteric Activation of the Slo1 BK Channel

PubMed Central

Horrigan, Frank T.; Heinemann, Stefan H.; Hoshi, Toshinori

2005-01-01

Large conductance calcium-dependent (Slo1 BK) channels are allosterically activated by membrane depolarization and divalent cations, and possess a rich modulatory repertoire. Recently, intracellular heme has been identified as a potent regulator of Slo1 BK channels (Tang, X.D., R. Xu, M.F. Reynolds, M.L. Garcia, S.H. Heinemann, and T. Hoshi. 2003. Nature. 425:531–535). Here we investigated the mechanism of the regulatory action of heme on heterologously expressed Slo1 BK channels by separating the influences of voltage and divalent cations. In the absence of divalent cations, heme generally decreased ionic currents by shifting the channel's G–V curve toward more depolarized voltages and by rendering the curve less steep. In contrast, gating currents remained largely unaffected by heme. Simulations suggest that a decrease in the strength of allosteric coupling between the voltage sensor and the activation gate and a concomitant stabilization of the open state account for the essential features of the heme action in the absence of divalent ions. At saturating levels of divalent cations, heme remained similarly effective with its influence on the G–V simulated by weakening the coupling of both Ca2+ binding and voltage sensor activation to channel opening. The results thus show that heme dampens the influence of allosteric activators on the activation gate of the Slo1 BK channel. To account for these effects, we consider the possibility that heme binding alters the structure of the RCK gating ring and thereby disrupts both Ca2+- and voltage-dependent gating as well as intrinsic stability of the open state. PMID:15955873

Conformational transitions of uracil transporter UraA from Escherichia coli: a molecular simulation study.

PubMed

Yang, Liu; Yang, Lianjuan; Yu, Hui; Liu, Lu; Zhao, Xi; Huang, Xuri

2017-10-26

The Escherichia coli uracil/H + symporter UraA, known as the representative nucleobase/cation symporter 2(NCS2) protein, gets involved in several crucial physiological processes for most living organisms on Earth, such as the uptake of nucleobases and transport of vitamin C. Some experiments proposed a working model to explain proton-coupling and uracil transporting process of UraA on the basis of the crystal structure of NCS2 protein, but the details of conformational changes remained unknown. Thus, in order to make clear conformational changes caused by the protonation and deprotonation process of some conserved proton-coupled residues, the molecular dynamics simulation was used to study the conformation of UraA complexes in different protonation states. The results demonstrated that the protonation of residue Glu241 and Glu290 resulted in the whole conformational transition from the inward-open to the outward-open state. It can be concluded that Glu290 was crucial in a network of hydrogen-bonds in the middle of the core domain involving another essential residue, mainly including tyr288 in TM8, Tyr342, Ser338 in TM12, and the network of hydrogen-bonds was the key to maintain the stability of conformation. Protonation of Glu290 affects the stability of network of H-bond and changed the domains TM3 TM10 TM12. Thus, Glu290 may play a vital role as a 'proton trigger' that affects spatial structural of amino and residues near substrate binding side leading to an outward-open conformation transition.

The effect of laparotomy and external fixator stabilization on pelvic volume in an unstable pelvic injury.

PubMed

Ghanayem, A J; Wilber, J H; Lieberman, J M; Motta, A O

1995-03-01

Determine if laparotomy further destabilizes an unstable pelvic injury and increases pelvic volume, and if reduction and stabilization restores pelvic volume and prevents volume changes secondary to laparotomy. Cadaveric pelvic fracture model. Unilateral open-book pelvic ring injuries were created in five fresh cadaveric specimens by directly disrupting the pubic symphysis, left sacroliac joint, and sacrospinous and sacrotuberous ligaments. Pelvic volume was determined using computerized axial tomography for the intact pelvis, disrupted pelvis with both a laparotomy incision opened and closed, and disrupted pelvis stabilized and reduced using an external fixator with the laparotomy incision opened. The average volume increase in the entire pelvis (from the top of the iliac crests to the bottom of the ischial tuberosities) between a nonstabilized injury with the abdomen closed and then subsequently opened was 15 +/- 5% (423 cc). The average increase in entire pelvic volume between a stabilized and reduced pelvis and nonstabilized pelvis, both with the abdomen open, was 26 +/- 5% (692 cc). The public diastasis increased from 3.9 to 9.3 cm in a nonstabilized pelvis with the abdomen closed and then subsequently opened. Application of a single-pin anterior-frame external fixator reduced the pubic diastasis anatomically and reduced the average entire and true (from the pelvic brim to the ischeal tuberosities) pelvic volumes to within 3 +/- 4 and 8 +/- 6% of the initial volume, respectively. We believe that the abdominal wall provides stability to an unstable pelvic ring injury via a tension band effect on the iliac wings. Our results demonstrate that a laparotomy further destabilized an open-book pelvic injury and subsequently increased pelvic volume and pubic diastasis. This could potentially increase blood loss from the pelvic injury and delay the tamponade effect of reduction and stabilization. A single-pin external fixator prevents the destabilizing effect of the laparotomy and effectively reduces pelvic volume. These data support reduction and temporary stabilization of unstable pelvic injuries before or concomitantly with laparotomy.

Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates

PubMed Central

Tuszynski, Jack A.; Gallo, Diego; Morbiducci, Umberto; Danani, Andrea

2016-01-01

The Josephin Domain (JD), i.e. the N-terminal domain of Ataxin 3 (At3) protein, is an interesting example of competition between physiological function and aggregation risk. In fact, the fibrillogenesis of Ataxin 3, responsible for the spinocerebbellar ataxia 3, is strictly related to the JD thermodynamic stability. Whereas recent NMR studies have demonstrated that different JD conformations exist, the likelihood of JD achievable conformational states in solution is still an open issue. Marked differences in the available NMR models are located in the hairpin region, supporting the idea that JD has a flexible hairpin in dynamic equilibrium between open and closed states. In this work we have carried out an investigation on the JD conformational arrangement by means of both classical molecular dynamics (MD) and Metadynamics employing essential coordinates as collective variables. We provide a representation of the free energy landscape characterizing the transition pathway from a JD open-like structure to a closed-like conformation. Findings of our in silico study strongly point to the closed-like conformation as the most likely for a Josephin Domain in water. PMID:26745628

Magnetic analytic bond-order potential for modeling the different phases of Mn at zero Kelvin

NASA Astrophysics Data System (ADS)

Drain, John F.; Drautz, Ralf; Pettifor, D. G.

2014-04-01

It is known that while group VII 4d Tc and 5d Re have hexagonally close-packed (hcp) ground states, 3d Mn adopts a complex χ-phase ground state, exhibiting complex noncollinear magnetic ordering. Density functional theory (DFT) calculations have shown that without magnetism, the χ phase is still the ground state of Mn implying that magnetism and the resultant atomic-size difference between large- and small-moment atoms are not the critical factors, as is commonly believed, in driving the anomalous stability of the χ phase over hcp. Using a canonical tight-binding (TB) model, it is found that for a more than half-filled d band, while harder potentials stabilize close-packed hcp, a softer potential stabilizes the more open χ phase. By analogy with the structural trend from open to close-packed phases down the group IV elements, the anomalous stability of the χ phase in Mn is shown to be due to 3d valent Mn lacking d states in the core which leads to an effectively softer atomic repulsion between the atoms than in 4d Tc and 5d Re. Subsequently, an analytic bond-order potential (BOP) is developed to investigate the structural and magnetic properties of elemental Mn at 0 K. It is derived within BOP theory directly from a new short-ranged orthogonal d-valent TB model of Mn, the parameters of which are fitted to reproduce the DFT binding energy curves of the four experimentally observed phases of Mn, namely, α, β, γ, δ, and ɛ-Mn. Not only does the BOP reproduce qualitatively the DFT binding energy curves of the five different structure types, it also predicts the complex collinear antiferromagnetic (AFM) ordering in α-Mn, the ferrimagnetic ordering in β-Mn, and the AFM ordering in γ-, δ-, and ɛ-Mn that are found by DFT. A BOP expansion including 14 moments is sufficiently converged to reproduce most of the properties of the TB model with the exception of the elastic shear constants, which require further moments. The current TB model, however, predicts values of the shear moduli and the vacancy formation energies that are approximately a factor of 2 too small, so that a future more realistic model for MD simulations will require these properties to be included from the outset in the fitting database.

Towards improved solubility of poorly water-soluble drugs: cryogenic co-grinding of piroxicam with carrier polymers.

PubMed

Penkina, Anna; Semjonov, Kristian; Hakola, Maija; Vuorinen, Sirpa; Repo, Timo; Yliruusi, Jouko; Aruväli, Jaan; Kogermann, Karin; Veski, Peep; Heinämäki, Jyrki

2016-01-01

Amorphous solid dispersions (SDs) open up exciting opportunities in formulating poorly water-soluble active pharmaceutical ingredients (APIs). In the present study, novel catalytic pretreated softwood cellulose (CPSC) and polyvinylpyrrolidone (PVP) were investigated as carrier polymers for preparing and stabilizing cryogenic co-ground SDs of poorly water-soluble piroxicam (PRX). CPSC was isolated from pine wood (Pinus sylvestris). Raman and Fourier transform infrared (FTIR) spectroscopy, X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC) were used for characterizing the solid-state changes and drug-polymer interactions. High-resolution scanning electron microscope (SEM) was used to analyze the particle size and surface morphology of starting materials and final cryogenic co-ground SDs. In addition, the molecular aspects of drug-polymer interactions and stabilization mechanisms are presented. The results showed that the carrier polymer influenced both the degree of amorphization of PRX and stabilization against crystallization. The cryogenic co-ground SDs prepared from PVP showed an enhanced dissolution rate of PRX, while the corresponding SDs prepared from CPSC exhibited a clear sustained release behavior. In conclusion, cryogenic co-grinding provides a versatile method for preparing amorphous SDs of poorly water-soluble APIs. The solid-state stability and dissolution behavior of such co-ground SDs are to a great extent dependent on the carrier polymer used.

Slope Stability Analysis of Waste Dump in Sandstone Open Pit Osielec

NASA Astrophysics Data System (ADS)

Adamczyk, Justyna; Cała, Marek; Flisiak, Jerzy; Kolano, Malwina; Kowalski, Michał

2013-03-01

This paper presents the slope stability analysis for the current as well as projected (final) geometry of waste dump Sandstone Open Pit "Osielec". For the stability analysis six sections were selected. Then, the final geometry of the waste dump was designed and the stability analysis was conducted. On the basis of the analysis results the opportunities to improve the stability of the object were identified. The next issue addressed in the paper was to determine the proportion of the mixture containing mining and processing wastes, for which the waste dump remains stable. Stability calculations were carried out using Janbu method, which belongs to the limit equilibrium methods.

Performance evaluation of JRCP with stabilized open-graded drainage course.

DOT National Transportation Integrated Search

2009-08-01

From 1990 to 1995 the department used recycled concrete pavement as open-graded drainage course (OGDC) base : aggregate for thirteen concrete reconstruction projects. Overall, the JRCP projects with coated/stabilized OGDC have : performed very well i...

[Treatment of enteric fistula in open abdomen].

PubMed

Evenson, R A; Fischer, J E

2006-07-01

Formation of enteric fistulas frequently complicates the open abdomen in patients who have sustained traumatic injury. The post-traumatic subset of patients with enterocutaneous fistula enjoy better than average recovery. To optimize this recovery, a systematic management approach is required. Patients must first be stabilized with nutritional support, control of sepsis, and special wound management systems to prevent further deterioration of the abdominal wall. Investigation of the origin, course, and characteristics of the fistula provides information about its likelihood to close without operation. Definitive operative therapy may be necessary to resolve the fistula and close the abdominal wall. Finally, healing support includes nutritional support and physical and occupational therapies to restore patients to pre-injury states.

Annulated Dialkoxybenzenes as Catholyte Materials for Non-aqueous Redox Flow Batteries: Achieving High Chemical Stability through Bicyclic Substitution

DOE PAGES

Zhang, Jingjing; Yang, Zheng; Shkrob, Ilya A.; ...

2017-07-21

1,4-Dimethoxybenzene derivatives are materials of choice for use as catholytes in nonaqueous redox flow batteries, as they exhibit high open-circuit potentials and excellent electrochemical reversibility. However, chemical stability of these materials in their oxidized form needs to be improved. Disubstitution in the arene ring is used to suppress parasitic reactions of their radical cations, but this does not fully prevent ring-addition reactions. By incorporating bicyclic substitutions and ether chains into the dialkoxybenzenes, a novel catholyte molecule, 9,10-bis(2-methoxyethoxy)-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-dimethanenoanthracene (BODMA), is obtained and exhibits greater solubility and superior chemical stability in the charged state. As a result, a hybrid flow cell containingmore » BODMA is operated for 150 charge–discharge cycles with minimal loss of capacity.« less

Low-frequency oscillations in Hall thrusters

NASA Astrophysics Data System (ADS)

Wei, Li-Qiu; Han, Liang; Yu, Da-Ren; Guo, Ning

2015-05-01

In this paper, we summarize the research development of low-frequency oscillations in the last few decades. The findings of physical mechanism, characteristics and stabilizing methods of low-frequency oscillations are discussed. It shows that it is unreasonable and incomplete to model an ionization region separately to analyze the physical mechanism of low-frequency oscillations. Electro-dynamics as well as the formation conditions of ionization distribution play an important role in characteristics and stabilizing of low-frequency oscillations. Understanding the physical mechanism and characteristics of low- frequency oscillations thoroughly and developing a feasible method stabilizing this instability are still important research subjects. Project supported by the National Natural Science Foundation of China (Grant No. 51477035), the Fundamental Research Funds for the Central Universities, China (Grant No. HIT.NSRIF 2015064), and the Open Research Fund Program of State Key Laboratory of Cryogenic Vacuum Technology and Physics, China (Grant No. ZDK201304).

A generic interface to reduce the efficiency-stability-cost gap of perovskite solar cells

NASA Astrophysics Data System (ADS)

Hou, Yi; Du, Xiaoyan; Scheiner, Simon; McMeekin, David P.; Wang, Zhiping; Li, Ning; Killian, Manuela S.; Chen, Haiwei; Richter, Moses; Levchuk, Ievgen; Schrenker, Nadine; Spiecker, Erdmann; Stubhan, Tobias; Luechinger, Norman A.; Hirsch, Andreas; Schmuki, Patrik; Steinrück, Hans-Peter; Fink, Rainer H.; Halik, Marcus; Snaith, Henry J.; Brabec, Christoph J.

2017-12-01

A major bottleneck delaying the further commercialization of thin-film solar cells based on hybrid organohalide lead perovskites is interface loss in state-of-the-art devices. We present a generic interface architecture that combines solution-processed, reliable, and cost-efficient hole-transporting materials without compromising efficiency, stability, or scalability of perovskite solar cells. Tantalum-doped tungsten oxide (Ta-WOx)/conjugated polymer multilayers offer a surprisingly small interface barrier and form quasi-ohmic contacts universally with various scalable conjugated polymers. In a simple device with regular planar architecture and a self-assembled monolayer, Ta-WOx-doped interface-based perovskite solar cells achieve maximum efficiencies of 21.2% and offer more than 1000 hours of light stability. By eliminating additional ionic dopants, these findings open up the entire class of organics as scalable hole-transporting materials for perovskite solar cells.

pH-induced conformational changes in human ABO(H) blood group glycosyltransferases confirm the importance of electrostatic interactions in the formation of the semi-closed state.

PubMed

Johal, Asha R; Blackler, Ryan J; Alfaro, Javier A; Schuman, Brock; Borisova, Svetlana; Evans, Stephen V

2014-03-01

The homologous human ABO(H) A and B blood group glycosyltransferases GTA and GTB have two mobile polypeptide loops surrounding their active sites that serve to allow substrate access and product egress and to recognize and sequester substrates for catalysis. Previous studies have established that these enzymes can move from the "open" state to the "semi-closed" then "closed" states in response to addition of a substrate. The contribution of electrostatic interactions to these conformational changes has now been demonstrated by the determination at various pH of the structures of GTA, GTB and the chimeric enzyme ABBA. At near-neutral pH, GTA displays the closed state in which both mobile loops order around the active site, whereas ABBA and GTB display the open state. At low pH, the apparent protonation of the DXD motif in GTA leads to the expulsion of the donor analog to yield the open state, whereas at high pH, both ABBA and GTB form the semi-closed state in which the first mobile loop becomes an ordered α-helix. Step-wise deprotonation of GTB in increments of 0.5 between pH 6.5 and 10.0 shows that helix ordering is gradual, which indicates that the formation of the semi-closed state is dependent on electrostatic forces consistent with the binding of substrate. Spectropolarimetric studies of the corresponding stand-alone peptide in solution reveal no tendency toward helix formation from pH 7.0 to 10.0, which shows that pH-dependent stability is a product of the larger protein environment and underlines the importance of substrate in active site ordering.

Flexible Supercapacitors Based on Polyaniline Arrays Coated Graphene Aerogel Electrodes

NASA Astrophysics Data System (ADS)

Yang, Yu; Xi, Yunlong; Li, Junzhi; Wei, Guodong; Klyui, N. I.; Han, Wei

2017-06-01

Flexible supercapacitors(SCs) made by reduced graphene oxide (rGO)-based aerogel usually suffer from the low energy density, short cycle life and bad flexibility. In this study, a new, synthetic strategy was developed for enhancing the electrochemical performances of rGO aerogel-based supercapacitor via electrodeposition polyaniline arrays on the prepared ultralight rGO aerogel. The novel hybrid composites with coated polyaniline (PANI) arrays growing on the rGO surface can take full advantage of the rich open-pore and excellent conductivity of the crosslinking framework structure of 3D rGO aerogel and high capacitance contribution from the PANI. The obtained hybrid composites exhibit excellent electrochemical performance with a specific capacitance of 432 F g-1 at the current density of 1 A g-1, robust cycling stability to maintain 85% after 10,000 charge/discharge cycles and high energy density of 25 W h kg-1. Furthermore, the flexible all-solid-state supercapacitor have superior flexibility and outstanding stability under different bending states from the straight state to the 90° status. The high-performance flexible all-solid-state SCs together with the lighting tests demonstrate it possible for applications in portable electronics.

Stabilization of photon collapse and revival dynamics by a non-Markovian phonon bath

NASA Astrophysics Data System (ADS)

Carmele, Alexander; Knorr, Andreas; Milde, Frank

2013-10-01

Solid state-based light emitters such as semiconductor quantum dots (QDs) have been demonstrated to be versatile candidates to study the fundamentals of light-matter interaction. In contrast to optics with isolated atomic systems, in the solid-state dissipative processes are induced by the inherent coupling to the environment and are typically perceived as a major obstacle toward stable performances in experiments and applications. In this theoretical model study we show that this is not necessarily the case. In fact, in certain parameter regimes, the memory of the solid-state environment can enhance coherent quantum optical effects. In particular, we demonstrate that the non-Markovian coupling to an incoherent phonon bath can exhibit a stabilizing effect on the coherent QD cavity-quantum electrodynamics by inhibiting irregular oscillations and allowing for regular collapse and revival patterns. For self-assembled GaAs/InAs QDs at low photon numbers we predict dynamics that deviate dramatically from the well-known atomic Jaynes-Cummings model. Even if the required sample parameters are not yet available in recent experimental achievements, we believe our proposal opens the way to a systematic and deliberate design of photon quantum effects via specifically engineered solid-state environments.

Flexible Supercapacitors Based on Polyaniline Arrays Coated Graphene Aerogel Electrodes.

PubMed

Yang, Yu; Xi, Yunlong; Li, Junzhi; Wei, Guodong; Klyui, N I; Han, Wei

2017-12-01

Flexible supercapacitors(SCs) made by reduced graphene oxide (rGO)-based aerogel usually suffer from the low energy density, short cycle life and bad flexibility. In this study, a new, synthetic strategy was developed for enhancing the electrochemical performances of rGO aerogel-based supercapacitor via electrodeposition polyaniline arrays on the prepared ultralight rGO aerogel. The novel hybrid composites with coated polyaniline (PANI) arrays growing on the rGO surface can take full advantage of the rich open-pore and excellent conductivity of the crosslinking framework structure of 3D rGO aerogel and high capacitance contribution from the PANI. The obtained hybrid composites exhibit excellent electrochemical performance with a specific capacitance of 432 F g -1 at the current density of 1 A g -1 , robust cycling stability to maintain 85% after 10,000 charge/discharge cycles and high energy density of 25 W h kg -1 . Furthermore, the flexible all-solid-state supercapacitor have superior flexibility and outstanding stability under different bending states from the straight state to the 90° status. The high-performance flexible all-solid-state SCs together with the lighting tests demonstrate it possible for applications in portable electronics.

Enlightened Multiscale Simulation of Biochemical Networks. Core Theory, Validating Experiments, and Implementation in Open Software

DTIC Science & Technology

2006-10-01

organisms that can either be in the lysogenic (latent) or lytic (active) state. If following its infection of E . coli , the λ-phage virus enters the...and unfolded proteins (b) in the heat shock response system . . . . . 31 3 Robust stability of the model of Heat Shock in E - coli ...stochastic reachability analysis, all in the context of two biologically motivated and functionally important systems: the heat shock response in E . coli and

Method to control deposition rate instabilities—High power impulse magnetron sputtering deposition of TiO{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kossoy, Anna, E-mail: annaeden@hi.is, E-mail: anna.kossoy@gmail.com; Magnusson, Rögnvaldur L.; Tryggvason, Tryggvi K.

2015-03-15

The authors describe how changes in shutter state (open/closed) affect sputter plasma conditions and stability of the deposition rate of Ti and TiO{sub 2} films. The films were grown by high power impulse magnetron sputtering in pure Ar and in Ar/O{sub 2} mixture from a metallic Ti target. The shutter state was found to have an effect on the pulse waveform for both pure Ar and reactive sputtering of Ti also affecting stability of TiO{sub 2} deposition rate. When the shutter opened, the shape of pulse current changed from rectangular to peak-plateau and pulse energy decreased. The authors attribute itmore » to the change in plasma impedance and gas rarefaction originating in geometry change in front of the magnetron. TiO{sub 2} deposition rate was initially found to be high, 1.45 Å/s, and then dropped by ∼40% during the first 5 min, while for Ti the change was less obvious. Instability of deposition rate poses significant challenge for growing multilayer heterostructures. In this work, the authors suggest a way to overcome this by monitoring the integrated average energy involved in the deposition process. It is possible to calibrate and control the film thickness by monitoring the integrated pulse energy and end growth when desired integrated pulse energy level has been reached.« less

Subjective age and personality development: a 10-year study.

PubMed

Stephan, Yannick; Sutin, Angelina R; Terracciano, Antonio

2015-04-01

Personality theory and research typically focus on chronological age as a key indicator of personality development. This study examines whether the subjective experience of age is an alternative marker of the biomedical and psychosocial factors that contribute to individual differences in personality development. The present study uses data from the Midlife in the United States longitudinal survey (N = 3,617) to examine how subjective age is associated with stability and change in personality and the dynamic associations between subjective age and personality traits over a 10-year period. Regression analyses indicated that a younger subjective age at baseline was associated with increases in Openness, Conscientiousness, and Agreeableness; correlated changes were also found. The rank-order stability of Extraversion and Openness and overall profile consistency were higher among those with a younger subjective age at baseline and were also associated with the rate of subjective aging over time. The present study reveals that beyond chronological age, the age an individual feels is related to changes in characteristic ways of thinking, feeling, and behaving over time. © 2014 Wiley Periodicals, Inc.

Novel thixotropic gel electrolytes based on dicationic bis-imidazolium salts for quasi-solid-state dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Kim, Jun Young; Kim, Tae Ho; Kim, Dong Young; Park, Nam-Gyu; Ahn, Kwang-Duk

Novel thixotropic gel electrolytes have been successfully prepared by utilizing oligomeric poly(ethylene oxide) (PEO)-based bis-imidazolium diiodide salts and hydrophilic silica nanoparticles for application in quasi-solid-state dye-sensitized solar cells (DSSCs). The thixotropic gel-state of the ionic liquid-based composite electrolytes is confirmed by observing the typical hysteresis loop and temporary hydrogen bonding. On using the PEO-based composite electrolyte, a quasi-solid-state DSSC exhibited highly improved properties such as easy penetration of the electrolyte into the cell without leakage, long-term stability, high open-circuit voltage without the use of 4- tert-butylpyridine, and a high energy-conversion efficiency of 5.25% under AM 1.5 illumination (100 mW cm -2).

Inner edge magnetisms in carbon honeycombs

NASA Astrophysics Data System (ADS)

Liu, Xiaofei; Guo, Wanlin

2018-04-01

We show by comprehensive ab initio calculations that sp2 carbon honeycombs recently synthesised by Krainyukova et al. [Phys. Rev. Lett. 116, 055501 (2016)] exhibit antiferromagnetism, not only at the inner edge of the zigzag ribbon component but also at the chain of sp2 carbon that joins three zigzag ribbons. The π antiferromagnetism at the joint chain has spin orientations that alternatively change along the axis and stems from a super-exchange mechanism. Along with the spin-polarization, the joint chain conduction channel opens an energy gap. The spin-polarization of the zigzag edge due to the magnetic instability of the localized edge states is less stable in energy. Through hole doping, the zigzag edge antiferromagnetism is enhanced and stabilized as the magnetic ground state, along with the re-opening of the joint chain conduction channel. When the carbon honeycombs are reconstructed into sp3-sp2 hybrid honeycombs, the π states of the joint are diminished, but the zigzag edge magnetism is preserved. Our results propose carbon honeycombs as novel magnetic carbon with competing polarization configurations.

The nucleotide-free state of heterotrimeric G proteins α-subunit adopts a highly stable conformation.

PubMed

Andhirka, Sai Krishna; Vignesh, Ravichandran; Aradhyam, Gopala Krishna

2017-08-01

Deciphering the mechanism of activation of heterotrimeric G proteins by their cognate receptors continues to be an intriguing area of research. The recently solved crystal structure of the ternary complex captured the receptor-bound α-subunit in an open conformation, without bound nucleotide has improved our understanding of the activation process. Despite these advancements, the mechanism by which the receptor causes GDP release from the α-subunit remains elusive. To elucidate the mechanism of activation, we studied guanine nucleotide-induced structural stability of the α-subunit (in response to thermal/chaotrope-mediated stress). Inherent stabilities of the inactive (GDP-bound) and active (GTP-bound) forms contribute antagonistically to the difference in conformational stability whereas the GDP-bound protein is able to switch to a stable intermediate state, GTP-bound protein loses this ability. Partial perturbation of the protein fold reveals the underlying influence of the bound nucleotide providing an insight into the mechanism of activation. An extra stable, pretransition intermediate, 'empty pocket' state (conformationally active-state like) in the unfolding pathway of GDP-bound protein mimics a gating system - the activation process having to overcome this stable intermediate state. We demonstrate that a relatively more complex conformational fold of the GDP-bound protein is at the core of the gating system. We report capturing this threshold, 'metastable empty pocket' conformation (the gate) of α-subunit of G protein and hypothesize that the receptor activates the G protein by enabling it to achieve this structure through mild structural perturbation. © 2017 Federation of European Biochemical Societies.

HIV-1 Env trimer opens through an asymmetric intermediate in which individual protomers adopt distinct conformations.

PubMed

Ma, Xiaochu; Lu, Maolin; Gorman, Jason; Terry, Daniel S; Hong, Xinyu; Zhou, Zhou; Zhao, Hong; Altman, Roger B; Arthos, James; Blanchard, Scott C; Kwong, Peter D; Munro, James B; Mothes, Walther

2018-03-21

HIV-1 entry into cells requires binding of the viral envelope glycoprotein (Env) to receptor CD4 and coreceptor. Imaging of individual Env molecules on native virions shows Env trimers to be dynamic, spontaneously transitioning between three distinct well-populated conformational states: a pre-triggered Env (State 1), a default intermediate (State 2) and a three-CD4-bound conformation (State 3), which can be stabilized by binding of CD4 and coreceptor-surrogate antibody 17b. Here, using single-molecule Fluorescence Resonance Energy Transfer (smFRET), we show the default intermediate configuration to be asymmetric, with individual protomers adopting distinct conformations. During entry, this asymmetric intermediate forms when a single CD4 molecule engages the trimer. The trimer can then transition to State 3 by binding additional CD4 molecules and coreceptor.

Encoding quantum information in a stabilized manifold of a superconducting cavity

NASA Astrophysics Data System (ADS)

Touzard, S.; Leghtas, Z.; Mundhada, S. O.; Axline, C.; Reagor, M.; Chou, K.; Blumoff, J.; Sliwa, K. M.; Shankar, S.; Frunzio, L.; Schoelkopf, R. J.; Mirrahimi, M.; Devoret, M. H.

In a superconducting Josephson circuit architecture, we activate a multi-photon process between two modes by applying microwave drives at specific frequencies. This creates a pairwise exchange of photons between a high-Q cavity and the environment. The resulting open dynamical system develops a two-dimensional quasi-energy ground state manifold. Can we encode, protect and manipulate quantum information in this manifold? We experimentally investigate the convergence and escape rates in and out of this confined subspace. Finally, using quantum Zeno dynamics, we aim to perform gates which maintain the state in the protected manifold at all times. Work supported by: ARO, ONR, AFOSR and YINQE.

Wind-Tunnel Investigation of the Opening Characteristics, Drag, and Stability of Several Hemispherical Parachutes

NASA Technical Reports Server (NTRS)

Scher, Stanley E.; Gale, Lawrence J.

1948-01-01

An investigation has been conducted to determine the opening characteristics of several hemispherical parachutes and to study the influence of the parachute design variables on these opening characteristics. The effects of design variables on the drag and stability characteristics of the parachutes were also evaluated. The tests were made in the Langley 20-foot free-spinning tunnel and in the Langley 300 MPH 7 by 10-foot tunnel.

Dynamic control of metastable remanent states in mesoscale magnetic elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, J.; Jain, S.; Pearson, J. E.

2015-05-07

The formation of the vortex-antivortex-vortex (v-av-v) metastable remanent states in elongated magnetic elements have been systematically investigated using micromagnetic modeling. It is demonstrated that the v-av-v magnetization pattern can be effectively stabilized by exciting the single vortex state with an external RF field. Furthermore, we show that a set of different polarity combinations of the vortex cores can be achieved by adjusting the frequency and amplitude of the excitation field. The corresponding dynamic response in time- and frequency-domain has also been presented. Owing to the diversity of the collective modes with different vortex-antivortex combinations, this system may open promising perspectivesmore » in the area of spin transfer torque oscillators.« less

Analysis of complications and perioperative data after open or percutaneous dorsal instrumentation following traumatic spinal fracture of the thoracic and lumbar spine: a retrospective cohort study including 491 patients.

PubMed

Kreinest, Michael; Rillig, Jan; Grützner, Paul A; Küffer, Maike; Tinelli, Marco; Matschke, Stefan

2017-05-01

The aim of the current study is to analyze perioperative data and complications of open vs. percutaneous dorsal instrumentation after dorsal stabilization in patients suffering from fractures of the thoracic or lumbar spine. In the time period from 01/2007 to 06/2009, open surgical approach was used for dorsal stabilization. The percutaneous surgical approach was used from 05/2009 to 03/2014. In every time period, all types of fractures were treated only by open or by percutaneous approach, respectively, to avoid any selection bias. Retrospectively, epidemiological data, complications and perioperative data were documented and statistically analyzed. A total of 491 patients met the inclusion criteria. Open surgery procedure was carried out on 169 patients, and percutaneous surgery procedure was carried out on 322 patients. Fracture level ranged from T1 to L5, and fractures were classified types A, B, and C. In 91.4% of all patients, no complication occured following dorsal stabilization after traumatic spine fracture during their hospital stay. However, 42 complications related to dorsal stabilization have been documented during the hospital stay. The complication rate was 14.8% if open surgical approach has been used and was significantly reduced to 5.3% using percutaneous surgical approach. Post-operative hospital stay was also reduced significantly using the percutaneous surgical approach. According to the current study, percutaneous dorsal stabilization of the spine could also be safely used in trauma cases and is not restricted to degenerative spinal surgery.

Dynamics of protein-protein interactions at the MscL periplasmic-lipid interface.

PubMed

Zhong, Dalian; Yang, Li-Min; Blount, Paul

2014-01-21

MscL, the highly conserved bacterial mechanosensitive channel of large conductance, is one of the best studied mechanosensors. It is a homopentameric channel that serves as a biological emergency release valve that prevents cell lysis from acute osmotic stress. We previously showed that the periplasmic region of the protein, particularly a single residue located at the TM1/periplasmic loop interface, F47 of Staphylococcus aureus and I49 of Escherichia coli MscL, plays a major role in both the open dwell time and mechanosensitivity of the channel. Here, we introduced cysteine mutations at these sites and found they formed disulfide bridges that decreased the channel open dwell time. By scanning a likely interacting domain, we also found that these sites could be disulfide trapped by addition of cysteine mutations in other locations within the periplasmic loop of MscL, and this also led to rapid channel kinetics. Together, the data suggest structural rearrangements and protein-protein interactions that occur within this region upon normal gating, and further suggest that locking portions of the channel into a transition state decreases the stability of the open state. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

X-ray structure of the mammalian GIRK2-βγ G-protein complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whorton, Matthew R.; MacKinnon, Roderick

2013-07-30

G-protein-gated inward rectifier K + (GIRK) channels allow neurotransmitters, through G-protein-coupled receptor stimulation, to control cellular electrical excitability. In cardiac and neuronal cells this control regulates heart rate and neural circuit activity, respectively. Here we present the 3.5Å resolution crystal structure of the mammalian GIRK2 channel in complex with βγ G-protein subunits, the central signalling complex that links G-protein-coupled receptor stimulation to K + channel activity. Short-range atomic and long-range electrostatic interactions stabilize four βγ G-protein subunits at the interfaces between four K + channel subunits, inducing a pre-open state of the channel. The pre-open state exhibits a conformation thatmore » is intermediate between the closed conformation and the open conformation of the constitutively active mutant. The resultant structural picture is compatible with ‘membrane delimited’ activation of GIRK channels by G proteins and the characteristic burst kinetics of channel gating. The structures also permit a conceptual understanding of how the signalling lipid phosphatidylinositol-4,5-bisphosphate (PIP 2) and intracellular Na + ions participate in multi-ligand regulation of GIRK channels.« less

Using Local Perturbations To Manipulate and Control Pointer States in Quantum Dot Systems

NASA Astrophysics Data System (ADS)

Akis, Richard; Speyer, Gil; Ferry, David; Brunner, Roland

2012-02-01

Recently, scanning gate microscopy (SGM) was used to image scarred wave functions in an open InAs quantum dot[1]. The SGM tip provides a local potential perturbation and imaging is performed by measuring changes in conductance. Scarred wave functions, long associated with quantum chaos, have been shown in open dots to correspond to pointer states[2], eigenstates that survive the decoherence process that occurs via coupling to the environment. Pointer states modulate the conductance, yielding periodic fluctuations and the scars, normally thought unstable, are stabilized by quantum Darwinism [3]. We shall show that, beyond probing, pointer states can be manipulated by local perturbations. Particularly interesting effects occur in coupled quantum dot arrays, where a pointer state localized in one dot can be shifted over into another with a perturbation in a completely different part of the system. These nonlocal effects may perhaps be exploited to give such systems an exotic functionality. [1] A. M. Burke, R. Akis, T. E. Day, Gil Speyer, D. K. Ferry, and B. R. Bennett, Phys. Rev. Lett. 104, 176801 (2010). [2] D. K. Ferry, R. Akis, and J. P. Bird, Phys. Rev. Lett. 104, 176801 (2004). [3] R. Brunner, R. Akis,D. K. Ferry, F. Kuchar,and R. Meisels, Phys. Rev. Lett. 101, 024102 (2008).

Post-Translational Phosphorylation of Serine 74 of Human Deoxycytidine Kinase Favors the Enzyme Adopting the Open Conformation Making It Competent for Nucleoside Binding and Release

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hazra, Saugata; Szewczak, Andrzej; Ort, Stephan

2012-03-26

Deoxycytidine kinase (dCK) uses either ATP or UTP as a phosphoryl donor to catalyze the phosphorylation of nucleoside acceptors. The kinetic properties of human dCK are modulated in vivo by phosphorylation of serine 74. This residue is a part of the insert region and is distant from the active site. Replacing the serine with a glutamic acid (S74E variant) can mimic phosphorylation of Ser74. To understand how phosphorylation affects the catalytic properties of dCK, we examined the S74E variant of dCK both structurally and kinetically. We observe that the presence of a glutamic acid at position 74 favors the adoptionmore » by the enzyme of the open conformation. Glu74 stabilizes the open conformation by directly interacting with the indole side chain of Trp58, a residue that is in the proximity of the base of the nucleoside substrate. The open dCK conformation is competent for the binding of nucleoside but not for phosphoryl transfer. In contrast, the closed conformation is competent for phosphoryl transfer but not for product release. Thus, dCK must make the transition between the open and closed states during the catalytic cycle. We propose a reaction scheme for dCK that incorporates the transition between the open and closed states, and this serves to rationalize the observed kinetic differences between wild-type dCK and the S74E variant.« less

Analogues as a check of predicted drift stability at Yucca Mountain, Nevada

USGS Publications Warehouse

Stuckless, J.S.

2006-01-01

Calculations made by the U.S. Department of Energy's Yucca Mountain Project as part of the licensing of a proposed geologic repository in southwestern Nevada for the disposal of high-level radioactive waste, predict that emplacement tunnels will remain open with little collapse long after ground support has disintegrated. This conclusion includes the effects of anticipated seismic events. Natural analogues cannot provide a quantitative test of this conclusion, but they can provide a reasonableness test by examining the naturally occuring and anthropogenic examples of stability of subterranean openings. Available data from a variety of sources, combined with limited observations by the author, show that natural underground openings tend to resist collapse for millions of years and that anthropogenic subterranean openings have remained open from before recorded history through today. This stability is true even in seismically active areas. In fact, the archaeological record is heavily skewed toward preservation of underground structures relative to those found at the surface.

Quantum theory of open systems based on stochastic differential equations of generalized Langevin (non-Wiener) type

NASA Astrophysics Data System (ADS)

Basharov, A. M.

2012-09-01

It is shown that the effective Hamiltonian representation, as it is formulated in author's papers, serves as a basis for distinguishing, in a broadband environment of an open quantum system, independent noise sources that determine, in terms of the stationary quantum Wiener and Poisson processes in the Markov approximation, the effective Hamiltonian and the equation for the evolution operator of the open system and its environment. General stochastic differential equations of generalized Langevin (non-Wiener) type for the evolution operator and the kinetic equation for the density matrix of an open system are obtained, which allow one to analyze the dynamics of a wide class of localized open systems in the Markov approximation. The main distinctive features of the dynamics of open quantum systems described in this way are the stabilization of excited states with respect to collective processes and an additional frequency shift of the spectrum of the open system. As an illustration of the general approach developed, the photon dynamics in a single-mode cavity without losses on the mirrors is considered, which contains identical intracavity atoms coupled to the external vacuum electromagnetic field. For some atomic densities, the photons of the cavity mode are "locked" inside the cavity, thus exhibiting a new phenomenon of radiation trapping and non-Wiener dynamics.

Using lidocaine and benzocaine to link sodium channel molecular conformations to state-dependent antiarrhythmic drug affinity.

PubMed

Hanck, Dorothy A; Nikitina, Elena; McNulty, Megan M; Fozzard, Harry A; Lipkind, Gregory M; Sheets, Michael F

2009-08-28

Lidocaine and other antiarrhythmic drugs bind in the inner pore of voltage-gated Na channels and affect gating use-dependently. A phenylalanine in domain IV, S6 (Phe1759 in Na(V)1.5), modeled to face the inner pore just below the selectivity filter, is critical in use-dependent drug block. Measurement of gating currents and concentration-dependent availability curves to determine the role of Phe1759 in coupling of drug binding to the gating changes. The measurements showed that replacement of Phe1759 with a nonaromatic residue permits clear separation of action of lidocaine and benzocaine into 2 components that can be related to channel conformations. One component represents the drug acting as a voltage-independent, low-affinity blocker of closed channels (designated as lipophilic block), and the second represents high-affinity, voltage-dependent block of open/inactivated channels linked to stabilization of the S4s in domains III and IV (designated as voltage-sensor inhibition) by Phe1759. A homology model for how lidocaine and benzocaine bind in the closed and open/inactivated channel conformation is proposed. These 2 components, lipophilic block and voltage-sensor inhibition, can explain the differences in estimates between tonic and open-state/inactivated-state affinities, and they identify how differences in affinity for the 2 binding conformations can control use-dependence, the hallmark of successful antiarrhythmic drugs.

The role of entropic potential in voltage activation and K+ transport through Kv 1.2 channels

NASA Astrophysics Data System (ADS)

Wawrzkiewicz-Jałowiecka, Agata; Grzywna, Zbigniew J.

2018-03-01

We analyze the entropic effects of inner pore geometry changes of Kv 1.2 channel during membrane depolarization and their implications for the rate of transmembrane transport of potassium ions. We base this on the idea that spatial confinements within the channel pore give rise to entropic barriers which can both effectively affect the stability of open macroconformation and influence channel's ability to conduct the potassium ions through the membrane. First, we calculate the differences in entropy between voltage-activated and resting states of the channel. As a template, we take a set of structures of channel pore in an open state at different membrane potentials generated in our previous research. The obtained results indicate that tendency to occupy open states at membrane depolarization is entropy facilitated. Second, we describe the differences in rates of K+ transport through the channel pore at different voltages based on the results of appropriate random walk simulations in entropic and electric potentials. The simulated single channel currents (I) suggest that the geometry changes during membrane depolarization are an important factor contributing to the observed flow of potassium ions through the channel. Nevertheless, the charge distribution within the channel pore (especially at the extracellular entrance) seems most prominent for the observed I/Imax relation at a qualitative level at analyzed voltages.

Towards a rechargeable alcohol biobattery

NASA Astrophysics Data System (ADS)

Addo, Paul K.; Arechederra, Robert L.; Minteer, Shelley D.

This research focused on the transition of biofuel cell technology to rechargeable biobatteries. The bioanode compartment of the biobattery consisted of NAD-dependent alcohol dehydrogenase (ADH) immobilized into a carbon composite paste with butyl-3-methylimidazolium chloride (BMIMCl) ionic liquid serving as the electrolyte. Ferrocene was added to shuttle electrons to/from the electrode surface/current collector. The bioanode catalyzed the oxidation of ethanol to acetaldehyde in discharge mode. This bioanode was coupled to a cathode that consisted of Prussian Blue in a carbon composite paste with Nafion 212 acting as the separator between the two compartments. The biobattery can be fabricated in a charged mode with ethanol and have an open circuit potential of 0.8 V in the original state prior to charging or in the discharged mode with acetaldehyde and have an open circuit potential of 0.05 V. After charging it has an open circuit potential of 1.2 V and a maximum power density of 13.0 μW cm -3 and a maximum current density of 35.0 μA cm -3, respectively. The stability and efficiency of the biobattery were studied by cycling continuously at a discharging current of 0.4 mA and the results obtained showed reasonable stability over 50 cycles. This is a new type of secondary battery inspired by the metabolic processes of the living cell, which is an effective energy conversion system.

Analysis of a dynamic model of guard cell signaling reveals the stability of signal propagation

NASA Astrophysics Data System (ADS)

Gan, Xiao; Albert, RéKa

Analyzing the long-term behaviors (attractors) of dynamic models of biological systems can provide valuable insight into biological phenotypes and their stability. We identified the long-term behaviors of a multi-level, 70-node discrete dynamic model of the stomatal opening process in plants. We reduce the model's huge state space by reducing unregulated nodes and simple mediator nodes, and by simplifying the regulatory functions of selected nodes while keeping the model consistent with experimental observations. We perform attractor analysis on the resulting 32-node reduced model by two methods: 1. converting it into a Boolean model, then applying two attractor-finding algorithms; 2. theoretical analysis of the regulatory functions. We conclude that all nodes except two in the reduced model have a single attractor; and only two nodes can admit oscillations. The multistability or oscillations do not affect the stomatal opening level in any situation. This conclusion applies to the original model as well in all the biologically meaningful cases. We further demonstrate the robustness of signal propagation by showing that a large percentage of single-node knockouts does not affect the stomatal opening level. Thus, we conclude that the complex structure of this signal transduction network provides multiple information propagation pathways while not allowing extensive multistability or oscillations, resulting in robust signal propagation. Our innovative combination of methods offers a promising way to analyze multi-level models.

Theoretical and Numerical Investigations on Shallow Tunnelling in Unsaturated Soils

NASA Astrophysics Data System (ADS)

Soranzo, Enrico; Wu, Wei

2013-04-01

Excavation of shallow tunnels with the New Austrian Tunnelling Method (NATM) requires proper assessing of the tunnel face stability, to enable an open-face excavation, and the estimation of the correspondent surface settlements. Soils in a partially saturated condition exhibit a higher cohesion than in a fully saturated state, which can be taken into account when assessing the stability of the tunnel face. For the assessment of the face support pressure, different methods are used in engineering practice, varying from simple empirical and analytical formulations to advanced finite element analysis. Such procedures can be modified to account for the unsaturated state of soils. In this study a method is presented to incorporate the effect of partial saturation in the numerical analysis. The results are then compared with a simple analytical formulation derived from parametric studies. As to the numerical analysis, the variation of cohesion and of Young's modulus with saturation can be considered when the water table lies below the tunnel in a soil exhibiting a certain capillary rise, so that the tunnel is driven in a partially saturated layer. The linear elastic model with Mohr-Coulomb failure criterion can be extended to partially saturated states and calibrated with triaxial tests on unsaturated. In order to model both positive and negative pore water pressure (suction), Bishop's effective stress is incorporated into Mohr-Coulomb's failure criterion. The effective stress parameter in Bishop's formulation is related to the degree of saturation as suggested by Fredlund. If a linear suction distribution is assumed, the degree of saturation can be calculated from the Soil Water Characteristic Curve (SWCC). Expressions exist that relate the Young's modulus of unsaturated soils to the net mean stress and the matric suction. The results of the numerical computation can be compared to Vermeer & Ruse's closed-form formula that expresses the limit support pressure of the tunnel face. The expression is derived from parametric studies and predicts stability of the tunnel face when negative values are returned, suggesting that open-face tunnelling can be performed. The formula can be modified to account for the variation of cohesion along the tunnel face. The results obtained from both the numerical analysis and the analytical formulation are well in agreement and show that the stability of the tunnel face can greatly benefit from the enhanced cohesion of partially saturated soils.

Calcium Sensing by Recoverin: Effect of Protein Conformation on Ion Affinity.

PubMed

Timr, Štěpán; Kadlec, Jan; Srb, Pavel; Ollila, O H Samuli; Jungwirth, Pavel

2018-04-05

The detailed functional mechanism of recoverin, which acts as a myristoyl switch at the rod outer-segment disk membrane, is elucidated by direct and replica-exchange molecular dynamics. In accord with NMR structural evidence and calcium binding assays, simulations point to the key role of enhanced calcium binding to the EF3 loop of the semiopen state of recoverin as compared to the closed state. This 2-4-order decrease in calcium dissociation constant stabilizes the semiopen state in response to the increase of cytosolic calcium concentration in the vicinity of recoverin. A second calcium ion then binds to the EF2 loop and, consequently, the structure of the protein changes from the semiopen to the open state. The latter has the myristoyl chain extruded to the cytosol, ready to act as a membrane anchor of recoverin.

Intermediate closed state for glycine receptor function revealed by cysteine cross-linking.

PubMed

Prevost, Marie S; Moraga-Cid, Gustavo; Van Renterghem, Catherine; Edelstein, Stuart J; Changeux, Jean-Pierre; Corringer, Pierre-Jean

2013-10-15

Pentameric ligand-gated ion channels (pLGICs) mediate signal transmission by coupling the binding of extracellular ligands to the opening of their ion channel. Agonist binding elicits activation and desensitization of pLGICs, through several conformational states, that are, thus far, incompletely characterized at the structural level. We previously reported for GLIC, a prokaryotic pLGIC, that cross-linking of a pair of cysteines at both sides of the extracellular and transmembrane domain interface stabilizes a locally closed (LC) X-ray structure. Here, we introduced the homologous pair of cysteines on the human α1 glycine receptor. We show by electrophysiology that cysteine cross-linking produces a gain-of-function phenotype characterized by concomitant constitutive openings, increased agonist potency, and equalization of efficacies of full and partial agonists. However, it also produces a reduction of maximal currents at saturating agonist concentrations without change of the unitary channel conductance, an effect reversed by the positive allosteric modulator propofol. The cross-linking thus favors a unique closed state distinct from the resting and longest-lived desensitized states. Fitting the data according to a three-state allosteric model suggests that it could correspond to a LC conformation. Its plausible assignment to a gating intermediate or a fast-desensitized state is discussed. Overall, our data show that relative movement of two loops at the extracellular-transmembrane interface accompanies orthosteric agonist-mediated gating.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jingjing; Yang, Zheng; Shkrob, Ilya A.

1,4-Dimethoxybenzene derivatives are materials of choice for use as catholytes in nonaqueous redox flow batteries, as they exhibit high open-circuit potentials and excellent electrochemical reversibility. However, chemical stability of these materials in their oxidized form needs to be improved. Disubstitution in the arene ring is used to suppress parasitic reactions of their radical cations, but this does not fully prevent ring-addition reactions. By incorporating bicyclic substitutions and ether chains into the dialkoxybenzenes, a novel catholyte molecule, 9,10-bis(2-methoxyethoxy)-1,2,3,4,5,6,7,8-octahydro-1,4:5,8-dimethanenoanthracene (BODMA), is obtained and exhibits greater solubility and superior chemical stability in the charged state. As a result, a hybrid flow cell containingmore » BODMA is operated for 150 charge–discharge cycles with minimal loss of capacity.« less

A unified perspective on robot control - The energy Lyapunov function approach

NASA Technical Reports Server (NTRS)

Wen, John T.

1990-01-01

A unified framework for the stability analysis of robot tracking control is presented. By using an energy-motivated Lyapunov function candidate, the closed-loop stability is shown for a large family of control laws sharing a common structure of proportional and derivative feedback and a model-based feedforward. The feedforward can be zero, partial or complete linearized dynamics, partial or complete nonlinear dynamics, or linearized or nonlinear dynamics with parameter adaptation. As result, the dichotomous approaches to the robot control problem based on the open-loop linearization and nonlinear Lyapunov analysis are both included in this treatment. Furthermore, quantitative estimates of the trade-offs between different schemes in terms of the tracking performance, steady state error, domain of convergence, realtime computation load and required a prior model information are derived.

Sequential interaction of chloride and proton ions with the fast gate steer the voltage-dependent gating in ClC-2 chloride channels

PubMed Central

Sánchez-Rodríguez, Jorge E; De Santiago-Castillo, José A; Contreras-Vite, Juan Antonio; Nieto-Delgado, Pablo G; Castro-Chong, Alejandra; Arreola, Jorge

2012-01-01

The interaction of either H+ or Cl− ions with the fast gate is the major source of voltage (Vm) dependence in ClC Cl− channels. However, the mechanism by which these ions confer Vm dependence to the ClC-2 Cl− channel remains unclear. By determining the Vm dependence of normalized conductance (Gnorm(Vm)), an index of open probability, ClC-2 gating was studied at different [H+]i, [H+]o and [Cl−]i. Changing [H+]i by five orders of magnitude whilst [Cl−]i/[Cl−]o = 140/140 or 10/140 mm slightly shifted Gnorm(Vm) to negative Vm without altering the onset kinetics; however, channel closing was slower at acidic pHi. A similar change in [H+]o with [Cl−]i/[Cl−]o = 140/140 mm enhanced Gnorm in a bell-shaped manner and shifted Gnorm(Vm) curves to positive Vm. Importantly, Gnorm was >0 with [H+]o = 10−10 m but channel closing was slower when [H+]o or [Cl−]i increased implying that ClC-2 was opened without protonation and that external H+ and/or internal Cl− ions stabilized the open conformation. The analysis of kinetics and steady-state properties at different [H+]o and [Cl−]i was carried out using a gating Scheme coupled to Cl− permeation. Unlike previous results showing Vm-dependent protonation, our analysis revealed that fast gate protonation was Vm and Cl− independent and the equilibrium constant for closed–open transition of unprotonated channels was facilitated by elevated [Cl−]i in a Vm-dependent manner. Hence a Vm dependence of pore occupancy by Cl− induces a conformational change in unprotonated closed channels, before the pore opens, and the open conformation is stabilized by Cl− occupancy and Vm-independent protonation. PMID:22753549

Long Term Stability of Learning Outcomes in Undergraduates after an Open-Inquiry Instruction on Thermal Science

ERIC Educational Resources Information Center

Adorno, Dominique Persano; Pizzolato, Nicola; Fazio, Claudio

2018-01-01

This paper investigates the efficacy of an open-inquiry approach to achieve a long term stability of physics instruction. This study represents the natural continuation of a research project started four years ago when a sample of thirty engineering undergraduates, having already attended traditional university physics instruction, were involved…

Study of the (1 + 1) D Long Wavelength Steady States of the Bénard Problem For Ultrathin Films

NASA Astrophysics Data System (ADS)

Zhou, Chengzhe; Troian, Sandra

We investigate the stationary states of the (1 + 1) D equation ht +h3hxxx +h2γx (h) x = 0 for thin films of thickness h (x , t) where x is the spatial variable and t is time. The variable γ (h) , denotes the surface tension along the gas/liquid interface of the slender bilayer confined between two substrates enforcing thermal conduction within the gap. Equilibrium solutions include flat films, droplets, trenches/ridges and positive periodic steady states (PPSS), the latter conveniently parameterized by a generalized interfacial pressure and the global extremum in shape. We derive perturbative solutions describing PPSS shapes near the stability threshold including their minimal period, average height and free energy. Weakly nonlinear analysis confirms that flat films always undergo a supercritical unstable pitch-fork bifurcation. Globally, our numerical simulations indicate at most one non-trivial PPSS per given period and volume. The free energy of droplet states is also always lower than the relevant corresponding PPSS, suggesting that initial flat films tend to redistribute mass into droplet-like configurations. By solving the linearized eigenvalue problem, we also confirm the unstable nature of PPSS solutions far from the stability threshold.

Alcohols potentiate the function of 5-HT3 receptor–channels on NCB-20 neuroblastoma cells by favouring and stabilizing the open channel state

PubMed Central

Zhou, Qing; Verdoorn, Todd A; Lovinger, David M

1998-01-01

5-HT3 receptor-mediated ion current was recorded from NCB-20 neuroblastoma cells using the whole-cell patch-clamp technique. Rapid drug superfusion was used to study the mechanism of alcohol potentiation of 5-HT3 receptor function and to analyse effects of alcohols on receptor-channel kinetics in detail.Trichloroethanol (TCEt) increased in a dose-dependent way the initial slope, 20–80 % rise time and measured desensitization rate of the current induced by low concentrations (1–2 μm) of 5-HT. Ethanol (EtOH) and butanol (ButOH) had similar effects on the 5-HT3 receptor-induced current.TCEt and ButOH decreased the measured desensitization rate of current induced by 10 μm 5-HT, a maximally effective concentration of agonist. These alcohols also increased the relative amplitude of steady state to peak current induced by 2 or 10 μm 5-HT, indicating a possible decrease in the intrinsic rate of desensitization.TCEt also decreased the deactivation rate of the current activated by 2 μm 5-HT after a short pulse of agonist application.Current sweeps generated by 1 μm 5-HT in the presence or absence of 10 mm TCEt or 100 mm EtOH were well fitted using a modified standard kinetic model derived from the nicotinic acetylcholine receptor. This analysis indicated that potentiation by alcohols could be accounted for by increases in the association rate constant coupled with decreases in the dissociation and desensitization rate constants.This study suggests that alcohols potentiate 5-HT3 receptor-mediated current by both increasing the rate of channel activation and stabilizing the open state by decreasing the rates of channel deactivation and desensitization. PMID:9518697

Multifunctional Iodide-Free Polymeric Ionic Liquid for Quasi-Solid-State Dye-Sensitized Solar Cells with a High Open-Circuit Voltage.

PubMed

Lin, Yi-Feng; Li, Chun-Ting; Lee, Chuan-Pei; Leu, Yow-An; Ezhumalai, Yamuna; Vittal, R; Chen, Ming-Chou; Lin, Jiang-Jen; Ho, Kuo-Chuan

2016-06-22

A polymeric ionic liquid, poly(oxyethylene)-imide-imidazolium selenocyanate (POEI-IS), was newly synthesized and used for a multifunctional gel electrolyte in a quasi-solid-state dye-sensitized solar cell (QSS-DSSC). POEI-IS has several functions: (a) acts as a gelling agent for the electrolyte of the DSSC, (b) possesses a redox mediator of SeCN(-), which is aimed to form a SeCN(-)/(SeCN)3(-) redox couple with a more positive redox potential than that of traditional I(-)/I3(-), (c) chelates the potassium cations through the lone pair electrons of the oxygen atoms of its poly(oxyethylene)-imide-imidazolium (POEI-I) segments, and (d) obstructs the recombination of photoinjected electrons with (SeCN)3(-) ions in the electrolyte through its POEI-I segments. Thus, the POEI-IS renders a high open-circuit voltage (VOC) to the QSS-DSSC due to its functions of b-d and prolongs the stability of the cell due to its function of a. The QSS-DSSC with the gel electrolyte containing 30 wt % of the POEI-IS in liquid selenocyanate electrolyte exhibited a high VOC of 825.50 ± 3.51 mV and a high power conversion efficiency (η) of 8.18 ± 0.02%. The QSS-DSSC with 30 wt % POEI-IS retained up to 95% of its initial η after an at-rest stability test with the period of more than 1,000 h.

Poly(4-Vinylpyridine)-Based Interfacial Passivation to Enhance Voltage and Moisture Stability of Lead Halide Perovskite Solar Cells.

PubMed

Chaudhary, Bhumika; Kulkarni, Ashish; Jena, Ajay Kumar; Ikegami, Masashi; Udagawa, Yosuke; Kunugita, Hideyuki; Ema, Kazuhiro; Miyasaka, Tsutomu

2017-06-09

It is well known that the surface trap states and electronic disorders in the solution-processed CH 3 NH 3 PbI 3 perovskite film affect the solar cell performance significantly and moisture sensitivity of photoactive perovskite material limits its practical applications. Herein, we show the surface modification of a perovskite film with a solution-processable hydrophobic polymer (poly(4-vinylpyridine), PVP), which passivates the undercoordinated lead (Pb) atoms (on the surface of perovskite) by its pyridine Lewis base side chains and thereby eliminates surface-trap states and non-radiative recombination. Moreover, it acts as an electron barrier between the perovskite and hole-transport layer (HTL) to reduce interfacial charge recombination, which led to improvement in open-circuit voltage (V oc ) by 120 to 160 mV whereas the standard cell fabricated in same conditions showed V oc as low as 0.9 V owing to dominating interfacial recombination processes. Consequently, the power conversion efficiency (PCE) increased by 3 to 5 % in the polymer-modified devices (PCE=15 %) with V oc more than 1.05 V and hysteresis-less J-V curves. Advantageously, hydrophobicity of the polymer chain was found to protect the perovskite surface from moisture and improved stability of the non-encapsulated cells, which retained their device performance up to 30 days of exposure to open atmosphere (50 % humidity). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Computation of Ground-State Properties in Molecular Systems: Back-Propagation with Auxiliary-Field Quantum Monte Carlo.

PubMed

Motta, Mario; Zhang, Shiwei

2017-11-14

We address the computation of ground-state properties of chemical systems and realistic materials within the auxiliary-field quantum Monte Carlo method. The phase constraint to control the Fermion phase problem requires the random walks in Slater determinant space to be open-ended with branching. This in turn makes it necessary to use back-propagation (BP) to compute averages and correlation functions of operators that do not commute with the Hamiltonian. Several BP schemes are investigated, and their optimization with respect to the phaseless constraint is considered. We propose a modified BP method for the computation of observables in electronic systems, discuss its numerical stability and computational complexity, and assess its performance by computing ground-state properties in several molecular systems, including small organic molecules.

Epigenetics reloaded: the single-cell revolution.

PubMed

Bheda, Poonam; Schneider, Robert

2014-11-01

Mechanistically, how epigenetic states are inherited through cellular divisions remains an important open question in the chromatin field and beyond. Defining the heritability of epigenetic states and the underlying chromatin-based mechanisms within a population of cells is complicated due to cell heterogeneity combined with varying levels of stability of these states; thus, efforts must be focused toward single-cell analyses. The approaches presented here constitute the forefront of epigenetics research at the single-cell level using classic and innovative methods to dissect epigenetics mechanisms from the limited material available in a single cell. This review further outlines exciting future avenues of research to address the significance of epigenetic heterogeneity and the contributions of microfluidics technologies to single-cell isolation and analysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico

Protein folding represents an open question in science, and the free-energy landscape framework is one way to describe it. In particular, the role played by water in the processes is of special interest. To clarify these issues we study, during folding–unfolding, the temperature evolution of the magnetization for hydrophilic and hydrophobic groups of hydrated lysozyme using NMR spectroscopy. Our findings confirm the validity of the theoretical scenario of a process dominated by different energetic routes, also explaining the water role in the protein configuration stability. Here, we also highlight that the protein native state limit is represented by the watermore » singular temperature that characterizes its compressibility and expansivity and is the origin of the thermodynamical anomalies of its liquid state.« less

Output control using feedforward and cascade controllers

NASA Technical Reports Server (NTRS)

Seraji, H.

1987-01-01

An open-loop solution to the output control problem in SISO (single-input, single-output) systems by means of feedforward and cascade controllers is investigated. A simple characterization of feedforward controllers, which achieve steady-state disturbance rejection, is given in a transfer-function setting. Cascade controllers which cause steady-state command tracking are characterized. Disturbance decoupling and command matching controllers are identified. Conditions for existence of feedforward and cascade controllers are given. For unstable systems, it is shown that a stabilizing feedback controller can be used without affecting the feedforward and cascade controllers used for output control; hence, the three controllers can be designed independently. Output control by a combination of feedforward and feedback is discussed.

Low-order black-box models for control system design in large power systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamwa, I.; Trudel, G.; Gerin-Lajoie, L.

1996-02-01

The paper studies two multi-input multi-output (MIMO) procedures for the identification of low-order state-space models of power systems, by probing the network in open loop with low-energy pulses or random signals. Although such data may result from actual measurements, the development assumes simulated responses from a transient stability program, hence benefiting from the existing large base of stability models. While pulse data is processed using the eigensystem realization algorithm, the analysis of random responses is done by means of subspace identification methods. On a prototype Hydro-Quebec power system, including SVCs, DC lines, series compensation, and more than 1,100 buses, itmore » is verified that the two approaches are equivalent only when strict requirements are imposed on the pulse length and magnitude. The 10th-order equivalent models derived by random-signal probing allow for effective tuning of decentralized power system stabilizers (PSSs) able to damp both local and very slow inter-area modes.« less

Low-order black-box models for control system design in large power systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamwa, I.; Trudel, G.; Gerin-Lajoie, L.

1995-12-31

The paper studies two multi-input multi-output (MIMO) procedures for the identification of low-order state-space models of power systems, by probing the network in open loop with low-energy pulses or random signals. Although such data may result from actual measurements, the development assumes simulated responses from a transient stability program, hence benefiting form the existing large base of stability models. While pulse data is processed using the eigensystem realization algorithm, the analysis of random responses is done by means of subspace identification methods. On a prototype Hydro-Quebec power system, including SVCs, DC lines, series compensation, and more than 1,100 buses, itmore » is verified that the two approaches are equivalent only when strict requirements are imposed on the pulse length and magnitude. The 10th-order equivalent models derived by random-signal probing allow for effective tuning of decentralized power system stabilizers (PSSs) able to damp both local and very slow inter-area modes.« less

Improving stability of regional numerical ocean models

NASA Astrophysics Data System (ADS)

Herzfeld, Mike

2009-02-01

An operational limited-area ocean modelling system was developed to supply forecasts of ocean state out to 3 days. This system is designed to allow non-specialist users to locate the model domain anywhere within the Australasian region with minimum user input. The model is required to produce a stable simulation every time it is invoked. This paper outlines the methodology used to ensure the model remains stable over the wide range of circumstances it might encounter. Central to the model configuration is an alternative approach to implementing open boundary conditions in a one-way nesting environment. Approximately 170 simulations were performed on limited areas in the Australasian region to assess the model stability; of these, 130 ran successfully with a static model parameterisation allowing a statistical estimate of the model’s approach toward instability to be determined. Based on this, when the model was deemed to be approaching instability a strategy of adaptive intervention in the form of constraint on velocity and elevation was invoked to maintain stability.

Computer Simulation Studies of Ion Channel Gating: Characteristics of the M2 Channel of Influenza-A Virus in a Phospholipid Bilayer

NASA Technical Reports Server (NTRS)

Schweighofer, Karl J.; Pohorille, Andrew; DeVincenzi, D. (Technical Monitor)

1999-01-01

The 25 amino acids long, transmembrane fragment of the Influenza virus M2 protein forms a homotetrameric channel that transports protons across lipid bilayers. It has been postulated that high efficiency and selectivity of this process is due to gating by four histidine residues that occlude the channel lumen in the closed state. Two mechanisms of gating have been postulated. In one mechanism, the proton is "shuttled" through the gate by attaching to the delta nitrogen atom on the extracellular side of the imidazole ring, followed by the release of the proton attached to the epsilon nitrogen atom on the opposite side. In the second mechanism, the four histidines move away from each other due to electrostatic repulsion upon protonation, thus opening the gate sufficiently that a wire of water molecules can penetrate the gate. Then, protons are transported by "hopping" along the wire. In this paper, both mechanisms are evaluated in a series of molecular dynamics simulations by investigating stability of different protonation states of the channel that are involved in these mechanisms. For the shuttle mechanism, these are states with all epsilon protonated histidines, one biprotonated residue or one histidine protonated in the delta position. For the gate opening mechanism, this is the state in which all four histidines are biprotonated. In addition, a state with two biprotonated histidines is considered. For each system, composed of the protein channel embedded in phospholipid bilayer located between two water lamellae, a molecular dynamics trajectory of approximately 1.3 ns (after equilibration) was obtained. It is found that the states involved in the shuttle mechanism are stable during the simulations. Furthermore, the orientations and dynamics of water molecules near the gate are conducive to proton transfers involved in the shuttle. In contract, the fully biprotonated state, implicated in the gate opening mechanism, is not stable and the channel looses its structural integrity. If only two histidines are biprotonated the channel deforms but remains intact with the gate mostly closed. In summary, the results of this study lend support to the shuttle mechanism but not to the gate opening mechanism of proton gating in M2.

Ligand-Induced Conformational Change in the α7 Nicotinic Receptor Ligand Binding Domain

PubMed Central

Henchman, Richard H.; Wang, Hai-Long; Sine, Steven M.; Taylor, Palmer; McCammon, J. Andrew

2005-01-01

Molecular dynamics simulations of a homology model of the ligand binding domain of the α7 nicotinic receptor are conducted with a range of bound ligands to induce different conformational states. Four simulations of 15 ns each are run with no ligand, antagonist d-tubocurarine (dTC), agonist acetylcholine (ACh), and agonist ACh with potentiator Ca2+, to give insight into the conformations of the active and inactive states of the receptor and suggest the mechanism for conformational change. The main structural factor distinguishing the active and inactive states is that a more open, symmetric arrangement of the five subunits arises for the two agonist simulations, whereas a more closed and asymmetric arrangement results for the apo and dTC cases. Most of the difference arises in the lower portion of the ligand binding domain near its connection to the adjacent transmembrane domain. The transfer of the more open state to the transmembrane domain could then promote ion flow through the channel. Variation in how subunits pack together with no ligand bound appears to give rise to asymmetry in the apo case. The presence of dTC expands the receptor but induces rotations in alternate directions in adjacent subunits that lead to an asymmetric arrangement as in the apo case. Ca2+ appears to promote a slightly greater expansion in the subunits than ACh alone by stabilizing the C-loop and ACh positions. Although the simulations are unlikely to be long enough to view the full conformational changes between open and closed states, a collection of different motions at a range of length scales are observed that are likely to participate in the conformational change. PMID:15665135

Long-term Stability of a Camouflage Retreatment of an Asymmetric Class III/Posterior Open Bite Using Sliding Jigs.

PubMed

Oliveira, Dauro Douglas; de Oliveira, Bruno Franco; Figueiredo, Daniel Santos Fonseca; Antunes, Alberto Nogueira da Gama; Seraidarian, Paulo Isaías

2017-10-01

This article reports the camouflage retreatment of an adult patient presenting an asymmetric Class III malocclusion and posterior open bite. Sliding jigs (SJs) associated with intermaxillary elastics were used. The long-term stability of the excellent results suggests that the use of SJs to correct asymmetric posterior occlusions may be effective.

Investigating the association between social interactions and personality states dynamics

PubMed Central

Finnerty, Ailbhe N.; Staiano, Jacopo; Teso, Stefano; Passerini, Andrea; Pianesi, Fabio; Lepri, Bruno

2017-01-01

The recent personality psychology literature has coined the name of personality states to refer to states having the same behavioural, affective and cognitive content (described by adjectives) as the corresponding trait, but for a shorter duration. The variability in personality states may be the reaction to specific characteristics of situations. The aim of our study is to investigate whether specific situational factors, that is, different configurations of face-to-face interactions, are predictors of variability of personality states in a work environment. The obtained results provide evidence that within-person variability in personality is associated with variation in face-to-face interactions. Interestingly, the effects differ by type and level of the personality states: adaptation effects for Agreeableness and Emotional Stability, whereby the personality states of an individual trigger similar states in other people interacting with them and complementarity effects for Openness to Experience, whereby the personality states of an individual trigger opposite states in other people interacting with them. Overall, these findings encourage further research to characterize face-to-face and social interactions in terms of their relevance to personality states. PMID:28989732

Investigating the association between social interactions and personality states dynamics.

PubMed

Gundogdu, Didem; Finnerty, Ailbhe N; Staiano, Jacopo; Teso, Stefano; Passerini, Andrea; Pianesi, Fabio; Lepri, Bruno

2017-09-01

The recent personality psychology literature has coined the name of personality states to refer to states having the same behavioural, affective and cognitive content (described by adjectives) as the corresponding trait, but for a shorter duration. The variability in personality states may be the reaction to specific characteristics of situations. The aim of our study is to investigate whether specific situational factors, that is, different configurations of face-to-face interactions, are predictors of variability of personality states in a work environment. The obtained results provide evidence that within-person variability in personality is associated with variation in face-to-face interactions. Interestingly, the effects differ by type and level of the personality states: adaptation effects for Agreeableness and Emotional Stability, whereby the personality states of an individual trigger similar states in other people interacting with them and complementarity effects for Openness to Experience, whereby the personality states of an individual trigger opposite states in other people interacting with them. Overall, these findings encourage further research to characterize face-to-face and social interactions in terms of their relevance to personality states.

Base opening in RNA and DNA duplexes: implication for RNA stability.

PubMed

Chen, Y Z; Mohan, V; Griffey, R H

2000-05-01

The energetics of a low-energy single base opening in several RNA duplex crystal structures has been calculated and compared to DNA duplexes. Base opening in RNA appears to have an overall preference towards the major groove, similar to results previously reported for B-DNA. Movement of each of the adenine, uracil, and cytosine bases into the minor groove is blocked by a high-energy barrier due to severe close contact with neighboring bases. Guanine bases are able to open towards both grooves because of the unique orientation of the base that avoids steric clash along the opening pathway. RNA bases are found to have a substantially smaller major groove opening extent than that of their B-DNA counterparts. A comparison with base opening behavior of A-DNA duplexes suggests that this difference results from helix constraint associated with A-form backbone conformation. The reduced opening extent correlates with the RNA duplex stability and is consistent with observed slower imino proton exchange rates in RNA duplexes.

Second-scale nuclear spin coherence time of ultracold 23Na40K molecules.

PubMed

Park, Jee Woo; Yan, Zoe Z; Loh, Huanqian; Will, Sebastian A; Zwierlein, Martin W

2017-07-28

Coherence, the stability of the relative phase between quantum states, is central to quantum mechanics and its applications. For ultracold dipolar molecules at sub-microkelvin temperatures, internal states with robust coherence are predicted to offer rich prospects for quantum many-body physics and quantum information processing. We report the observation of stable coherence between nuclear spin states of ultracold fermionic sodium-potassium (NaK) molecules in the singlet rovibrational ground state. Ramsey spectroscopy reveals coherence times on the scale of 1 second; this enables high-resolution spectroscopy of the molecular gas. Collisional shifts are shown to be absent down to the 100-millihertz level. This work opens the door to the use of molecules as a versatile quantum memory and for precision measurements on dipolar quantum matter. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Architecture of the Yeast RNA Polymerase II Open Complex and Regulation of Activity by TFIIF

PubMed Central

Fishburn, James

2012-01-01

To investigate the function and architecture of the open complex state of RNA polymerase II (Pol II), Saccharomyces cerevisiae minimal open complexes were assembled by using a series of heteroduplex HIS4 promoters, TATA binding protein (TBP), TFIIB, and Pol II. The yeast system demonstrates great flexibility in the position of active open complexes, spanning 30 to 80 bp downstream from TATA, consistent with the transcription start site scanning behavior of yeast Pol II. TFIIF unexpectedly modulates the activity of the open complexes, either repressing or stimulating initiation. The response to TFIIF was dependent on the sequence of the template strand within the single-stranded bubble. Mutations in the TFIIB reader and linker region, which were inactive on duplex DNA, were suppressed by the heteroduplex templates, showing that a major function of the TFIIB reader and linker is in the initiation or stabilization of single-stranded DNA. Probing of the architecture of the minimal open complexes with TFIIB-FeBABE [TFIIB–p-bromoacetamidobenzyl–EDTA-iron(III)] derivatives showed that the TFIIB core domain is surprisingly positioned away from Pol II, and the addition of TFIIF repositions the TFIIB core domain to the Pol II wall domain. Together, our results show an unexpected architecture of minimal open complexes and the regulation of activity by TFIIF and the TFIIB core domain. PMID:22025674

International Outreach and Coordination Strategy for the National Strategy for Maritime Security

DTIC Science & Technology

2005-11-01

economic stability of the international community, all nations have a vital interest in ensuring that the maritime domain remains secure and open for the free and legitimate use of all. Public and private entities must work in concert to succeed. Accordingly, in order to enhance global maritime security, the Department of State will leverage its diplomatic resources and influence, while coordinating closely with other components of the US Government, to promote and enhance close cooperation among sovereign nations, international and regional organizations and the maritime

Transplanting of the Seagrasses Zostera marina and Halodula wrightii for Sediment Stabilization and Habitat Development on the East Coast of the United States.

DTIC Science & Technology

1985-08-01

term basis (2-3 yr) do not account for substantial accretion or retention of • sediments (only 1 -3 cm above the natural bottom) in open-water areas...ND-Al6 224 TRANSPLANTING OF THE SEAGRASSES ZOSTERA MARINA AND 1 / 1 HALODULR MRIGHTII FOR..(U) ARMY ENGINEER NATERNAYS EXPERIMENT STATION VICKSBURG MS...11.8 un1.051.41. NAIOA SU ____ OFSTN .,.- 1 ,3 ....... ...... ENVIRONMENTAL IMPACT RESEARCH PROGRAM * Re TECHNICAL REPORT EL-85-9 N TRANSPLANTING OF THE

A comparison of the "All-Inside" arthroscopic Broström procedure with the traditional open modified Broström-Gould technique: A review of 62 patients.

PubMed

Rigby, Ryan B; Cottom, James M

2018-02-05

The open Broström-Gould lateral ankle stabilization procedure has been the gold standard for primary lateral ankle stabilization. A new minimally invasive all-inside arthroscopic technique has been described for the correction of lateral ankle instability. We performed a review of patients who underwent lateral ankle stabilization by either the traditional open Broström-Gould (BG) or the All-Inside Bröstrom (AIB) technique to compare and identify any discrepancies between functional and/or patient satisfaction outcomes. A total of 62 patients underwent a lateral ankle stabilization. Of those 62 patients, 32 received a traditional open Broström-Gould procedure and 30 patients underwent an All-Inside Bröstrom type procedure. The two groups were compared preoperatively with AOFAS ankle-hindfoot scoring system and Visual Analog Score (VAS) for pain. Postoperatively, AOFAS, Karlsson Peterson and VAS scores were compared. The mean preoperative VAS pain score for the open Broström-Gould was 7.28, the All-Inside Broström was 8.18. The mean postoperative VAS pain score for the open Broström-Gould was 1.2, the All-Inside Broström was 1.5. The mean preoperative AOFAS score for the Broström-Gould was 35.44, the All-Inside Broström was 35.07. The mean postoperative AOFAS score for the open Broström-Gould was 93.53, the All-Inside Broström was 95.33. The mean postoperative Karlsson Peterson score for the open Broström-Gould was 93.41, the All-Inside Broström was 91.80. The mean time to weight bearing for the Broström-Gould was 22 days, the All-Inside Broström was 12 days. There were no statistically significant differences identified in any of the functional or patient satisfaction outcome scores using either technique. This review suggests the minimally invasive arthroscopic technique using bone anchors for lateral ankle stabilization may be comparable to the traditional open Broström-Gould with the added advantage of earlier time to weight bearing. Copyright © 2017 European Foot and Ankle Society. Published by Elsevier Ltd. All rights reserved.

Ready to rumble: how team personality composition and task conflict interact to improve performance.

PubMed

Bradley, Bret H; Klotz, Anthony C; Postlethwaite, Bennett E; Brown, Kenneth G

2013-03-01

Although prior work has proposed a number of conditions under which task conflict in teams may improve performance, composition variables have been left unexplored. Given the effects of personality traits on team processes and outcomes demonstrated in prior work, investigating whether specific personality compositions influence the effect of task conflict on team performance is critical to researchers' understanding of conflict in teams. Our results indicate that team-level averages of both openness to experience and emotional stability function as moderators of the relationship between task conflict and team performance. Specifically, task conflict had a positive impact on performance in teams with high levels of openness or emotional stability; in contrast, task conflict had a negative impact on performance in teams with low levels of openness or emotional stability. Thus, when task conflict emerges, teams composed of members who are open minded or emotionally stable are best able to leverage conflict to improve performance. Implications for theory and practice are discussed.

Using Lidocaine and Benzocaine to Link Sodium Channel Molecular Conformations to State-Dependent Antiarrhythmic Drug Affinity

PubMed Central

Hanck, Dorothy A.; Nikitina, Elena; McNulty, Megan M.; Fozzard, Harry A.; Lipkind, Gregory M.; Sheets, Michael F.

2009-01-01

Rationale Lidocaine and other antiarrhythmic drugs bind in the inner pore of voltage-gated Na channels and affect gating use-dependently. A phenylalanine in domain IV, S6 (Phe1759 in NaV1.5), modeled to face the inner pore just below the selectivity filter, is critical in use-dependent drug block. Objective Measurement of gating currents and concentration-dependent availability curves to determine the role of Phe1759 in coupling of drug binding to the gating changes. Methods & Results The measurements showed that replacement of Phe1759 with a non-aromatic residue permits clear separation of action of lidocaine and benzocaine into two components that can be related to channel conformations. One component represents the drug acting as a voltage-independent, low-affinity blocker of closed channels (designated as lipophilic block), and the second represents high-affinity, voltage-dependent block of open/inactivated channels linked to stabilization of the S4's in domains III and IV (designated as voltage-sensor inhibition) by Phe1759. A homology model for how lidocaine and benzocaine bind in the closed and open/inactivated channel conformation is proposed. Conclusions These two components, lipophilic block and voltage-sensor inhibition, can explain the differences in estimates between tonic and open-state/inactivated-state affinities, and they identify how differences in affinity for the two binding conformations can control use-dependence, the hallmark of successful antiarrhythmic drugs. PMID:19661462

Blood Vessel Adaptation with Fluctuations in Capillary Flow Distribution

PubMed Central

Hu, Dan; Cai, David; Rangan, Aaditya V.

2012-01-01

Throughout the life of animals and human beings, blood vessel systems are continuously adapting their structures – the diameter of vessel lumina, the thickness of vessel walls, and the number of micro-vessels – to meet the changing metabolic demand of the tissue. The competition between an ever decreasing tendency of luminal diameters and an increasing stimulus from the wall shear stress plays a key role in the adaptation of luminal diameters. However, it has been shown in previous studies that the adaptation dynamics based only on these two effects is unstable. In this work, we propose a minimal adaptation model of vessel luminal diameters, in which we take into account the effects of metabolic flow regulation in addition to wall shear stresses and the decreasing tendency of luminal diameters. In particular, we study the role, in the adaptation process, of fluctuations in capillary flow distribution which is an important means of metabolic flow regulation. The fluctuation in the flow of a capillary group is idealized as a switch between two states, i.e., an open-state and a close-state. Using this model, we show that the adaptation of blood vessel system driven by wall shear stress can be efficiently stabilized when the open time ratio responds sensitively to capillary flows. As micro-vessel rarefaction is observed in our simulations with a uniformly decreased open time ratio of capillary flows, our results point to a possible origin of micro-vessel rarefaction, which is believed to induce hypertension. PMID:23029014

Concerted Interconversion between Ionic Lock Substates of the β2 Adrenergic Receptor Revealed by Microsecond Timescale Molecular Dynamics

PubMed Central

Romo, Tod D.; Grossfield, Alan; Pitman, Michael C.

2010-01-01

Abstract The recently solved crystallographic structures for the A2A adenosine receptor and the β1 and β2 adrenergic receptors have shown important differences between members of the class-A G-protein-coupled receptors and their archetypal model, rhodopsin, such as the apparent breaking of the ionic lock that stabilizes the inactive structure. Here, we characterize a 1.02 μs all-atom simulation of an apo-β2 adrenergic receptor that is missing the third intracellular loop to better understand the inactive structure. Although we find that the structure is remarkably rigid, there is a rapid influx of water into the core of the protein, as well as a slight expansion of the molecule relative to the crystal structure. In contrast to the x-ray crystal structures, the ionic lock rapidly reforms, although we see an activation-precursor-like event wherein the ionic lock opens for ∼200 ns, accompanied by movements in the transmembrane helices associated with activation. When the lock reforms, we see the structure return to its inactive conformation. We also find that the ionic lock exists in three states: closed (or locked), semi-open with a bridging water molecule, and open. The interconversion of these states involves the concerted motion of the entire protein. We characterize these states and the concerted motion underlying their interconversion. These findings may help elucidate the connection between key local events and the associated global structural changes during activation. PMID:20074514

The effects of prosthetic foot type and visual alteration on postural steadiness in below-knee amputees

PubMed Central

2014-01-01

Background Achieving independent upright posture has known to be one of the main goals in rehabilitation following lower limb amputation. The purpose of this study was to compare postural steadiness of below knee amputees with visual alterations while wearing three different prosthetic feet. Methods Ten male below-knee amputees were instructed to stand quietly on the Biodex® balance platform while wearing solid ankle cushion heel (SACH), single axis (SA) and energy storage and release (ESAR) prosthetic foot under different visual input conditions (eyes-opened and eyes-closed). The overall stability index (OSI), anterior- posterior stability index (APSI), and medial-lateral stability index (MLSI) were computed. Perceived balance assessment of each foot was evaluated using Activities-specific Balance Confidence (ABC) score. Results The findings highlights that SACH showed lowest overall stability index (indicating less body sway) during eyes-opened (OSI: SACH = 1.09, SA = 1.58, ESAR = 1.59) and SA showed lowest overall stability index during eyes-closed (OSI: SACH = 2.52, SA = 2.30, ESAR = 2.76) condition. However, overall stability indexes between foot types did not differ significantly during eyes-opened or eyes-closed (p = 0.651). There was a trend of instability which occurred more in medial-lateral compared to anterior-posterior direction for all foot types, with significant result in ESAR foot(eyes-opened: MLSI = 1.59, APSI = 0.65, p = 0.034; eyes-closed: MLSI = 2.76, APSI = 1.80, p = 0.017, respectively). When comparing between visual conditions, stability score was significantly higher during eyes-closed compared to eyes-opened situations for SACH and ESAR foot (eyes-closed vs opened; SACH OSI: 3.43 vs 1.71, p = 0.018 and MLSI: 3.43 vs 1.71, p = 0.018; ESAR OSI: 3.58 vs 1.86, p = 0.043 and APSI: 1.80 vs 0.65, p = 0.027). Conclusions The results of this study suggested postural steadiness in below-knee amputees was not affected by the types of prosthetic foot during quiet upright standing, but was significantly affected when visual cues was absent. PMID:24597518

Silver-induced reconstruction of an adeninate-based metal–organic framework for encapsulation of luminescent adenine-stabilized silver clusters† †Electronic supplementary information (ESI) available: Experimental details and additional structural, physicochemical and optical characterisation. See DOI: 10.1039/c6tc00260a Click here for additional data file.

PubMed Central

Jonckheere, Dries; Coutino-Gonzalez, Eduardo; Baekelant, Wouter; Bueken, Bart; Reinsch, Helge; Stassen, Ivo; Fenwick, Oliver; Richard, Fanny; Samorì, Paolo; Ameloot, Rob; Hofkens, Johan

2016-01-01

Bright luminescent silver-adenine species were successfully stabilized in the pores of the MOF-69A (zinc biphenyldicarboxylate) metal–organic framework, starting from the intrinsically blue luminescent bio-MOF-1 (zinc adeninate 4,4′-biphenyldicarboxylate). Bio-MOF-1 is transformed to the MOF-69A framework by selectively leaching structural adenine linkers from the original framework using silver nitrate solutions in aqueous ethanol. Simultaneously, bright blue-green luminescent silver-adenine clusters are formed inside the pores of the recrystallized MOF-69A matrix in high local concentrations. The structural transition and concurrent changes in optical properties were characterized using a range of structural, physicochemical and spectroscopic techniques (steady-state and time-resolved luminescence, quantum yield determination, fluorescence microscopy). The presented results open new avenues for exploring the use of MOFs containing luminescent silver clusters for solid-state lighting and sensor applications. PMID:28496980

Multi-Domain SDN Survivability for Agricultural Wireless Sensor Networks.

PubMed

Huang, Tao; Yan, Siyu; Yang, Fan; Liu, Jiang

2016-11-06

Wireless sensor networks (WSNs) have been widely applied in agriculture field; meanwhile, the advent of multi-domain software-defined networks (SDNs) have improved the wireless resource utilization rate and strengthened network management. In recent times, multi-domain SDNs have been applied to agricultural sensor networks, namely multi-domain software-defined wireless sensor networks (SDWSNs). However, when the SDNs controlling agriculture networks suddenly become unavailable, whether intra-domain or inter-domain, sensor network communication is abnormal because of the loss of control. Moreover, there are controller and switch info-updating problems even if the controller becomes available again. To resolve these problems, this paper proposes a new approach based on an Open vSwitch extension for multi-domain SDWSNs, which can enhance agriculture network survivability and stability. We achieved this by designing a connection-state mechanism, a communication mechanism on both L2 and L3, and an info-updating mechanism based on Open vSwitch. The experimental results show that, whether it is agricultural inter-domain or intra-domain during the controller failure period, the sensor switches can enter failure recovery mode as soon as possible so that the sensor network keeps a stable throughput, a short failure recovery time below 300 ms, and low packet loss. Further, the domain can smoothly control the domain network again once the controller becomes available. This approach based on an Open vSwitch extension can enhance the survivability and stability of multi-domain SDWSNs in precision agriculture.

Multi-Domain SDN Survivability for Agricultural Wireless Sensor Networks

PubMed Central

Huang, Tao; Yan, Siyu; Yang, Fan; Liu, Jiang

2016-01-01

Wireless sensor networks (WSNs) have been widely applied in agriculture field; meanwhile, the advent of multi-domain software-defined networks (SDNs) have improved the wireless resource utilization rate and strengthened network management. In recent times, multi-domain SDNs have been applied to agricultural sensor networks, namely multi-domain software-defined wireless sensor networks (SDWSNs). However, when the SDNs controlling agriculture networks suddenly become unavailable, whether intra-domain or inter-domain, sensor network communication is abnormal because of the loss of control. Moreover, there are controller and switch info-updating problems even if the controller becomes available again. To resolve these problems, this paper proposes a new approach based on an Open vSwitch extension for multi-domain SDWSNs, which can enhance agriculture network survivability and stability. We achieved this by designing a connection-state mechanism, a communication mechanism on both L2 and L3, and an info-updating mechanism based on Open vSwitch. The experimental results show that, whether it is agricultural inter-domain or intra-domain during the controller failure period, the sensor switches can enter failure recovery mode as soon as possible so that the sensor network keeps a stable throughput, a short failure recovery time below 300 ms, and low packet loss. Further, the domain can smoothly control the domain network again once the controller becomes available. This approach based on an Open vSwitch extension can enhance the survivability and stability of multi-domain SDWSNs in precision agriculture. PMID:27827971

Factors related to stability following the surgical correction of skeletal open bite.

PubMed

Ito, Goshi; Koh, Myongsun; Fujita, Tadashi; Shirakura, Maya; Ueda, Hiroshi; Tanne, Kazuo

2014-05-01

If a skeletal anterior open bite malocclusion is treated by orthognathic surgery directed only at the mandible, the lower jaw is repositioned upward in a counter-clockwise rotation. However, this procedure has a high risk of relapse. In the present study, the key factors associated with post-surgical stability of corrected skeletal anterior open bite malocclusions were investigated. Eighteen orthognathic patients were subjected to cephalometric analysis to assess the dental and skeletal changes following mandibular surgery for the correction of an anterior open bite. The patients were divided into two groups, determined by an increase or decrease in nasion-menton (N-Me) distance as a consequence of surgery. Changes in overbite, the displacements of molars and positional changes in Menton were evaluated immediately before and after surgery and after a minimum of one year post-operatively. The group with a decreased N-Me distance exhibited a significantly greater backward positioning of the mandible. The group with an increased N-Me distance experienced significantly greater dentoalveolar extrusion of the lower molars. A sufficient mandibular backward repositioning is an effective technique in the prevention of open bite relapse. In addition, it is important not to induce molar extrusion during post-surgical orthodontic treatment to preserve stability of the surgical open bite correction.

CarD stabilizes mycobacterial open complexes via a two-tiered kinetic mechanism

PubMed Central

Rammohan, Jayan; Ruiz Manzano, Ana; Garner, Ashley L.; Stallings, Christina L.; Galburt, Eric A.

2015-01-01

CarD is an essential and global transcriptional regulator in mycobacteria. While its biological role is unclear, CarD functions by interacting directly with RNA polymerase (RNAP) holoenzyme promoter complexes. Here, using a fluorescent reporter of open complex, we quantitate RPo formation in real time and show that Mycobacterium tuberculosis CarD has a dramatic effect on the energetics of RNAP bound complexes on the M. tuberculosis rrnAP3 ribosomal RNA promoter. The data reveal that Mycobacterium bovis RNAP exhibits an unstable RPo that is stabilized by CarD and suggest that CarD uses a two-tiered, concentration-dependent mechanism by associating with open and closed complexes with different affinities. Specifically, the kinetics of open-complex formation can be explained by a model where, at saturating concentrations of CarD, the rate of bubble collapse is slowed and the rate of opening is accelerated. The kinetics and open-complex stabilities of CarD mutants further clarify the roles played by the key residues W85, K90 and R25 previously shown to affect CarD-dependent gene regulation in vivo. In contrast to M. bovis RNAP, Escherichia coli RNAP efficiently forms RPo on rrnAP3, suggesting an important difference between the polymerases themselves and highlighting how transcriptional machinery can vary across bacterial genera. PMID:25697505

Stabilisation of time-varying linear systems via Lyapunov differential equations

NASA Astrophysics Data System (ADS)

Zhou, Bin; Cai, Guang-Bin; Duan, Guang-Ren

2013-02-01

This article studies stabilisation problem for time-varying linear systems via state feedback. Two types of controllers are designed by utilising solutions to Lyapunov differential equations. The first type of feedback controllers involves the unique positive-definite solution to a parametric Lyapunov differential equation, which can be solved when either the state transition matrix of the open-loop system is exactly known, or the future information of the system matrices are accessible in advance. Different from the first class of controllers which may be difficult to implement in practice, the second type of controllers can be easily implemented by solving a state-dependent Lyapunov differential equation with a given positive-definite initial condition. In both cases, explicit conditions are obtained to guarantee the exponentially asymptotic stability of the associated closed-loop systems. Numerical examples show the effectiveness of the proposed approaches.

Rotated waveplates in integrated waveguide optics.

PubMed

Corrielli, Giacomo; Crespi, Andrea; Geremia, Riccardo; Ramponi, Roberta; Sansoni, Linda; Santinelli, Andrea; Mataloni, Paolo; Sciarrino, Fabio; Osellame, Roberto

2014-06-25

Controlling and manipulating the polarization state of a light beam is crucial in applications ranging from optical sensing to optical communications, both in the classical and quantum regime, and ultimately whenever interference phenomena are to be exploited. In addition, many of these applications present severe requirements of phase stability and greatly benefit from a monolithic integrated-optics approach. However, integrated devices that allow arbitrary transformations of the polarization state are very difficult to produce with conventional lithographic technologies. Here we demonstrate waveguide-based optical waveplates, with arbitrarily rotated birefringence axis, fabricated by femtosecond laser pulses. To validate our approach, we exploit this component to realize a compact device for the quantum state tomography of two polarization-entangled photons. This work opens perspectives for integrated manipulation of polarization-encoded information with relevant applications ranging from integrated polarimetric sensing to quantum key distribution.

Comparative Implementation of High Performance Computing for Power System Dynamic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng

Dynamic simulation for transient stability assessment is one of the most important, but intensive, computations for power system planning and operation. Present commercial software is mainly designed for sequential computation to run a single simulation, which is very time consuming with a single processer. The application of High Performance Computing (HPC) to dynamic simulations is very promising in accelerating the computing process by parallelizing its kernel algorithms while maintaining the same level of computation accuracy. This paper describes the comparative implementation of four parallel dynamic simulation schemes in two state-of-the-art HPC environments: Message Passing Interface (MPI) and Open Multi-Processing (OpenMP).more » These implementations serve to match the application with dedicated multi-processor computing hardware and maximize the utilization and benefits of HPC during the development process.« less

Exploring the nonlinear cloud and rain equation

NASA Astrophysics Data System (ADS)

Koren, Ilan; Tziperman, Eli; Feingold, Graham

2017-01-01

Marine stratocumulus cloud decks are regarded as the reflectors of the climate system, returning back to space a significant part of the income solar radiation, thus cooling the atmosphere. Such clouds can exist in two stable modes, open and closed cells, for a wide range of environmental conditions. This emergent behavior of the system, and its sensitivity to aerosol and environmental properties, is captured by a set of nonlinear equations. Here, using linear stability analysis, we express the transition from steady to a limit-cycle state analytically, showing how it depends on the model parameters. We show that the control of the droplet concentration (N), the environmental carrying-capacity (H0), and the cloud recovery parameter (τ) can be linked by a single nondimensional parameter (μ=√{N }/(ατH0) ) , suggesting that for deeper clouds the transition from open (oscillating) to closed (stable fixed point) cells will occur for higher droplet concentration (i.e., higher aerosol loading). The analytical calculations of the possible states, and how they are affected by changes in aerosol and the environmental variables, provide an enhanced understanding of the complex interactions of clouds and rain.

Conformation changes in the Glutamate receptor as studied by LRET

NASA Astrophysics Data System (ADS)

Jayaraman, Vasanthi

2009-03-01

Glutamate receptors are the primary mediators of excitatory neurotransmission in the mammalian central nervous system. Glutamate binding to an extracellular ligand binding domain initiates a series of conformational changes that results in the formation of cation selective transmembrane ion channels that ultimately desensitize. We have used luminescence resonance energy transfer to determine the conformational changes that underlie the allosteric process of glutamate mediated gating in the receptor. These investigations showed that agonist binding induced cleft closure in the ligand binding domain confirming that this change observed in the isolated ligand binding domain of the receptor is one of the mechanisms by which agonist mediates activation. The LRET investigations also allowed a study of the conformational changes between the subunits. The apo state of the protein showed a dimer interface that was open. The dimer interface was brought together only in the activated state, suggesting that cleft closure drives the formation of the contacts at dimer interface, which in turn transiently stabilizes the open channel. At longer times, the stress induced by the transmembrane segments, ultimately drives the breakdown of the interface, leading to channel closure and receptor desensitization.

Effect of 24-h continuous rotigotine treatment on stationary and non-stationary locomotion in de novo patients with Parkinson disease in an open-label uncontrolled study.

PubMed

Serrao, Mariano; Ranavolo, Alberto; Conte, Carmela; Davassi, Chiara; Mari, Silvia; Fasano, Alfonso; Chini, Giorgia; Coppola, Gianluca; Draicchio, Francesco; Pierelli, Francesco

2015-11-01

The aim of this study was to investigate the effect of a rotigotine transdermal patch on stationary and non-stationary locomotion in de novo Parkinson disease (PD) patients in an open-label uncontrolled study. A 3-D gait analysis system was used to investigate four different locomotor tasks: steady-state linear walking, gait initiation, gait termination and 180°-turning. A series of gait variables were measured for each locomotor task. PD patients who received rotigotine treatment (4-8 mg) displayed: (1) increased step length, gait speed, cadence and arm oscillations, and reduced double support duration and step asymmetry during steady-state linear gait; (2) increased initial step length during gait initiation; (3) increased final step length and gait speed, and decreased stability index during gait termination; (4) decreased duration of turning and head-pelvis delays during 180°-turning. The main finding that emerges from the present study is that the dopamine agonist rotigotine can improve various aspects of gait in de novo PD patients.

Stability of the Einstein static universe in open cosmological models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Canonico, Rosangela; Parisi, Luca; INFN, Sezione di Napoli, GC di Salerno, Via Ponte Don Melillo, I-84081 Baronissi

2010-09-15

The stability properties of the Einstein static solution of general relativity are altered when corrective terms arising from modification of the underlying gravitational theory appear in the cosmological equations. In this paper the existence and stability of static solutions are considered in the framework of two recently proposed quantum gravity models. The previously known analysis of the Einstein static solutions in the semiclassical regime of loop quantum cosmology with modifications to the gravitational sector is extended to open cosmological models where a static neutrally stable solution is found. A similar analysis is also performed in the framework of Horava-Lifshitz gravitymore » under detailed balance and projectability conditions. In the case of open cosmological models the two solutions found can be either unstable or neutrally stable according to the admitted values of the parameters.« less

Energy landscape in protein folding and unfolding

DOE PAGES

Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; ...

2016-03-08

Protein folding represents an open question in science, and the free-energy landscape framework is one way to describe it. In particular, the role played by water in the processes is of special interest. To clarify these issues we study, during folding–unfolding, the temperature evolution of the magnetization for hydrophilic and hydrophobic groups of hydrated lysozyme using NMR spectroscopy. Our findings confirm the validity of the theoretical scenario of a process dominated by different energetic routes, also explaining the water role in the protein configuration stability. Here, we also highlight that the protein native state limit is represented by the watermore » singular temperature that characterizes its compressibility and expansivity and is the origin of the thermodynamical anomalies of its liquid state.« less

Crisis & Commitment: 150 Years of Service by Los Angeles County Public Hospitals

PubMed Central

Cousineau, Michael R.; Tranquada, Robert E.

2007-01-01

The Los Angeles County University of Southern California Medical Center will open soon, replacing the county’s current 74-year-old facility with a modern, although smaller, facility. Los Angeles County has provided hospital care to the indigent since 1858, during which time, the operation of public hospitals has shifted from a state-mandated welfare responsibility to a preeminent part of the county’s public health mission. As this shift occurred, the financing of Los Angeles County hospitals changed from primarily county support to state and federal government sources, particularly Medicaid. The success of the new hospital will depend on whether government leaders at all levels provide the reforms needed to help the county and its partners stabilize its funding base. PMID:17329642

Surgical stabilization of shoulder luxation in a pot-bellied pig.

PubMed

Rubio-Martínez, Luis M; Rioja, Eva; Shakespeare, A S

2013-03-15

Case Description-A 4.6-month-old pot-bellied pig was evaluated because of non-weight-bearing lameness (grade 5/5) in the right forelimb of 4 days' duration. Clinical Findings-Clinical and radiographic examination revealed a closed, lateral luxation of the right shoulder joint. Treatment and Outcome-Initial attempts at closed reduction failed to provide adequate stability of the shoulder joint. Open reduction and internal fixation by placement of 2 lateral tension sutures with a system designed for canine cranial cruciate ligament repair provided adequate joint stability and a successful outcome. Conclusions and Clinical Relevance-Stabilization of the shoulder joint with lateral tension sutures after open reduction should be considered for management of lateral shoulder luxation in pot-bellied pigs.

China’s Trade Opening: Implications for Regional Stability

DTIC Science & Technology

2002-08-01

China’s Trade Opening: Implications for Regional Stability by Howard M. Krawitz Strategic Forum China’s entry into the World Trade Orga-nization...Strategic Studies National Defense University Key Points No. 193, August 2002 Strategic Forum 1 Report Documentation Page Form ApprovedOMB No. 0704-0188...As the rule of law concept gains ground, it should promote development of a better- educated , more professional Chinese legal community (that is, law

The Three-Dimensional (3D) Numerical Stability Analysis of Hyttemalmen Open-Pit

NASA Astrophysics Data System (ADS)

Cała, Marek; Kowalski, Michał; Stopkowicz, Agnieszka

2014-10-01

The purpose of this paper was to perform the 3D numerical calculations allowing slope stability analysis of Hyttemalmen open pit (location Kirkenes, Finnmark Province, Norway). After a ramp rock slide, which took place in December 2010, as well as some other small-scale rock slope stability problems, it proved necessary to perform a serious stability analyses. The Hyttemalmen open pit was designed with a depth up to 100 m, a bench height of 24 m and a ramp width of 10 m. The rock formation in the iron mining district of Kirkenes is called the Bjornevaten Group. This is the most structurally complicated area connected with tectonic process such as folding, faults and metamorphosis. The Bjornevaten Group is a volcano-sedimentary sequence. Rock slope stability depends on the mechanical properties of the rock, hydro-geological conditions, slope topography, joint set systems and seismic activity. However, rock slope stability is mainly connected with joint sets. Joints, or general discontinuities, are regarded as weak planes within rock which have strength reducing consequences with regard to rock strength. Discontinuities within the rock mass lead to very low tensile strength. Several simulations were performed utilising the RocLab (2007) software to estimate the gneiss cohesion for slopes of different height. The RocLab code is dedicated to estimate rock mass strength using the Hoek-Brown failure criterion. Utilising both the GSI index and the Hoek-Brown strength criterion the equivalent Mohr-Coulomb parameters (cohesion and angle of internal friction) can be calculated. The results of 3D numerical calculations (with FLA3D code) show that it is necessary to redesign the slope-bench system in the Hyttemalmen open pit. Changing slope inclination for lower stages is recommended. The minimum factor of safety should be equal 1.3. At the final planned stage of excavation, the factor of safety drops to 1.06 with failure surface ranging through all of the slopes. In the case of a slope angle 70° for lower stages, FS = 1.26, which is not enough to provide slope stability. Another series of calculations were therefore performed taking water table lowering into consideration, which increases the global safety factor. It was finally evaluated, that for a water table level of 72 m the factor of safety equals 1.3, which is enough to assure global open-pit stability.

Packing interface energetics in different crystal forms of the λ Cro dimer.

PubMed

Ahlstrom, Logan S; Miyashita, Osamu

2014-07-01

Variation among crystal structures of the λ Cro dimer highlights conformational flexibility. The structures range from a wild type closed to a mutant fully open conformation, but it is unclear if each represents a stable solution state or if one may be the result of crystal packing. Here we use molecular dynamics (MD) simulation to investigate the energetics of crystal packing interfaces and the influence of site-directed mutagenesis on them in order to examine the effect of crystal packing on wild type and mutant Cro dimer conformation. Replica exchange MD of mutant Cro in solution shows that the observed conformational differences between the wild type and mutant protein are not the direct consequence of mutation. Instead, simulation of Cro in different crystal environments reveals that mutation affects the stability of crystal forms. Molecular Mechanics Poisson-Boltzmann Surface Area binding energy calculations reveal the detailed energetics of packing interfaces. Packing interfaces can have diverse properties in strength, energetic components, and some are stronger than the biological dimer interface. Further analysis shows that mutation can strengthen packing interfaces by as much as ∼5 kcal/mol in either crystal environment. Thus, in the case of Cro, mutation provides an additional energetic contribution during crystal formation that may stabilize a fully open higher energy state. Moreover, the effect of mutation in the lattice can extend to packing interfaces not involving mutation sites. Our results provide insight into possible models for the effect of crystallization on Cro conformational dynamics and emphasize careful consideration of protein crystal structures. © 2013 Wiley Periodicals, Inc.

Packing Interface Energetics in Different Crystal Forms of the λ Cro Dimer

PubMed Central

Ahlstrom, Logan S.; Miyashita, Osamu

2014-01-01

Variation among crystal structures of the λ Cro dimer highlights conformational flexibility. The structures range from a wild type closed to a mutant fully open conformation, but it is unclear if each represents a stable solution state or if one may be the result of crystal packing. Here we use molecular dynamics (MD) simulation to investigate the energetics of crystal packing interfaces and the influence of site-directed mutagenesis on them, in order to examine the effect of crystal packing on wild type and mutant Cro dimer conformation. Replica exchange MD of mutant Cro in solution shows that the observed conformational differences between the wild type and mutant protein are not the direct consequence of mutation. Instead, simulation of Cro in different crystal environments reveals that mutation affects the stability of crystal forms. Molecular Mechanics Poisson-Boltzmann Surface Area binding energy calculations reveal the detailed energetics of packing interfaces. Packing interfaces can have diverse properties in strength, energetic components, and some are stronger than the biological dimer interface. Further analysis shows that mutation can strengthen packing interfaces by as much as ~5 kcal/mol in either crystal environment. Thus, in the case of Cro, mutation provides an additional energetic contribution during crystal formation that may stabilize a fully open higher energy state. Moreover, the effect of mutation in the lattice can extend to packing interfaces not involving mutation sites. Our results provide insight into possible models for the effect of crystallization on Cro conformational dynamics and emphasize careful consideration of protein crystal structures. PMID:24218107

Results of a Study of Hong Kong and Taiwan Open Universities.

ERIC Educational Resources Information Center

Sherritt, Caroline

Although the National Open University of Taiwan (NOU) and Open University of Hong Kong (OUHK) both opened in the 1980s in environments of rapid economic growth and political stability, the NOU reflects traditional Chinese values whereas the OUHK merges Chinese and Western beliefs. Categorized as a "supplemental" school, the NOU occupies…

From axiomatics of quantum probability to modelling geological uncertainty and management of intelligent hydrocarbon reservoirs with the theory of open quantum systems.

PubMed

Lozada Aguilar, Miguel Ángel; Khrennikov, Andrei; Oleschko, Klaudia

2018-04-28

As was recently shown by the authors, quantum probability theory can be used for the modelling of the process of decision-making (e.g. probabilistic risk analysis) for macroscopic geophysical structures such as hydrocarbon reservoirs. This approach can be considered as a geophysical realization of Hilbert's programme on axiomatization of statistical models in physics (the famous sixth Hilbert problem). In this conceptual paper , we continue development of this approach to decision-making under uncertainty which is generated by complexity, variability, heterogeneity, anisotropy, as well as the restrictions to accessibility of subsurface structures. The belief state of a geological expert about the potential of exploring a hydrocarbon reservoir is continuously updated by outputs of measurements, and selection of mathematical models and scales of numerical simulation. These outputs can be treated as signals from the information environment E The dynamics of the belief state can be modelled with the aid of the theory of open quantum systems: a quantum state (representing uncertainty in beliefs) is dynamically modified through coupling with E ; stabilization to a steady state determines a decision strategy. In this paper, the process of decision-making about hydrocarbon reservoirs (e.g. 'explore or not?'; 'open new well or not?'; 'contaminated by water or not?'; 'double or triple porosity medium?') is modelled by using the Gorini-Kossakowski-Sudarshan-Lindblad equation. In our model, this equation describes the evolution of experts' predictions about a geophysical structure. We proceed with the information approach to quantum theory and the subjective interpretation of quantum probabilities (due to quantum Bayesianism).This article is part of the theme issue 'Hilbert's sixth problem'. © 2018 The Author(s).

From axiomatics of quantum probability to modelling geological uncertainty and management of intelligent hydrocarbon reservoirs with the theory of open quantum systems

NASA Astrophysics Data System (ADS)

Lozada Aguilar, Miguel Ángel; Khrennikov, Andrei; Oleschko, Klaudia

2018-04-01

As was recently shown by the authors, quantum probability theory can be used for the modelling of the process of decision-making (e.g. probabilistic risk analysis) for macroscopic geophysical structures such as hydrocarbon reservoirs. This approach can be considered as a geophysical realization of Hilbert's programme on axiomatization of statistical models in physics (the famous sixth Hilbert problem). In this conceptual paper, we continue development of this approach to decision-making under uncertainty which is generated by complexity, variability, heterogeneity, anisotropy, as well as the restrictions to accessibility of subsurface structures. The belief state of a geological expert about the potential of exploring a hydrocarbon reservoir is continuously updated by outputs of measurements, and selection of mathematical models and scales of numerical simulation. These outputs can be treated as signals from the information environment E. The dynamics of the belief state can be modelled with the aid of the theory of open quantum systems: a quantum state (representing uncertainty in beliefs) is dynamically modified through coupling with E; stabilization to a steady state determines a decision strategy. In this paper, the process of decision-making about hydrocarbon reservoirs (e.g. `explore or not?'; `open new well or not?'; `contaminated by water or not?'; `double or triple porosity medium?') is modelled by using the Gorini-Kossakowski-Sudarshan-Lindblad equation. In our model, this equation describes the evolution of experts' predictions about a geophysical structure. We proceed with the information approach to quantum theory and the subjective interpretation of quantum probabilities (due to quantum Bayesianism). This article is part of the theme issue `Hilbert's sixth problem'.

Orientations and Proximities of the Extracellular Ends of Transmembrane Helices S0 and S4 in Open and Closed BK Potassium Channels

PubMed Central

Wu, Roland S.; Chudasama, Neelesh; Zakharov, Sergey I.; Karlin, Arthur; Marx, Steven O.

2013-01-01

The large-conductance potassium channel (BK) α subunit contains a transmembrane (TM) helix S0 preceding the canonical TM helices S1 through S6. S0 lies between S4 and the TM2 helix of the regulatory β1 subunit. Pairs of Cys were substituted in the first helical turns in the membrane of BK α S0 and S4 and in β1 TM2. One such pair, W22C in S0 and W203C in S4, was 95% crosslinked endogenously. Under voltage-clamp conditions in outside-out patches, this crosslink was reduced by DTT and reoxidized by a membrane-impermeant bis-quaternary ammonium derivative of diamide. The rate constants for this reoxidation were not significantly different in the open and closed states of the channel. Thus, these two residues are approximately equally close in the two states. In addition, 90% crosslinking of a second pair, R20C in S0 and W203C in S4, had no effect on the V50 for opening. Taken together, these findings indicate that separation between residues at the extracellular ends of S0 and S4 is not required for voltage-sensor activation. On the contrary, even though W22C and W203C were equally likely to form a disulfide in the activated and deactivated states, relative immobilization by crosslinking of these two residues favored the activated state. Furthermore, the efficiency of recrosslinking of W22C and W203C on the cell surface was greater in the presence of the β1 subunit than in its absence, consistent with β1 acting through S0 to stabilize its immobilization relative to α S4. PMID:23472181

Investigating the effect of moisture protection on solid-state stability and dissolution of fenofibrate and ketoconazole solid dispersions using PXRD, HSDSC and Raman microscopy.

PubMed

Kanaujia, Parijat; Lau, Grace; Ng, Wai Kiong; Widjaja, Effendi; Schreyer, Martin; Hanefeld, Andrea; Fischbach, Matthias; Saal, Christoph; Maio, Mario; Tan, Reginald B H

2011-09-01

Enhanced dissolution of poorly soluble active pharmaceutical ingredients (APIs) in amorphous solid dispersions often diminishes during storage due to moisture-induced re-crystallization. This study aims to investigate the influence of moisture protection on solid-state stability and dissolution profiles of melt-extruded fenofibrate (FF) and ketoconazole (KC) solid dispersions. Samples were kept in open, closed and Activ-vials(®) to control the moisture uptake under accelerated conditions. During 13-week storage, changes in API crystallinity were quantified using powder X-ray diffraction (PXRD) (Rietveld analysis) and high sensitivity differential scanning calorimetry (HSDSC) and compared with any change in dissolution profiles. Trace crystallinity was observed by Raman microscopy, which otherwise was undetected by PXRD and HSDSC. Results showed that while moisture protection was ineffective in preventing the re-crystallization of amorphous FF, KC remained X-ray amorphous despite 5% moisture uptake. Regardless of the degree of crystallinity increase in FF, the enhanced dissolution properties were similarly diminished. Moisture uptake above 10% in KC samples also led to re-crystallization and significant decrease in dissolution rates. In conclusion, eliminating moisture sorption may not be sufficient in ensuring the stability of solid dispersions. Analytical quantification of API crystallinity is crucial in detecting subtle increase in crystallinity that can diminish the enhanced dissolution properties of solid dispersions.

Insight into the Phosphodiesterase Mechanism from Combined QM/MM Free Energy Simulations

PubMed Central

Wong, Kin-Yiu; Gao, Jiali

2011-01-01

Summary Molecular dynamics simulations employing a combined quantum mechanical and molecular mechanical potential have been carried out to elucidate the reaction mechanism of the hydrolysis of a cyclic nucleotide cAMP substrate by phosphodiesterase 4B (PDE4B). PDE4B is a member of the PDE superfamily of enzymes that play crucial roles in cellular signal transduction. We have determined a two-dimensional potential of mean force for the coupled phosphoryl bond cleavage and proton transfer through a general acid catalysis mechanism in PDE4B. The results indicate that the ring-opening process takes place through an SN2 reaction mechanism, followed by a proton transfer to stabilize the leaving group. The computed free energy of activation for the PDE4B-catalyzed cAMP hydrolysis is about 13 kcal/mol and an overall reaction free energy is about −17 kcal/mol, both in accord with experimental results. In comparison with the uncatalyzed reaction in water, the enzyme PDE4B provides a strong stabilization of the transition state, lowering the free energy barrier by 14 kcal/mol. We found that the proton transfer from the general acid residue His234 to the O3' oxyanion of the ribosyl leaving group lags behind the nucleophilic attack, resulting in a shallow minimum on the free energy surface. A key contributing factor to transition state stabilization is the elongation of the distance between the divalent metal ions Zn2+ and Mg2+ in the active site as the reaction proceeds from the Michaelis complex to the transition state. PMID:21595828

High catalytic activity of Au/CeOx/TiO2(110) controlled by the nature of the mixed-metal oxide at the nanometer level.

PubMed

Park, Joon B; Graciani, Jesus; Evans, Jaime; Stacchiola, Dario; Ma, Shuguo; Liu, Ping; Nambu, Akira; Sanz, Javier Fernández; Hrbek, Jan; Rodriguez, José A

2009-03-31

Mixed-metal oxides play a very important role in many areas of chemistry, physics, materials science, and geochemistry. Recently, there has been a strong interest in understanding phenomena associated with the deposition of oxide nanoparticles on the surface of a second (host) oxide. Here, scanning tunneling microscopy, photoemission, and density-functional calculations are used to study the behavior of ceria nanoparticles deposited on a TiO(2)(110) surface. The titania substrate imposes nontypical coordination modes on the ceria nanoparticles. In the CeO(x)/TiO(2)(110) systems, the Ce cations adopt an structural geometry and an oxidation state (+3) that are quite different from those seen in bulk ceria or for ceria nanoparticles deposited on metal substrates. The increase in the stability of the Ce(3+) oxidation state leads to an enhancement in the chemical and catalytic activity of the ceria nanoparticles. The codeposition of ceria and gold nanoparticles on a TiO(2)(110) substrate generates catalysts with an extremely high activity for the production of hydrogen through the water-gas shift reaction (H(2)O + CO --> H(2) + CO(2)) or for the oxidation of carbon monoxide (2CO + O(2) --> 2CO(2)). The enhanced stability of the Ce(3+) state is an example of structural promotion in catalysis described here on the atomic level. The exploration of mixed-metal oxides at the nanometer level may open avenues for optimizing catalysts through stabilization of unconventional surface structures with special chemical activity.

Open Bankart repair for revision of failed prior stabilization: outcome analysis at a mean of more than 10 years.

PubMed

Neviaser, Andrew S; Benke, Michael T; Neviaser, Robert J

2015-06-01

The purpose of this study was to analyze the outcome of open Bankart repair for failed stabilization surgery at a mean follow-up of >10 years. Thirty patients underwent revision open Bankart repair by a single surgeon for failed prior stabilization surgery, with a standard technique and postoperative rehabilitation. All patients were referred by other surgeons. Evaluation was by an independent examiner, at a mean follow-up of 10.2 years. Evaluation included a history, physical examination for range of motion, outcome scores, recurrence, return to athletics, and radiographic examination. All cases had persistent Bankart and Hill-Sachs lesions. Failures included 14 patients with a failed single arthroscopic Bankart repair; 1 patient with 2 failed arthroscopic Bankart repairs; 1 patient with an arthroscopic failure and an open Bankart repair; 7 patients with failed open Bankart repairs; and 1 patient with a failed open Bankart repair, then a failed arthroscopic attempt. Two patients had had thermal capsulorrhaphy; 2 others had staple capsulorrhaphy, 1 with an open capsular shift and 1 after a failed arthroscopic Bankart repair, an open Bankart repair, and then a coracoid transfer. All arthroscopic Bankart repairs had anchors placed medial and superior on the glenoid neck. Mean motion loss compared with the normal contralateral side was as follows: elevation 1.15°, abduction 4.2°, external rotation at the side 3.2°, external rotation in abduction 5.1°, and internal rotation 0.6 vertebral levels (NS). No patient had an apprehension sign, pain, or instability. Of 23 who played sports, 22 resumed after. Outcomes scores were as follows: American Shoulder and Elbow Surgeons, 89.44; Rowe, 86.67; Western Ontario Shoulder Instability Index, 476.26. On radiographic examination, there were 13 normal radiographs and 7 with mild, 2 with moderate, and 0 with severe arthritic changes. The open Bankart repair offers a reliable, consistently successful option for revision of failed stabilizations. Copyright © 2015 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Chasing the open-state structure of pentameric ligand-gated ion channels

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonzalez-Gutierrez, Giovanni; Wang, Yuhang; Cymes, Gisela D.

Remarkable advances have been made toward the structural characterization of ion channels in the last two decades. However, the unambiguous assignment of well-defined functional states to the obtained structural models has proved challenging. In the case of the superfamily of nicotinic-receptor channels (also referred to as pentameric ligand-gated ion channels [pLGICs]), for example, two different types of model of the open-channel conformation have been proposed on the basis of structures solved to resolutions better than 4.0 Å. At the level of the transmembrane pore, the open-state models of the proton-gated pLGIC fromGloeobacter violaceus(GLIC) and the invertebrate glutamate-gated Cl –channel (GluCl)more » are very similar to each other, but that of the glycine receptor (GlyR) is considerably wider. Indeed, the mean distances between the axis of ion permeation and the Cα atoms at the narrowest constriction of the pore (position -2') differ by ~2 Å in these two classes of model, a large difference when it comes to understanding the physicochemical bases of ion conduction and charge selectivity. Here, we take advantage of the extreme open-channel stabilizing effect of mutations at pore-facing position 9'. We find that the I9'A mutation slows down entry into desensitization of GLIC to the extent that macroscopic currents decay only slightly by the end of pH 4.5 solution applications to the extracellular side for several minutes. We crystallize (at pH 4.5) two variants of GLIC carrying this mutation and solve their structures to resolutions of 3.12 Å and 3.36 Å. Furthermore, we perform all-atom molecular dynamics simulations of ion permeation and picrotoxinin block, using the different open-channel structural models. On the basis of these results, we favor the notion that the open-channel structure of pLGICs from animals is much closer to that of the narrow models (of GLIC and GluCl) than it is to that of the GlyR.« less

Stability of recursive out-of-sequence measurement filters: an open problem

NASA Astrophysics Data System (ADS)

Chen, Lingji; Moshtagh, Nima; Mehra, Raman K.

2011-06-01

In many applications where communication delays are present, measurements with earlier time stamps can arrive out-of-sequence, i.e., after state estimates have been obtained for the current time instant. To incorporate such an Out-Of-Sequence Measurement (OOSM), many algorithms have been proposed in the literature to obtain or approximate the optimal estimate that would have been obtained if the OOSM had arrived in-sequence. When OOSM occurs repeatedly, approximate estimations as a result of incorporating one OOSM have to serve as the basis for incorporating yet another OOSM. The question of whether the "approximation of approximation" is well behaved, i.e., whether approximation errors accumulate in a recursive setting, has not been adequately addressed in the literature. This paper draws attention to the stability question of recursive OOSM processing filters, formulates the problem in a specific setting, and presents some simulation results that suggest that such filters are indeed well-behaved. Our hope is that more research will be conducted in the future to rigorously establish stability properties of these filters.

Investigation of the Stability and Control Characteristics of a 1/20-Scale Model of the Consolidated Vultee XB-53 Airplane in the Langley Free-Flight Tunnel

NASA Technical Reports Server (NTRS)

Bennett, Charles V.

1947-01-01

An investigation of the low-speed, power-off stability and control characteristics of a 1/20-scale model of the Consolidated Vultee XB-53 airplane has been conducted in the Langley free-flight tunnel. In the investigation it was found that with flaps neutral satisfactory flight behavior at low speeds was obtainable with an increase in height of the vertical tail and with the inboard slats opened. In the flap-down slat-open condition the longitudinal stability was satisfactory, but it was impossible to obtain satisfactory lateral-flight characteristics even with the increase in height of the vertical tail because of the negative effective dihedral, low directional stability, and large-adverse yawing moments of the ailerons.

Reactivity of nonaqueous organic electrolytes towards lithium

NASA Technical Reports Server (NTRS)

Shen, D. H.; Subbarao, S.; Deligiannis, F.; Huang, C.-K.; Halpert, G.

1990-01-01

The successful operation of an ambient temperature secondary lithium cell is primarily dependent on the stability of the electrolyte towards lithium. The lithium electrode on open circuit must be inert towards the electrolyte to achieve a long shelf life. The reactivity of tetrahydrofuran and 2-methyltetrahydrofuran based electrolytes with additives such as 2-methylfuran, ethylene carbonate, propylene carbonate, and 3-methylsulfolane was investigated by microcalorimetry and ac impedance spectroscopy techniques. Also the stability of electrolytes by open circuit stand tests was studied. Addition of ethylene carbonate and 2-methylfuran additives was found to improve the stability of tetrahydrofuran and 2-methyltetrahydrofuran based electrolytes. Long term microcalorimetry and ac impedance data clearly confirmed the higher stability of ethylene carbonate/2-methyltetrahydrofuran electrolyte compared to the 2-methyltetrahydrofuran and propylene carbonate/2-methyltetrahydrofuran electrolytes.

The effect of reflexotherapy and massage therapy on vital signs and stress before coronary angiography: An open-label clinical trial.

PubMed

Khaledifar, Ali; Nasiri, Marzeih; Khaledifar, Borzoo; Khaledifar, Arsalan; Mokhtari, Ali

2017-03-01

Complementary medicine interventions are now successfully used to reduce stress as well as to stabilize hemodynamic indices within different procedures. The present study aimed to examine the effect of massage therapy and reflexotherapy on reducing stress in patients before coronary angiography. In this open-label clinical trial, 75 consecutive patients who were candidate for coronary angiography were randomly assigned to receive reflexotherapy (n = 25), or massage therapy (n = 25), or routine care (n = 25) before angiography. The Spielberger State-Trait Anxiety Inventory was used to determine the stress level of patients before and after interventions and vital signs were also measured. Improvement in diastolic blood pressure, heart rate, and respiratory rate was shown in the reflexotherapy group, and similar effects were observed following other interventions including massage therapy and routine resting program. In subjects who received reflexotherapy the level of stress decreased slightly compared with the other two groups. However, following interventions the level of stress in reflexotherapy group was shown to be lower than other study groups. Reflexotherapy before coronary angiography can help to stabilize vital sign as well as reduce the level of stress. The effect of massage therapy was limited to reducing stress.

Effect of pole zero location on system dynamics of boost converter for micro grid

NASA Astrophysics Data System (ADS)

Lavanya, A.; Vijayakumar, K.; Navamani, J. D.; Jayaseelan, N.

2018-04-01

Green clean energy like photo voltaic, wind energy, fuel cell can be brought together by microgrid.For low voltage sources like photovoltaic cell boost converter is very much essential. This paper explores the dynamic analysis of boost converter in a continuous conduction mode (CCM). The transient performance and stability analysis is carried out in this paper using time domain analysis and frequency domain analysis techniques. Boost converter is simulated using both PSIM and MATLAB software. Furthermore, state space model obtained and the transfer function is derived. The converter behaviour when a step input is applied is analyzed and stability of the converter is analyzed from bode plot frequency for open loop. Effect of the locations of poles and zeros in the transfer function of boost converter and how the performance parameters are affected is discussed in this paper. Closed loop performance with PI controller is also analyzed for boost converter.

Stabilization and immobilization of military plutonium: A non-proliferation perspective

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leventhal, P.

1996-05-01

The Nuclear Control Institute welcomes this DOE-sponsored technical workshop on stabilization and immobilization of weapons plutonium (W Pu) because of the significant contribution it can make toward the ultimate non-proliferation objective of eliminating weapons-usable nuclear material, plutonium and highly enriched uranium (HEU), from world commerce. The risk of theft or diversion of these materials warrants concern, as only a few kilograms in the hands of terrorists or threshold states would give them the capability to build nuclear weapons. Military plutonium disposition questions cannot be addressed in isolation from civilian plutonium issues. The National Academy of Sciences has urged that {open_quotes}furthermore » steps should be taken to reduce the proliferation risks posed by all of the world`s plutonium stocks, military and civilian, separated and unseparated...{close_quotes}. This report discusses vitrification and a mixed oxide fuels option, and the effects of disposition choices on civilian plutonium fuel cycles.« less

First-principles study of direct and narrow band gap semiconducting β -CuGaO 2

DOE PAGES

Nguyen, Manh Cuong; Zhao, Xin; Wang, Cai-Zhuang; ...

2015-04-16

Semiconducting oxides have attracted much attention due to their great stability in air or water and the abundance of oxygen. Recent success in synthesizing a metastable phase of CuGaO 2 with direct narrow band gap opens up new applications of semiconducting oxides as absorber layer for photovoltaics. Using first-principles density functional theory calculations, we investigate the thermodynamic and mechanical stabilities as well as the structural and electronic properties of the β-CuGaO 2 phase. Our calculations show that the β-CuGaO 2 structure is dynamically and mechanically stable. The energy band gap is confirmed to be direct at the Γ point ofmore » Brillouin zone. In conclusion, the optical absorption occurs right at the band gap edge and the density of states near the valance band maximum is large, inducing an intense absorption of light as observed in experiment.« less

Synthesis and characterization of triangulene

NASA Astrophysics Data System (ADS)

Pavliček, Niko; Mistry, Anish; Majzik, Zsolt; Moll, Nikolaj; Meyer, Gerhard; Fox, David J.; Gross, Leo

2017-05-01

Triangulene, the smallest triplet-ground-state polybenzenoid (also known as Clar's hydrocarbon), has been an enigmatic molecule ever since its existence was first hypothesized. Despite containing an even number of carbons (22, in six fused benzene rings), it is not possible to draw Kekulé-style resonant structures for the whole molecule: any attempt results in two unpaired valence electrons. Synthesis and characterization of unsubstituted triangulene has not been achieved because of its extreme reactivity, although the addition of substituents has allowed the stabilization and synthesis of the triangulene core and verification of the triplet ground state via electron paramagnetic resonance measurements. Here we show the on-surface generation of unsubstituted triangulene that consists of six fused benzene rings. The tip of a combined scanning tunnelling and atomic force microscope (STM/AFM) was used to dehydrogenate precursor molecules. STM measurements in combination with density functional theory (DFT) calculations confirmed that triangulene keeps its free-molecule properties on the surface, whereas AFM measurements resolved its planar, threefold symmetric molecular structure. The unique topology of such non-Kekulé hydrocarbons results in open-shell π-conjugated graphene fragments that give rise to high-spin ground states, potentially useful in organic spintronic devices. Our generation method renders manifold experiments possible to investigate triangulene and related open-shell fragments at the single-molecule level.

Assessing the mean strength and variations of the time-to-time fluctuations of resting-state brain activity.

PubMed

Li, Zhengjun; Zang, Yu-Feng; Ding, Jianping; Wang, Ze

2017-04-01

The time-to-time fluctuations (TTFs) of resting-state brain activity as captured by resting-state fMRI (rsfMRI) have been repeatedly shown to be informative of functional brain structures and disease-related alterations. TTFs can be characterized by the mean and the range of successive difference. The former can be measured with the mean squared successive difference (MSSD), which is mathematically similar to standard deviation; the latter can be calculated by the variability of the successive difference (VSD). The purpose of this study was to evaluate both the resting state-MSSD and VSD of rsfMRI regarding their test-retest stability, sensitivity to brain state change, as well as their biological meanings. We hypothesized that MSSD and VSD are reliable in resting brain; both measures are sensitive to brain state changes such as eyes-open compared to eyes-closed condition; both are predictive of age. These hypotheses were tested with three rsfMRI datasets and proven true, suggesting both MSSD and VSD as reliable and useful tools for resting-state studies.

Ground and excited state properties of high performance anthocyanidin dyes-sensitized solar cells in the basic solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Prima, Eka Cahya; Computational Material Design and Quantum Engineering Laboratory, Engineering Physics, Institut Teknologi Bandung; International Program on Science Education, Universitas Pendidikan Indonesia

2015-09-30

The aglycones of anthocyanidin dyes were previously reported to form carbinol pseudobase, cis-chalcone, and trans-chalcone due to the basic levels. The further investigations of ground and excited state properties of the dyes were characterized using density functional theory with PCM(UFF)/B3LYP/6-31+G(d,p) level in the basic solutions. However, to the best of our knowledge, the theoretical investigation of their potential photosensitizers has never been reported before. In this paper, the theoretical photovoltaic properties sensitized by dyes have been successfully investigated including the electron injections, the ground and excited state oxidation potentials, the estimated open circuit voltages, and the light harvesting efficiencies. Themore » results prove that the electronic properties represented by dyes’ LUMO-HOMO levels will affect to the photovoltaic performances. Cis-chalcone dye is the best anthocyanidin aglycone dye with the electron injection spontaneity of −1.208 eV, the theoretical open circuit voltage of 1.781 V, and light harvesting efficiency of 56.55% due to the best HOMO-LUMO levels. Moreover, the ethanol solvent slightly contributes to the better cell performance than the water solvent dye because of the better oxidation potential stabilization in the ground state as well as in the excited state. These results are in good agreement with the known experimental report that the aglycones of anthocyanidin dyes in basic solvent are the high potential photosensitizers for dye-sensitized solar cell.« less

Postural stability changes during large vertical diplopia induced by prism wear in normal subjects.

PubMed

Matsuo, Toshihiko; Yamasaki, Hanako; Yasuhara, Hirotaka; Hasebe, Kayoko

2013-01-01

To test the effect of double vision on postural stability, we measured postural stability by electric stabilometry before prism-wearing and immediately, 15, 30, and 60min after continuous prism-wearing with 6 prism diopters in total (a 3-prism-diopter prism placed with the base up in front of one eye and with the base down in front of the other eye) in 20 normal adult individuals with their eyes open or closed. Changes in stabilometric parameters in the time course of 60min were analyzed statistically by repeated-measure analysis of variance. When subjectsｾ eyes were closed, the total linear length (cm) and the unit-time length (cm/sec) of the sway path were significantly shortened during the 60-minute prism-wearing (p＜0.05). No significant change was noted in any stabilometric parameters obtained with the eyes open during the time course. In conclusion, postural stability did not change with the eyes open in the condition of large vertical diplopia, induced by prism-wearing for 60min, while the stability became better when measured with the eyes closed. A postural control mechanism other than that derived from visual input might be reinforced under abnormal visual input such as non-fusionable diplopia.

Mesoporous titanium phosphate molecular sieves with ion-exchange capacity.

PubMed

Bhaumik, A; Inagaki, S

2001-01-31

Novel open framework molecular sieves, titanium(IV) phosphates named, i.e., TCM-7 and -8 (Toyota Composite Materials, numbers 7 and 8), with new mesoporous cationic framework topologies obtained by using both cationic and anionic surfactants are reported. The (31)P MAS NMR, UV-visible absorption, and XANES data suggest the tetrahedral state of P and Ti, and stabilization of the tetrahedral state of Ti in TCM-7/8 is due to the incorporation of phosphorus (at Ti/P = 1:1) vis-à-vis the most stable octahedral state of Ti in the pure mesoporous TiO(2). Mesoporous TCM-7 and -8 show anion exchange capacity due to the framework phosphonium cation and cation exchange capacity due to defective P-OH groups. The high catalytic activity in the liquid-phase partial oxidation of cyclohexene with a dilute H(2)O(2) oxidant supports the tetrahedral coordination of Ti in these materials.

Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe2

NASA Astrophysics Data System (ADS)

Hellgren, Maria; Baima, Jacopo; Bianco, Raffaello; Calandra, Matteo; Mauri, Francesco; Wirtz, Ludger

2017-10-01

We show that the inclusion of screened exchange via hybrid functionals provides a unified description of the electronic and vibrational properties of TiSe2 . In contrast to local approximations in density functional theory, the explicit inclusion of exact, nonlocal exchange captures the effects of the electron-electron interaction needed to both separate the Ti -d states from the Se -p states and stabilize the charge-density-wave (CDW) (or low-T ) phase through the formation of a p -d hybridized state. We further show that this leads to an enhanced electron-phonon coupling that can drive the transition even if a small gap opens in the high-T phase. Finally, we demonstrate that the hybrid functionals can generate a CDW phase where the electronic bands, the geometry, and the phonon frequencies are in agreement with experiments.

Hydration states of AFm cement phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baquerizo, Luis G., E-mail: luis.baquerizoibarra@holcim.com; Matschei, Thomas; Scrivener, Karen L.

2015-07-15

The AFm phase, one of the main products formed during the hydration of Portland and calcium aluminate cement based systems, belongs to the layered double hydrate (LDH) family having positively charged layers and water plus charge-balancing anions in the interlayer. It is known that these phases present different hydration states (i.e. varying water content) depending on the relative humidity (RH), temperature and anion type, which might be linked to volume changes (swelling and shrinkage). Unfortunately the stability conditions of these phases are insufficiently reported. This paper presents novel experimental results on the different hydration states of the most important AFmmore » phases: monocarboaluminate, hemicarboaluminate, strätlingite, hydroxy-AFm and monosulfoaluminate, and the thermodynamic properties associated with changes in their water content during absorption/desorption. This data opens the possibility to model the response of cementitious systems during drying and wetting and to engineer systems more resistant to harsh external conditions.« less

Parallel Polarization State Generation

NASA Astrophysics Data System (ADS)

She, Alan; Capasso, Federico

2016-05-01

The control of polarization, an essential property of light, is of wide scientific and technological interest. The general problem of generating arbitrary time-varying states of polarization (SOP) has always been mathematically formulated by a series of linear transformations, i.e. a product of matrices, imposing a serial architecture. Here we show a parallel architecture described by a sum of matrices. The theory is experimentally demonstrated by modulating spatially-separated polarization components of a laser using a digital micromirror device that are subsequently beam combined. This method greatly expands the parameter space for engineering devices that control polarization. Consequently, performance characteristics, such as speed, stability, and spectral range, are entirely dictated by the technologies of optical intensity modulation, including absorption, reflection, emission, and scattering. This opens up important prospects for polarization state generation (PSG) with unique performance characteristics with applications in spectroscopic ellipsometry, spectropolarimetry, communications, imaging, and security.

Off-plane polarization ordering in metal chalcogen diphosphates from bulk to monolayer

NASA Astrophysics Data System (ADS)

Song, Wenshen; Fei, Ruixiang; Yang, Li

2017-12-01

Vertically (off-plane) ferroelectric ordering in ultrathin films has been pursued for decades. We predict the existence of intrinsic vertical polarization orderings in ultrathin metal chalcogen-diphosphates (MCDs). Taking CuInP2Se6 as an example, the first-principles calculation and electrostatic-energy model show that, under the open-circuit boundary condition, the ground state of bulk CuInP2Se6 is ferroelectric (FE) while that of monolayer is antiferroelectric (AFE), and the critical thickness for this FE/AFE transition is around six layers. Interestingly, under the closed-circuit boundary condition, the FE state can hold even for monolayer. Particularly, because of the small energy difference but the large barrier between FE and AFE orderings, the FE state can be stabilized in a free-standing monolayer, giving rise to intrinsic, off-plane two-dimensional ferroelectrics. Applying Monte Carlo simulations, we further calculate the ferroelectric Curie temperature (Tc) and electric hysteresis.

Open bite: diagnosis, treatment and stability.

PubMed

Matsumoto, Mírian Aiko Nakane; Romano, Fábio Lourenço; Ferreira, José Tarcísio Lima; Valério, Rodrigo Alexandre

2012-01-01

Open bite has fascinated Orthodontics due to the difficulties regarding its treatment and maintenance of results. This anomaly has distinct characteristics that, in addition to the complexity of multiple etiological factors, have aesthetic and functional consequences. Within this etiological context, several types of mechanics have been used in open bite treatment, such as palatal crib, orthopedic forces, occlusal adjustment, orthodontic camouflage with or without extraction, orthodontic intervention using mini-implants or mini-plates, and even orthognathic surgery. An accurate diagnosis and etiological determination are always the best guides to establish the objectives and the ideal treatment plan for such a malocclusion. This report describes two cases of open bite. At the end of the treatment, both patients had their canines and molars in Class I occlusion, normal overjet and overbite, and stability during the posttreatment period.

Basin stability measure of different steady states in coupled oscillators

NASA Astrophysics Data System (ADS)

Rakshit, Sarbendu; Bera, Bidesh K.; Majhi, Soumen; Hens, Chittaranjan; Ghosh, Dibakar

2017-04-01

In this report, we investigate the stabilization of saddle fixed points in coupled oscillators where individual oscillators exhibit the saddle fixed points. The coupled oscillators may have two structurally different types of suppressed states, namely amplitude death and oscillation death. The stabilization of saddle equilibrium point refers to the amplitude death state where oscillations are ceased and all the oscillators converge to the single stable steady state via inverse pitchfork bifurcation. Due to multistability features of oscillation death states, linear stability theory fails to analyze the stability of such states analytically, so we quantify all the states by basin stability measurement which is an universal nonlocal nonlinear concept and it interplays with the volume of basins of attractions. We also observe multi-clustered oscillation death states in a random network and measure them using basin stability framework. To explore such phenomena we choose a network of coupled Duffing-Holmes and Lorenz oscillators which are interacting through mean-field coupling. We investigate how basin stability for different steady states depends on mean-field density and coupling strength. We also analytically derive stability conditions for different steady states and confirm by rigorous bifurcation analysis.

Do Crisis Response Operations Affect Political and Economic Stability?

DTIC Science & Technology

2003-05-01

military presence itself actually affects overall levels of political and economic stability is still an open question. We look at the following two...relationship between military actions and political and economic stability . In this paper, we focus only on the crisis response piece of the overseas presence issue.

Design and Validation of a Low-Cost Portable Device to Quantify Postural Stability.

PubMed

Zhu, Yong

2017-03-18

Measurement of the displacement of the center-of-pressure (COP) is an important tool used in biomechanics to assess postural stability and human balance. The goal of this research was to design and validate a low-cost portable device that can offer a quick indication of the state of postural stability and human balance related conditions. Approximate entropy (ApEn) values reflecting the amount of irregularity hiding in COP oscillations were used to calculate the index. The prototype adopted a portable design using the measurements of the load cells located at the four corners of a low-cost force platform. The test subject was asked to stand on the device in a quiet, normal, upright stance for 30 s with eyes open and subsequently for 30 s with eyes closed. Based on the COP displacement signals, the ApEn values were calculated. The results indicated that the prototype device was capable of capturing the increase in regularity of postural control in the visual-deprivation conditions. It was also able to decipher the subtle postural control differences along anterior-posterior and medial-lateral directions. The data analysis demonstrated that the prototype would enable the quantification of postural stability and thus provide a low-cost portable device to assess many conditions related to postural stability and human balance such as aging and pathologies.

Three year stability of Five-Factor Model personality traits in relation to changes in symptom levels in patients with schizophrenia or related disorders.

PubMed

Boyette, Lindy-Lou; Nederlof, Jan; Meijer, Carin; de Boer, Froukje; de Haan, Lieuwe

2015-09-30

Five-Factor Model (FFM) personality traits are related to a wide range of clinical outcome in patients with psychotic disorders. However, it is not sufficiently clear whether psychotic illness, particularly fluctuation in negative symptoms and psychotic relapse, affects personality. The current study examined the 3-year temporal stability of FFM traits in 91 patients with non-affective psychotic disorders with a maximum duration of illness of 10 years and 32 control subjects without a (family member with) a diagnosis of psychotic illness. In patients, change in negative symptoms predicted changes in Neuroticism and (inversely) in Extraversion and Openness. However, when correcting for depressive symptoms, negative symptoms no longer predicted change in any FFM trait. Clinical characteristics, such as psychotic relapse, were also not found to be related to change in FFM traits. Patients showed a slight increase in Conscientiousness levels, the other FFM traits showed mean-level stability. Rank-order stability of the FFM traits was moderate to strong, although weaker for Neuroticism in patients. Our findings indicate that psychotic symptoms exert limited effect on the stability of FFM traits in patients with psychotic disorders. Consistent with general population findings, one should guard against state-trait confusion between Neuroticism/Extraversion and depression. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Relationship between masticatory performance using a gummy jelly and masticatory movement.

PubMed

Uesugi, Hanako; Shiga, Hiroshi

2017-10-01

The purpose of this study was to clarify the relationship between masticatory performance using a gummy jelly and masticatory movement. Thirty healthy males were asked to chew a gummy jelly on their habitual chewing side for 20s, and the parameters of masticatory performance and masticatory movement were calculated as follows. For evaluating the masticatory performance, the amount of glucose extraction during chewing of a gummy jelly was measured. For evaluating the masticatory movement, the movement of the mandibular incisal point was recorded using the MKG K6-I, and ten parameters of the movement path (opening distance and masticatory width), movement rhythm (opening time, closing time, occluding time, and cycle time), stability of movement (stability of path and stability of rhythm), and movement velocity (opening maximum velocity and closing maximum velocity) were calculated from 10 cycles of chewing beginning with the fifth cycle. The relationship between the amount of glucose extraction and parameters representing masticatory movement was investigated and then stepwise multiple linear regression analysis was performed. The amount of glucose extraction was associated with 7 parameters representing the masticatory movement. Stepwise multiple linear regression analysis showed that the opening distance, closing time, stability of rhythm, and closing maximum velocity were the most important factors affecting the glucose extraction. From these results it was suggested that there was a close relation between masticatory performance and masticatory movement, and that the masticatory performance could be increased by rhythmic, rapid and stable mastication with a large opening distance. Copyright © 2017 Japan Prosthodontic Society. Published by Elsevier Ltd. All rights reserved.

Analysis of the irreversible process of proton transport in the purple membrane of Halobacterium halobium.

PubMed

Hong, T; Manqi, T

1980-04-01

The proton transport across biological membrane, accompanied by energy transformation, is closely related with many basic processes involved in the maintenance of life. Active researches are carried out in this field, but so far we have not known a complete calculation. This paper presents a model of an open and closed photon-controlled ion pore with a quantitative analysis of the irreversible process of the proton transport across the purple membrane. Upon absorbing photon by the purple membrane, the deprotonation of the Schiff base causes the ion pore to open, but it will close when it returns to bR570. A set of nonlinear differential equations describing this model is given. The stability of the equations is discussed. The results of the numerical calculation for steady state are found in good agreement with the experimental data of Bakker.

An external sodium ion binding site controls allosteric gating in TRPV1 channels

PubMed Central

Jara-Oseguera, Andres; Bae, Chanhyung; Swartz, Kenton J

2016-01-01

TRPV1 channels in sensory neurons are integrators of painful stimuli and heat, yet how they integrate diverse stimuli and sense temperature remains elusive. Here, we show that external sodium ions stabilize the TRPV1 channel in a closed state, such that removing the external ion leads to channel activation. In studying the underlying mechanism, we find that the temperature sensors in TRPV1 activate in two steps to favor opening, and that the binding of sodium to an extracellular site exerts allosteric control over temperature-sensor activation and opening of the pore. The binding of a tarantula toxin to the external pore also exerts control over temperature-sensor activation, whereas binding of vanilloids influences temperature-sensitivity by largely affecting the open/closed equilibrium. Our results reveal a fundamental role of the external pore in the allosteric control of TRPV1 channel gating and provide essential constraints for understanding how these channels can be tuned by diverse stimuli. DOI: http://dx.doi.org/10.7554/eLife.13356.001 PMID:26882503

Hubbard physics in the PAW GW approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P.

It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxidemore » are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.« less

Computational Study on the Inhibitor Binding Mode and Allosteric Regulation Mechanism in Hepatitis C Virus NS3/4A Protein

PubMed Central

Xue, Weiwei; Yang, Ying; Wang, Xiaoting; Liu, Huanxiang; Yao, Xiaojun

2014-01-01

HCV NS3/4A protein is an attractive therapeutic target responsible for harboring serine protease and RNA helicase activities during the viral replication. Small molecules binding at the interface between the protease and helicase domains can stabilize the closed conformation of the protein and thus block the catalytic function of HCV NS3/4A protein via an allosteric regulation mechanism. But the detailed mechanism remains elusive. Here, we aimed to provide some insight into the inhibitor binding mode and allosteric regulation mechanism of HCV NS3/4A protein by using computational methods. Four simulation systems were investigated. They include: apo state of HCV NS3/4A protein, HCV NS3/4A protein in complex with an allosteric inhibitor and the truncated form of the above two systems. The molecular dynamics simulation results indicate HCV NS3/4A protein in complex with the allosteric inhibitor 4VA adopts a closed conformation (inactive state), while the truncated apo protein adopts an open conformation (active state). Further residue interaction network analysis suggests the communication of the domain-domain interface play an important role in the transition from closed to open conformation of HCV NS3/4A protein. However, the inhibitor stabilizes the closed conformation through interaction with several key residues from both the protease and helicase domains, including His57, Asp79, Asp81, Asp168, Met485, Cys525 and Asp527, which blocks the information communication between the functional domains interface. Finally, a dynamic model about the allosteric regulation and conformational changes of HCV NS3/4A protein was proposed and could provide fundamental insights into the allosteric mechanism of HCV NS3/4A protein function regulation and design of new potent inhibitors. PMID:24586263

Texas lignite mining: Groundwater and slope stability control in the nineties and beyond

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lawrence J.

As lignite mining in Texas approaches and exceeds depths of 200 feet below ground level, rising costs demand that innovative mining approaches be used in order to maintain the economic viability of lignite mining. Groundwater and slope stability problems multiply at these depths, resulting in increasing focus on how to control these costs. Dewatering costs are consistently rising for the lignite industry, as deeper mining encounters more and larger saturated sand bodies. These sands require dewatering in order to improve slope stability. Planning and analysis become more important as the number of wells grows beyond what can be managed withmore » a simple {open_quotes}cookie-cutter{close_quotes} approach. Slope stability plays an increasing role in mining concerns as deeper lignite is recovered. Slope stability causes several problems, including loss of lignite, increased rehandle, and hazards to personnel and equipment. Traditional lignite mine planning involved a fairly {open_quotes}generic{close_quotes} pit design with one design highwall angle, one design spoil angle, and little geotechnical evaluation of the deposit. This {open_quotes}one mine-one design{close_quotes} approach, while cost-effective in the past, is now being replaced by a more critical analysis of the design requirements of each area. Geotechnical evaluation plays an increasing role in the planning and operational aspects of lignite mining. Laboratory core sample test results can be used for slope stability modeling, in order to obtain more accurate design and operational information.« less

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors

PubMed Central

Thorwart, Michael

2018-01-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing. PMID:29756034

Toward tailoring Majorana bound states in artificially constructed magnetic atom chains on elemental superconductors.

PubMed

Kim, Howon; Palacio-Morales, Alexandra; Posske, Thore; Rózsa, Levente; Palotás, Krisztián; Szunyogh, László; Thorwart, Michael; Wiesendanger, Roland

2018-05-01

Realizing Majorana bound states (MBS) in condensed matter systems is a key challenge on the way toward topological quantum computing. As a promising platform, one-dimensional magnetic chains on conventional superconductors were theoretically predicted to host MBS at the chain ends. We demonstrate a novel approach to design of model-type atomic-scale systems for studying MBS using single-atom manipulation techniques. Our artificially constructed atomic Fe chains on a Re surface exhibit spin spiral states and a remarkable enhancement of the local density of states at zero energy being strongly localized at the chain ends. Moreover, the zero-energy modes at the chain ends are shown to emerge and become stabilized with increasing chain length. Tight-binding model calculations based on parameters obtained from ab initio calculations corroborate that the system resides in the topological phase. Our work opens new pathways to design MBS in atomic-scale hybrid structures as a basis for fault-tolerant topological quantum computing.

Ultraflexible and tailorable all-solid-state supercapacitors using polyacrylamide-based hydrogel electrolyte with high ionic conductivity.

PubMed

Li, Huili; Lv, Tian; Li, Ning; Yao, Yao; Liu, Kai; Chen, Tao

2017-11-30

Hydrogels with high ionic conductivity consisting of a cross-linked polymer network swollen in water are very promising to be used as an electrolyte for all-solid-state supercapacitors. However, there are rather few flexible supercapacitors using ionic conducting hydrogel electrolytes reported to date. In this work, highly flexible and ionic conducting polyacrylamide hydrogels were synthesized through a simple approach. On using the ionic hydrogels as the electrolyte, the resulting supercapacitors not only exhibited a high specific capacitance but also showed a long self-discharge time (over 10 hours to the half of original open-circuit voltage) and a low leakage current. These newly-developed all-solid-state supercapacitors can be bent, knot, and kneaded for 5000 cycles without performance decay, suggesting excellent flexibility and mechanical stability. These all-solid-state supercapacitors can also be easily tailored into strip-like supercapacitors without a short circuit, which provides an efficient approach to fabricate wearable energy storage devices.

Revealing the hidden structural phases of FeRh

NASA Astrophysics Data System (ADS)

Kim, Jinwoong; Ramesh, R.; Kioussis, Nicholas

2016-11-01

Ab initio electronic structure calculations reveal that tetragonal distortion has a dramatic effect on the relative stability of the various magnetic structures (C-, A-, G-, A'-AFM, and FM) of FeRh giving rise to a wide range of novel stable/metastable structures and magnetic phase transitions between these states. We predict that the cubic G-AFM structure, which was believed thus far to be the ground state, is metastable and that the tetragonally expanded G-AFM is the stable structure. The low energy barrier separating these states suggests phase coexistence at room temperature. We propose an A'-AFM phase to be the global ground state among all magnetic phases which arises from the strain-induced tuning of the exchange interactions. The results elucidate the underlying mechanism for the recent experimental findings of electric-field control of magnetic phase transition driven via tetragonal strain. The magnetic phase transitions open interesting prospects for exploiting strain engineering for the next-generation memory devices.

The effect of excipients on the stability of levothyroxine sodium pentahydrate tablets.

PubMed

Patel, Himanshu; Stalcup, Apryll; Dansereau, Richard; Sakr, Adel

2003-10-02

Levothyroxine tablets, 50 microg, have been marketed for many decades but have had numerous recalls due to degradation and failure to meet potency. These experiments were devised to study the effects of various excipients on the stability of levothyroxine sodium pentahydrate in aqueous slurries and in formulated tablets. The active alone was found to be stable in the solid state for 6 months at 40 degrees C/75% RH whether stored in open or closed containers, and was found to be non-hygroscopic under normal processing conditions (>30% RH). In aqueous slurries with an excipient, the stability of the active improved as the pH of the slurry was increased from pH 3 to 11. Tablets manufactured with lactose anhydrous, starch, or microcrystalline cellulose failed to meet USP assay requirements at 3 months at 40 degrees C/75% RH. Tablets manufactured with dibasic calcium phosphate or mannitol met USP assay requirements at 3, but not 6 months when stored at 40 degrees C/75% RH. Tablets manufactured with dibasic calcium phosphate and a basic pH modifier, such as sodium carbonate, sodium bicarbonate, or magnesium oxide, met the USP assay requirements at both 3 and 6 months. Thus, the use of basic pH modifiers is a potential technique for improving the stability of levothyroxine sodium pentahydrate tablets.

46 CFR 178.440 - Drainage of open boats.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Drainage of open boats. 178.440 Section 178.440 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) INTACT STABILITY AND SEAWORTHINESS Drainage of Weather Decks § 178.440 Drainage of open boats. The deck...

46 CFR 178.440 - Drainage of open boats.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Drainage of open boats. 178.440 Section 178.440 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) INTACT STABILITY AND SEAWORTHINESS Drainage of Weather Decks § 178.440 Drainage of open boats. The deck...

46 CFR 178.440 - Drainage of open boats.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Drainage of open boats. 178.440 Section 178.440 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) INTACT STABILITY AND SEAWORTHINESS Drainage of Weather Decks § 178.440 Drainage of open boats. The deck...

46 CFR 178.440 - Drainage of open boats.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Drainage of open boats. 178.440 Section 178.440 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) INTACT STABILITY AND SEAWORTHINESS Drainage of Weather Decks § 178.440 Drainage of open boats. The deck...

46 CFR 178.440 - Drainage of open boats.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Drainage of open boats. 178.440 Section 178.440 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SMALL PASSENGER VESSELS (UNDER 100 GROSS TONS) INTACT STABILITY AND SEAWORTHINESS Drainage of Weather Decks § 178.440 Drainage of open boats. The deck...

Open-mouthed hybrid microcapsules with elevated enzyme loading and enhanced catalytic activity.

PubMed

Shi, Jiafu; Zhang, Shaohua; Wang, Xiaoli; Jiang, Zhongyi

2014-10-25

Open-mouthed hybrid microcapsules (HMCs) are synthesized through a hard-templating method. When utilized for enzyme immobilization and enzymatic catalysis, the open-mouthed HMCs show high enzyme loading capability, enhanced catalytic activity and desirable recycling stability, due to their fully exposed outer and inner surfaces.

Construction and application of Red5 cluster based on OpenStack

NASA Astrophysics Data System (ADS)

Wang, Jiaqing; Song, Jianxin

2017-08-01

With the application and development of cloud computing technology in various fields, the resource utilization rate of the data center has been improved obviously, and the system based on cloud computing platform has also improved the expansibility and stability. In the traditional way, Red5 cluster resource utilization is low and the system stability is poor. This paper uses cloud computing to efficiently calculate the resource allocation ability, and builds a Red5 server cluster based on OpenStack. Multimedia applications can be published to the Red5 cloud server cluster. The system achieves the flexible construction of computing resources, but also greatly improves the stability of the cluster and service efficiency.

A quasioptically stabilized resonant-tunneling-diode oscillator for the millimeter- and submillimeter-wave regions

NASA Technical Reports Server (NTRS)

Brown, Elliott R.; Parker, Christopher D.; Molvar, Karen M.; Stephan, Karl D.

1992-01-01

A semiconfocal open-cavity resonator has been used to stabilize a resonant-tunneling-diode waveguide oscillator at frequencies near 100 GHz. The high quality factor of the open cavity resulted in a linewidth of approximately 10 kHz at 10 dB below the peak, which is about 100 times narrower than the linewidth of an unstabilized waveguide oscillator. This technique is well suited for resonant-tunneling-diode oscillators in the submillimeter-wave region.

XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction

DOE PAGES

Thomaston, Jessica L.; Woldeyes, Rahel A.; Nakane, Takanori; ...

2017-08-23

The M2 proton channel of influenza A is a drug target that is essential for the reproduction of the flu virus. It is also a model system for the study of selective, unidirectional proton transport across a membrane. Ordered water molecules arranged in “wires” inside the channel pore have been proposed to play a role in both the conduction of protons to the four gating His37 residues and the stabilization of multiple positive charges within the channel. To visualize the solvent in the pore of the channel at room temperature while minimizing the effects of radiation damage, data were collectedmore » to a resolution of 1.4 Å using an X-ray free-electron laser (XFEL) at three different pH conditions: pH 5.5, pH 6.5, and pH 8.0. Data were collected on the Inward open state, which is an intermediate that accumulates at high protonation of the His37 tetrad. At pH 5.5, a continuous hydrogen-bonded network of water molecules spans the vertical length of the channel, consistent with a Grotthuss mechanism model for proton transport to the His37 tetrad. This ordered solvent at pH 5.5 could act to stabilize the positive charges that build up on the gating His37 tetrad during the proton conduction cycle. The number of ordered pore waters decreases at pH 6.5 and 8.0, where the Inward open state is less stable. Furthermore, these studies provide a graphical view of the response of water to a change in charge within a restricted channel environment.« less

XFEL structures of the influenza M2 proton channel: Room temperature water networks and insights into proton conduction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomaston, Jessica L.; Woldeyes, Rahel A.; Nakane, Takanori

The M2 proton channel of influenza A is a drug target that is essential for the reproduction of the flu virus. It is also a model system for the study of selective, unidirectional proton transport across a membrane. Ordered water molecules arranged in “wires” inside the channel pore have been proposed to play a role in both the conduction of protons to the four gating His37 residues and the stabilization of multiple positive charges within the channel. To visualize the solvent in the pore of the channel at room temperature while minimizing the effects of radiation damage, data were collectedmore » to a resolution of 1.4 Å using an X-ray free-electron laser (XFEL) at three different pH conditions: pH 5.5, pH 6.5, and pH 8.0. Data were collected on the Inward open state, which is an intermediate that accumulates at high protonation of the His37 tetrad. At pH 5.5, a continuous hydrogen-bonded network of water molecules spans the vertical length of the channel, consistent with a Grotthuss mechanism model for proton transport to the His37 tetrad. This ordered solvent at pH 5.5 could act to stabilize the positive charges that build up on the gating His37 tetrad during the proton conduction cycle. The number of ordered pore waters decreases at pH 6.5 and 8.0, where the Inward open state is less stable. Furthermore, these studies provide a graphical view of the response of water to a change in charge within a restricted channel environment.« less

SiGN-SSM: open source parallel software for estimating gene networks with state space models.

PubMed

Tamada, Yoshinori; Yamaguchi, Rui; Imoto, Seiya; Hirose, Osamu; Yoshida, Ryo; Nagasaki, Masao; Miyano, Satoru

2011-04-15

SiGN-SSM is an open-source gene network estimation software able to run in parallel on PCs and massively parallel supercomputers. The software estimates a state space model (SSM), that is a statistical dynamic model suitable for analyzing short time and/or replicated time series gene expression profiles. SiGN-SSM implements a novel parameter constraint effective to stabilize the estimated models. Also, by using a supercomputer, it is able to determine the gene network structure by a statistical permutation test in a practical time. SiGN-SSM is applicable not only to analyzing temporal regulatory dependencies between genes, but also to extracting the differentially regulated genes from time series expression profiles. SiGN-SSM is distributed under GNU Affero General Public Licence (GNU AGPL) version 3 and can be downloaded at http://sign.hgc.jp/signssm/. The pre-compiled binaries for some architectures are available in addition to the source code. The pre-installed binaries are also available on the Human Genome Center supercomputer system. The online manual and the supplementary information of SiGN-SSM is available on our web site. tamada@ims.u-tokyo.ac.jp.

Effect of storage conditions on the recrystallization of drugs in solid dispersions with crospovidone.

PubMed

Shibata, Yusuke; Fujii, Makiko; Suzuki, Ayako; Koizumi, Naoya; Kanada, Ken; Yamada, Masaki; Watanabe, Yoshiteru

2014-06-01

The physical stability of amorphous solid dispersions (SDs) is influenced by their storage conditions. The goal of this work was to investigate the factors affecting the recrystallization of drugs in SDs after storage under conditions of high temperature and high humidity. SDs of three drugs (dipyridamole, nifedipine and indomethacin) with different functional groups (amino, carbonyl and hydroxyl) and onset times for crystallization of the amorphous state were prepared using crospovidone (CrosPVP). All of the drugs in the SDs remained in an amorphous state at 25 °C/50% relative humidity (RH) in closed glass bottles for at least six months. Under conditions of high temperature (40 °C/75%RH/closed and 60 °C/open), differences in interactions between the hydrogen bond donors of the drugs and the amide carbonyl group of CrosPVP are essential factors for recrystallization of the drugs in the SDs. On the other hand, under condition of high humidity (40 °C/75%RH/open), in addition to the difference in the interaction between the drug and CrosPVP, the rate of increase in moisture content affects their recrystallization in SDs.

Open Screw Placement in a 1.5 mm LCP Over a Fracture Gap Decreases Fatigue Life

PubMed Central

Alwen, Sarah G. J.; Kapatkin, Amy S.; Garcia, Tanya C.; Milgram, Joshua; Stover, Susan M.

2018-01-01

Objective To investigate the influence of plate and screw hole position on the stability of simulated radial fractures stabilized with a 1.5 mm condylar locking compression plate (LCP). Study Design In vitro mechanical testing of paired cadaveric limbs. Sample Population Paired radii (n = 7) stabilized with a 1.5 mm condylar LCP with an open screw hole positioned either proximal to (PG), or over (OG), a simulated small fracture gap. Methods Constructs were cycled in axial compression at a simulated trot load until failure or a maximum of 200,000 cycles. Specimens that sustained 200,000 cycles without failure were then loaded in axial compression in a single cycle to failure. Construct cyclic axial stiffness and gap strain, fatigue life, and residual strength were evaluated and compared between constructs using analysis of variance. Results Of pairs that had a failure during cyclic loading, OG constructs survived fewer cycles (54,700 ± 60,600) than PG (116,800 ± 49,300). OG constructs had significantly lower initial stiffness throughout cyclic loading and higher gap strain range within the first 1,000 cycles than PG constructs. Residual strength variables were not significantly different between constructs, however yield loads occurred at loads only marginally higher than approximated trot loads. Fatigue life decreased with increasing body weight. Conclusion Fracture fixation stability is compromised by an open screw hole directly over a fracture gap compared to the open screw hole being buttressed by bone in the model studied. The 1.5 mm condylar LCP may be insufficient stabilization in dogs with appropriate radial geometry but high body weights. PMID:29876361

FOREWORD: International Summer School for Advanced Studies 'Dynamics of open nuclear systems' (PREDEAL12)

NASA Astrophysics Data System (ADS)

Delion, D. S.; Zamfir, N. V.; Raduta, A. R.; Gulminelli, F.

2013-02-01

This proceedings volume contains the invited lectures and contributions presented at the International Summer School on Nuclear Physics held at Trei Brazi, a summer resort of the Bioterra University, near the city of Predeal, Romania, on 9-20 July 2012. The long tradition of International Summer Schools on Nuclear Physics in Romania dates as far back as 1964, with the event being scheduled every two years. During this period of almost 50 years, many outstanding nuclear scientists have lectured on various topics related to nuclear physics and particle physics. This year we celebrate the 80th birthday of Aureliu Sandulescu, one of the founders of the Romanian school of theoretical nuclear physics. He was Serban Titeica's PhD student, one of Werner Heisenberg's PhD students, and he organized the first edition of this event. Aureliu Sandulescu's major contributions to the field of theoretical nuclear physics are related in particular to the prediction of cluster radioactivity, the physics of open quantum systems and the innovative technique of detecting superheavy nuclei using the double magic projectile 48Ca (Calcium), nowadays a widely used method at the JINR—Dubna and GSI—Darmstadt laboratories. The title of the event, 'Dynamics of Open Nuclear Systems', is in recognition of Aureliu Sandulescu's great personality. The lectures were attended by Romanian and foreign Master and PhD students and young researchers in nuclear physics. About 25 reputable professors and researchers in nuclear physics delivered lectures during this period. According to a well-established tradition, an interval of two hours was allotted for each lecture (including discussions). Therefore we kept a balance between the school and conference format. Two lectures were held during the morning and afternoon sessions. After lecture sessions, three or four oral contributions were given by young scientists. This was a good opportunity for them to present the results of their research in front of renowned professors and researchers in nuclear physics. This proceedings volume is organized into four chapters, which reflects the traditional chapter structure of nuclear physics textbooks, but seen from the perspective of open quantum systems: INuclear structure IIDecay processes IIINuclear reactions and astrophysics IVContributions The lectures and contributions are listed alphabetically by author within each chapter. The volume contains many comprehensive reviews related to the topics of the School. The first week of the School was focused on nuclear structure and decay phenomena, considering the nucleus as an open system. Experts in these fields lectured on cluster radioactivity, the stability of superheavy nuclei, alpha-decay fine structure, fission versus fusion, beta and double beta decay and pairing versus alpha-clustering. New experimental results related to the nuclear stability of low-lying and high spin states were also presented. Recent developments at JINR—Dubna and GSI—Darmstadt international laboratories were also reported by their current or former directors. The second week of the event was dedicated to the physics of exotic nuclei, heavy ion reactions and multi-fragmentation, symmetries and phase transitions of open quantum systems. The stability of the atomic nucleus is an important and always interesting discussion point, especially in the context of newly discovered nuclear systems close to the stability line, such as proton/neutron rich or superheavy nuclei. Several lectures and contributions were focused on nuclear structure models describing low-lying states. This includes the status of density functional theory, new developments in Bohr-Mottelsohn Hamiltonian and shell-model theory, proton-neutron correlations, shape coexistence, back-bending phenomena and the thermodynamics of open quantum systems. Open systems in astrophysics, such as supernovae and neutron stars, were presented in detail by several lecturers. Important topics connected to the status of the equation of state, hyperonic and quark matter and neutrino physics, as well as the applications of nuclear structure in astrophysics, were also on the School's agenda. There were many discussions and questions both during and after presentations. An open and friendly atmosphere characterized our School, although different opinions quite often divided the participants. Many discussions continued during coffee breaks and excursions organized in the beautiful surroundings. We hope that this proceedings volume will be useful for future reference to both young scientists and senior researchers working in various fields of nuclear physics. We cannot end without expressing our many thanks to the National Authority for Scientific Research and the Romanian Academy (Elias Foundation) for their financial support. We acknowledge the Horia Hulubei National Institute of Physics and Nuclear Engineering and Bioterra University for their important contribution in organizing the School. Guest Editors D S Delion, N V Zamfir, A R Raduta and F Gulminelli First Week International Summer School on Nuclear Physics: First Week Second Week International Summer School on Nuclear Physics: Second Week Sponsors Sponsor logoSponsor logoSponsor logoSponsor logoSponsor logo

Replacement of Ser108 in Plasmodium falciparum enolase results in weak Mg(II) binding: role of a parasite-specific pentapeptide insert in stabilizing the active conformation of the enzyme.

PubMed

Dutta, Sneha; Mukherjee, Debanjan; Jarori, Gotam K

2015-06-01

A distinct structural feature of Plasmodium falciparum enolase (Pfeno) is the presence of a five amino acid insert -104EWGWS108- that is not found in host enolases. Its conservation among apicomplexan enolases has raised the possibility of its involvement in some important physiological function(s). Deletion of this sequence is known to lower k(cat)/K(m), increase K(a) for Mg(II) and convert dimer into monomers (Vora HK, Shaik FR, Pal-Bhowmick I, Mout R & Jarori GK (2009) Arch Biochem Biophys 485, 128-138). These authors also raised the possibility of the formation of an H-bond between Ser108 and Leu49 that could stabilize the apo-Pfeno in an active closed conformation that has high affinity for Mg(II). Here, we examined the effect of replacement of Ser108 with Gly/Ala/Thr on enzyme activity, Mg(II) binding affinity, conformational states and oligomeric structure and compared it with native recombinant Pfeno. The results obtained support the view that Ser108 is likely to be involved in the formation of certain crucial H-bonds with Leu49. The presence of these interactions can stabilize apo-Pfeno in an active closed conformation similar to that of Mg(II) bound yeast enolase. As predicted, S108G/A-Pfeno variants (where Ser108-Leu49 H-bonds are likely to be disrupted) were found to exist in an open conformation and had low affinity for Mg(II). They also required Mg(II) induced conformational changes to acquire the active closed conformational state essential for catalysis. The possible physiological relevance of apo-Pfeno being in such an active state is discussed. © 2015 FEBS.

Insight into the phosphodiesterase mechanism from combined QM/MM free energy simulations.

PubMed

Wong, Kin-Yiu; Gao, Jiali

2011-07-01

Molecular dynamics simulations employing a combined quantum mechanical and molecular mechanical potential have been carried out to elucidate the reaction mechanism of the hydrolysis of a cyclic nucleotide cAMP substrate by phosphodiesterase 4B (PDE4B). PDE4B is a member of the PDE superfamily of enzymes that play crucial roles in cellular signal transduction. We have determined a two-dimensional potential of mean force (PMF) for the coupled phosphoryl bond cleavage and proton transfer through a general acid catalysis mechanism in PDE4B. The results indicate that the ring-opening process takes place through an S(N)2 reaction mechanism, followed by a proton transfer to stabilize the leaving group. The computed free energy of activation for the PDE4B-catalyzed cAMP hydrolysis is about 13 kcal·mol(-1) and an overall reaction free energy is about -17 kcal·mol(-1), both in accord with experimental results. In comparison with the uncatalyzed reaction in water, the enzyme PDE4B provides a strong stabilization of the transition state, lowering the free energy barrier by 14 kcal·mol(-1). We found that the proton transfer from the general acid residue His234 to the O3' oxyanion of the ribosyl leaving group lags behind the nucleophilic attack, resulting in a shallow minimum on the free energy surface. A key contributing factor to transition state stabilization is the elongation of the distance between the divalent metal ions Zn(2+) and Mg(2+) in the active site as the reaction proceeds from the Michaelis complex to the transition state. © 2011 The Authors Journal compilation © 2011 FEBS.

Graphene Oxide Sponge as Nanofillers in Printable Electrolytes in High-Performance Quasi-Solid-State Dye-Sensitized Solar Cells.

PubMed

Venkatesan, Shanmuganathan; Surya Darlim, Elmer; Tsai, Ming-Hsiang; Teng, Hsisheng; Lee, Yuh-Lang

2018-04-04

A graphene oxide sponge (GOS) is utilized for the first time as a nanofiller (NF) in printable electrolytes (PEs) based on poly(ethylene oxide) and poly(vinylidene fluoride) for quasi-solid-state dye-sensitized solar cells (QS-DSSCs). The effects of the various concentrations of GOS NFs on the ion diffusivity and conductivity of electrolytes and the performance of the QS-DSSCs are studied. The results show that the presence of GOS NFs significantly increases the diffusivity and conductivity of the PEs. The introduction of 1.5 wt % of GOS NFs decreases the charge-transfer resistance at the Pt-counter electrode/electrolyte interface ( R pt ) and increases the recombination resistance at the photoelectrode/electrolyte interface ( R ct ). QS-DSSC utilizing 1.5 wt % GOS NFs can achieve an energy conversion efficiency (8.78%) higher than that found for their liquid counterpart and other reported polymer gel electrolytes/GO NFs based DSSCs. The high energy conversion efficiency is a consequence of the increase in both the open-circuit potential ( V oc ) and fill factor with a slight decrease in current density ( J sc ). The cell efficiency can retain 86% of its initial value after a 500 h stability test at 60 °C under dark conditions. The long-term stability of the QS-DSSC with GOS NFs is higher than that without NFs. This result indicates that the GOS NFs do not cause dye-desorption from the photoanode in a long-term stability test, which infers a superior performance of GOS NFs as compared to TiO 2 NFs in terms of increasing the efficiency and long-term stability of QS-DSSCs.

Migration of planets into and out of mean motion resonances in protoplanetary discs: analytical theory of second-order resonances

NASA Astrophysics Data System (ADS)

Xu, Wenrui; Lai, Dong

2017-07-01

Recent observations of Kepler multiplanet systems have revealed a number of systems with planets very close to second-order mean motion resonances (MMRs, with period ratio 1 : 3, 3 : 5, etc.). We present an analytic study of resonance capture and its stability for planets migrating in gaseous discs. Resonance capture requires slow convergent migration of the planets, with sufficiently large eccentricity damping time-scale Te and small pre-resonance eccentricities. We quantify these requirements and find that they can be satisfied for super-Earths under protoplanetary disc conditions. For planets captured into resonance, an equilibrium state can be reached, in which eccentricity excitation due to resonant planet-planet interaction balances eccentricity damping due to planet-disc interaction. This 'captured' equilibrium can be overstable, leading to partial or permanent escape of the planets from the resonance. In general, the stability of the captured state depends on the inner to outer planet mass ratio q = m1/m2 and the ratio of the eccentricity damping times. The overstability growth time is of the order of Te, but can be much larger for systems close to the stability threshold. For low-mass planets undergoing type I (non-gap opening) migration, convergent migration requires q ≲ 1, while the stability of the capture requires q ≳ 1. These results suggest that planet pairs stably captured into second-order MMRs have comparable masses. This is in contrast to first-order MMRs, where a larger parameter space exists for stable resonance capture. We confirm and extend our analytical results with N-body simulations, and show that for overstable capture, the escape time from the MMR can be comparable to the time the planets spend migrating between resonances.

The Fulde–Ferrell–Larkin–Ovchinnikov state for ultracold fermions in lattice and harmonic potentials: a review

NASA Astrophysics Data System (ADS)

Kinnunen, Jami J.; Baarsma, Jildou E.; Martikainen, Jani-Petri; Törmä, Päivi

2018-04-01

We review the concepts and the present state of theoretical studies of spin-imbalanced superfluidity, in particular the elusive Fulde–Ferrell–Larkin–Ovchinnikov (FFLO) state, in the context of ultracold quantum gases. The comprehensive presentation of the theoretical basis for the FFLO state that we provide is useful also for research on the interplay between magnetism and superconductivity in other physical systems. We focus on settings that have been predicted to be favourable for the FFLO state, such as optical lattices in various dimensions and spin–orbit coupled systems. These are also the most likely systems for near-future experimental observation of the FFLO state. Theoretical bounds, such as Bloch’s and Luttinger’s theorems, and experimentally important limitations, such as finite-size effects and trapping potentials, are considered. In addition, we provide a comprehensive review of the various ideas presented for the observation of the FFLO state. We conclude our review with an analysis of the open questions related to the FFLO state, such as its stability, superfluid density, collective modes and extending the FFLO superfluid concept to new types of lattice systems.

Controlling the metal-to-insulator relaxation of the metastable hidden quantum state in 1T-TaS2

PubMed Central

Vaskivskyi, Igor; Gospodaric, Jan; Brazovskii, Serguei; Svetin, Damjan; Sutar, Petra; Goreshnik, Evgeny; Mihailovic, Ian A.; Mertelj, Tomaz; Mihailovic, Dragan

2015-01-01

Controllable switching between metastable macroscopic quantum states under nonequilibrium conditions induced either by light or with an external electric field is rapidly becoming of great fundamental interest. We investigate the relaxation properties of a “hidden” (H) charge density wave (CDW) state in thin single crystals of the layered dichalcogenide 1T-TaS2, which can be reached by either a single 35-fs optical laser pulse or an ~30-ps electrical pulse. From measurements of the temperature dependence of the resistivity under different excitation conditions, we find that the metallic H state relaxes to the insulating Mott ground state through a sequence of intermediate metastable states via discrete jumps over a “Devil’s staircase.” In between the discrete steps, an underlying glassy relaxation process is observed, which arises because of reciprocal-space commensurability frustration between the CDW and the underlying lattice. We show that the metastable state relaxation rate may be externally stabilized by substrate strain, thus opening the way to the design of nonvolatile ultrafast high-temperature memory devices based on switching between CDW states with large intrinsic differences in electrical resistance. PMID:26601218

Controlling the metal-to-insulator relaxation of the metastable hidden quantum state in 1T-TaS2.

PubMed

Vaskivskyi, Igor; Gospodaric, Jan; Brazovskii, Serguei; Svetin, Damjan; Sutar, Petra; Goreshnik, Evgeny; Mihailovic, Ian A; Mertelj, Tomaz; Mihailovic, Dragan

2015-07-01

Controllable switching between metastable macroscopic quantum states under nonequilibrium conditions induced either by light or with an external electric field is rapidly becoming of great fundamental interest. We investigate the relaxation properties of a "hidden" (H) charge density wave (CDW) state in thin single crystals of the layered dichalcogenide 1T-TaS2, which can be reached by either a single 35-fs optical laser pulse or an ~30-ps electrical pulse. From measurements of the temperature dependence of the resistivity under different excitation conditions, we find that the metallic H state relaxes to the insulating Mott ground state through a sequence of intermediate metastable states via discrete jumps over a "Devil's staircase." In between the discrete steps, an underlying glassy relaxation process is observed, which arises because of reciprocal-space commensurability frustration between the CDW and the underlying lattice. We show that the metastable state relaxation rate may be externally stabilized by substrate strain, thus opening the way to the design of nonvolatile ultrafast high-temperature memory devices based on switching between CDW states with large intrinsic differences in electrical resistance.

Nanocellulose-stabilized Pickering emulsions and their applications

PubMed Central

Fujisawa, Shuji; Togawa, Eiji; Kuroda, Katsushi

2017-01-01

Abstract Pickering emulsion, which is an emulsion stabilized by solid particles, offers a wide range of potential applications because it generally provides a more stable system than surfactant-stabilized emulsion. Among various solid stabilizers, nanocellulose may open up new opportunities for future Pickering emulsions owing to its unique nanosizes, amphiphilicity, and other favorable properties (e.g. chemical stability, biodegradability, biocompatibility, and renewability). In this review, the preparation and properties of nanocellulose-stabilized Pickering emulsions are summarized. We also provide future perspectives on their applications, such as drug delivery, food, and composite materials. PMID:29383046

Nanocellulose-stabilized Pickering emulsions and their applications

NASA Astrophysics Data System (ADS)

Fujisawa, Shuji; Togawa, Eiji; Kuroda, Katsushi

2017-12-01

Pickering emulsion, which is an emulsion stabilized by solid particles, offers a wide range of potential applications because it generally provides a more stable system than surfactant-stabilized emulsion. Among various solid stabilizers, nanocellulose may open up new opportunities for future Pickering emulsions owing to its unique nanosizes, amphiphilicity, and other favorable properties (e.g. chemical stability, biodegradability, biocompatibility, and renewability). In this review, the preparation and properties of nanocellulose-stabilized Pickering emulsions are summarized. We also provide future perspectives on their applications, such as drug delivery, food, and composite materials.

The effect of boundary shape and minima selection on single limb stance postural stability.

PubMed

Cobb, Stephen C; Joshi, Mukta N; Bazett-Jones, David M; Earl-Boehm, Jennifer E

2012-11-01

The effect of time-to-boundary minima selection and stability limit definition was investigated during eyes open and eyes closed condition single-limb stance postural stability. Anteroposterior and mediolateral time-to-boundary were computed using the mean and standard deviation (SD) of all time-to-boundary minima during a trial, and the mean and SD of only the 10 absolute time-to-boundary minima. Time-to-boundary with rectangular, trapezoidal, and multisegmented polygon defined stability limits were also calculated. Spearman's rank correlation coefficient test results revealed significant medium-large correlations between anteroposterior and mediolateral time-to-boundary scores calculated using both the mean and SD of the 10 absolute time-to-boundary minima and of all the time-to-boundary minima. Friedman test results revealed significant mediolateral time-to-boundary differences between boundary shape definitions. Follow-up Wilcoxon signed rank test results revealed significant differences between the rectangular boundary shape and both the trapezoidal and multisegmented polygon shapes during the eyes open and eyes closed conditions when both the mean and the SD of the time-to-boundary minima were used to represent postural stability. Significant differences were also revealed between the trapezoidal and multisegmented polygon definitions during the eyes open condition when the SD of the time-to-boundary minima was used to represent postural stability. Based on these findings, the overall results (i.e., stable versus unstable participants or groups) of studies computing postural stability using different minima selection can be compared. With respect to boundary shape, the trapezoid or multisegmented polygon shapes may be more appropriate than the rectangular shape as they more closely represent the anatomical shape of the stance foot.

46 CFR 171.155 - Drainage of an open boat.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 7 2010-10-01 2010-10-01 false Drainage of an open boat. 171.155 Section 171.155 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO VESSELS CARRYING PASSENGERS Drainage of Weather Decks § 171.155 Drainage of an open boat. The...

46 CFR 171.155 - Drainage of an open boat.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 7 2014-10-01 2014-10-01 false Drainage of an open boat. 171.155 Section 171.155 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO VESSELS CARRYING PASSENGERS Drainage of Weather Decks § 171.155 Drainage of an open boat. The...

46 CFR 171.155 - Drainage of an open boat.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 7 2012-10-01 2012-10-01 false Drainage of an open boat. 171.155 Section 171.155 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO VESSELS CARRYING PASSENGERS Drainage of Weather Decks § 171.155 Drainage of an open boat. The...

46 CFR 171.155 - Drainage of an open boat.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 7 2011-10-01 2011-10-01 false Drainage of an open boat. 171.155 Section 171.155 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO VESSELS CARRYING PASSENGERS Drainage of Weather Decks § 171.155 Drainage of an open boat. The...

46 CFR 171.155 - Drainage of an open boat.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 7 2013-10-01 2013-10-01 false Drainage of an open boat. 171.155 Section 171.155 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) SUBDIVISION AND STABILITY SPECIAL RULES PERTAINING TO VESSELS CARRYING PASSENGERS Drainage of Weather Decks § 171.155 Drainage of an open boat. The...

Origins of Shear Jamming for Frictional Grains

NASA Astrophysics Data System (ADS)

Wang, Dong; Zheng, Hu; Ren, Jie; Dijksman, Joshua; Bares, Jonathan; Behringer, Robert

2016-11-01

Granular systems have been shown to be able to behave like solids, under shear, even when their densities are below the critical packing fraction for frictionless isotropic jamming. To understand such a phenomena, called shear jamming, the question we address here is: how does shear bring a system from a unjammed state to a jammed state, where the coordination number, Z, is no less than 3, the isotropic jamming point for frictional grains? Since Z can be used to distinguish jammed states from unjammed ones, it is vital to understand how shear increases Z. We here propose a set of three particles in contact, denoted as a trimer, as the basic unit to characterize the deformation of the system. Trimers, stabilized by inter-grain friction, fail under a certain amount of shear and bend to make extra contacts to regain stability. By defining a projection operator of the opening angle of the trimer to the compression direction in the shear, O, we see a systematically linear decrease of this quantity with respect to shear strain, demonstrating the bending of trimers as expected. In addition, the average change of O from one shear step to the next shows a good collapse when plotted against Z, indicating a universal behavior in the process of shear jamming. We acknowledge support from NSF DMR1206351, NASA NNX15AD38G, the William M. Keck Foundation and a RT-MRSEC Fellowship.

Effect of Stability on Mixing in Open Canopies. Chapter 4

NASA Technical Reports Server (NTRS)

Lee, Young-Hee; Mahrt, L.

2005-01-01

In open canopies, the within-canopy flux from the ground surface and understory can account for a significant fraction of the total flux above the canopy. This study incorporates the important influence of within-canopy stability on turbulent mixing and subcanopy fluxes into a first-order closure scheme. Toward this goal, we analyze within-canopy eddy-correlation data from the old aspen site in the Boreal Ecosystem - Atmosphere Study (BOREAS) and a mature ponderosa pine site in Central Oregon, USA. A formulation of within-canopy transport is framed in terms of a stability- dependent mixing length, which approaches Monin-Obukhov similarity theory above the canopy roughness sublayer. The new simple formulation is an improvement upon the usual neglect of the influence of within-canopy stability in simple models. However, frequent well-defined cold air drainage within the pine subcanopy inversion reduces the utility of simple models for nocturnal transport. Other shortcomings of the formulation are discussed.

Self-adaptive thermal management - the fundamentals and applications in Li-polymer batteries

NASA Astrophysics Data System (ADS)

Geng, Xiaobao

The thermal management systems for electronic devices and their power sources are facing increasing challenge to accommodate the ever-changing environmental and operational conditions. The conventional thermal management systems, with a predominant focus on cooling, are often not sufficient in those cases. In addition, to support miniaturization, complex systems and broader applications (e.g., space and military), the thermal management system often needs to be compatible with smaller device and their fabrication processes, dissipate heat efficiently for localized heat spot, and meet the requirement of light weight and low power consumption. In order to address such issues, a self-adaptive thermal switch array (TSA) is proposed based on microelectromechanical systems (MEMS) technology which has the capability automatically change its thermal conductance according to the environmental and operational conditions. This TSA was actuated by low melting alloy (LMA) with neither control unit nor parasitic energy consumption. The idea has been first demonstrated by a prototype device with the stabilization temperatures under various power inputs investigated both experimentally and theoretically. When the power input was changed from 3.8W to 5.8W, the stabilization temperature of the device was increased only by 2.5°C due to the stabilization effect of TSA. The experimental data were found in good agreement with their theoretical value. Based on the theoretical model, two types of TSA, namely high-on and low-off, were further developed to increase on-state thermal conductance and decrease off-state thermal conductance, respectively. Compared with the low-off TSA, the high-on TSA can more efficiently cool the devices and stabilize their temperature at a value closer to the melting point of LMA even under higher power inputs. On the other hand, the startup time and energy consumption were significantly reduced with the low-off TSA design due to the enhanced off-state thermal insulation, making them more suitable for cold start applications. A few key design factors have been identified to increase the on-state thermal conductance, reduce the off-state thermal conductance and enhance their ratio (switching ratio). The TSAs were then applied to a Li-polymer battery stack to demonstrate the self-adaptive thermal management capability. When cold-started from -10°C, the TSA-regulated battery stack reached 20°C in ~10min. The operational temperature was sustained with a moderate discharge current until depletion, while maintaining a fairly uniform temperate distribution within the battery stack. Compared with the open-cooling case, the performance of the Li-polymer battery was significantly improved by TSA-regulated thermal management. The capacity and output energy were increased by 16% and 23%, respectively. With the low-off TSA, the cold-start time has been shortened to ~ 7min, while the capacity and output energy of battery stack were increased by 18% and 27%, respectively, as compared to open-cooling case. The promising results have also paved the way for improving the performance of self-adaptive thermal management through the key design parameters.

46 CFR 174.207 - Damaged stability criteria.

Code of Federal Regulations, 2011 CFR

2011-10-01

... sinkage, heel, and trim, must be below the lower edge of an opening through which progressive flooding may... of this subpart; or (v) Side scuttle of the non-opening type. (2) Angle of heel. The angle of heel...

CSER 98-003: Criticality safety evaluation report for PFP glovebox HC-21A with button can opening

DOE Office of Scientific and Technical Information (OSTI.GOV)

ERICKSON, D.G.

1999-02-23

Glovebox HC-21A is an enclosure where cans containing plutonium metal buttons or other plutonium bearing materials are prepared for thermal stabilization in the muffle furnaces. The Inert Atmosphere Confinement (IAC), a new feature added to Glovebox HC-21A, allows the opening of containers suspected of containing hydrided plutonium metal. The argon atmosphere in the IAC prevents an adverse reaction between oxygen and the hydride. The hydride is then stabilized in a controlled manner to prevent glovebox over pressurization. After removal from the containers, the plutonium metal buttons or plutonium bearing materials will be placed into muffle furnace boats and then bemore » sent to one of the muffle furnace gloveboxes for stabilization. The materials allowed to be brought into GloveboxHC-21 A are limited to those with a hydrogen to fissile atom ratio (H/X) {le} 20. Glovebox HC-21A is classified as a DRY glovebox, meaning it has no internal liquid lines, and no free liquids or solutions are allowed to be introduced. The double contingency principle states that designs shall incorporate sufficient factors of safety to require at least two unlikely, independent, and concurrent changes in process conditions before a criticality accident is possible. This criticality safety evaluation report (CSER) shows that the operations to be performed in this glovebox are safe from a criticality standpoint. No single identified event that causes criticality controls to be lost exceeded the criticality safety limit of k{sub eff} = 0.95. Therefore, this CSER meets the requirements for a criticality analysis contained in the Hanford Site Nuclear Criticality Safety Manual, HNF-PRO-334, and meets the double contingency principle.« less

The formation of catalytically competent enzyme-substrate complex is not a bottleneck in lesion excision by human alkyladenine DNA glycosylase.

PubMed

Kuznetsov, N A; Kiryutin, A S; Kuznetsova, A A; Panov, M S; Barsukova, M O; Yurkovskaya, A V; Fedorova, O S

2017-04-01

Human alkyladenine DNA glycosylase (AAG) protects DNA from alkylated and deaminated purine lesions. AAG flips out the damaged nucleotide from the double helix of DNA and catalyzes the hydrolysis of the N-glycosidic bond to release the damaged base. To understand better, how the step of nucleotide eversion influences the overall catalytic process, we performed a pre-steady-state kinetic analysis of AAG interaction with specific DNA-substrates, 13-base pair duplexes containing in the 7th position 1-N6-ethenoadenine (εA), hypoxanthine (Hx), and the stable product analogue tetrahydrofuran (F). The combination of the fluorescence of tryptophan, 2-aminopurine, and 1-N6-ethenoadenine was used to record conformational changes of the enzyme and DNA during the processes of DNA lesion recognition, damaged base eversion, excision of the N-glycosidic bond, and product release. The thermal stability of the duplexes characterized by the temperature of melting, T m , and the rates of spontaneous opening of individual nucleotide base pairs were determined by NMR spectroscopy. The data show that the relative thermal stability of duplexes containing a particular base pair in position 7, (T m (F/T) < T m (εA/T) < T m (Hx/T) < T m (A/T)) correlates with the rate of reversible spontaneous opening of the base pair. However, in contrast to that, the catalytic lesion excision rate is two orders of magnitude higher for Hx-containing substrates than for substrates containing εA, proving that catalytic activity is not correlated with the stability of the damaged base pair. Our study reveals that the formation of the catalytically competent enzyme-substrate complex is not the bottleneck controlling the catalytic activity of AAG.

Bioplasmonic Alloyed Nanoislands Using Dewetting of Bilayer Thin Films.

PubMed

Kang, Minhee; Ahn, Myeong-Su; Lee, Youngseop; Jeong, Ki-Hun

2017-10-25

Unlike monometallic materials, bimetallic plasmonic materials offer extensive benefits such as broadband tuning capability or high environmental stability. Here we report a broad range tuning of plasmon resonance of alloyed nanoislands by using solid-state dewetting of gold and silver bilayer thin films. Thermal dewetting after successive thermal evaporation of thin metal double-layer films readily forms AuAg-alloyed nanoislands with a precise composition ratio. The complete miscibility of alloyed nanoislands results in programmable tuning of plasmon resonance wavelength in a broadband visible range. Such extraordinary tuning capability opens up a new direction for plasmonic enhancement in biophotonic applications such as surface-enhanced Raman scattering or plasmon-enhanced fluorescence.

Nuclear envelope rupture: little holes, big openings.

PubMed

Hatch, Emily M

2018-06-01

The nuclear envelope (NE), which is a critical barrier between the DNA and the cytosol, is capable of extensive dynamic membrane remodeling events in interphase. One of these events, interphase NE rupture and repair, can occur in both normal and disease states and results in the loss of nucleus compartmentalization. NE rupture is not lethal, but new research indicates that it could have broad impacts on genome stability and activate innate immune responses. These observations suggest a new model for how changes in NE structure could be pathogenic in cancer, laminopathies, and autoinflammatory syndromes, and redefine the functions of nucleus compartmentalization. Copyright © 2018 Elsevier Ltd. All rights reserved.

Two Modes of Appearance of the Odden Ice Tongue in the Greenland Sea

NASA Technical Reports Server (NTRS)

Wadhams, Peter; Comiso, Josefino C.

1998-01-01

The Odden Ice tongue of the Greenland Sea normally forms locally In winter as frazfl-pancake ice, allowing high positive salt fluxes during freezing that leads to open ocean convection. We report observations from satellites, aircraft, ships and submarines which show that in two recent years (1987 and 1996) a late-season Odden developed composed of old ice advected by the East Greenland Current. The Impact of such Odden is different in that it is in a state of melt and serves to stabilize the surface water in the region. The history of Oddens since 1978 is reviewed to examine the frequency of both modes.

Toward a theory of organisms: Three founding principles in search of a useful integration

PubMed Central

SOTO, ANA M.; LONGO, GIUSEPPE; MIQUEL, PAUL-ANTOINE; MONTEVIL, MAËL; MOSSIO, MATTEO; PERRET, NICOLE; POCHEVILLE, ARNAUD; SONNENSCHEIN, CARLOS

2016-01-01

Organisms, be they uni- or multi-cellular, are agents capable of creating their own norms; they are continuously harmonizing their ability to create novelty and stability, that is, they combine plasticity with robustness. Here we articulate the three principles for a theory of organisms proposed in this issue, namely: the default state of proliferation with variation and motility, the principle of variation and the principle of organization. These principles profoundly change both biological observables and their determination with respect to the theoretical framework of physical theories. This radical change opens up the possibility of anchoring mathematical modeling in biologically proper principles. PMID:27498204

MHD simulation of relaxation transition to a flipped relaxed state in spherical torus

NASA Astrophysics Data System (ADS)

Kanki, Takashi; Nagata, Masayoshi; Kagei, Yasuhiro

2008-11-01

Recently, it has been demonstrated in the HIST device that in spite of the violation of the Kruskal-Shafranov stability condition, a normal spherical torus (ST) plasma has relaxed to a flipped ST state through a transient reversed-field pinch-like state when the vacuum toroidal field is decreased and its direction is reversed [1]. It has been also observed during this relaxation transition process that not only the toroidal field but also the poloidal field reverses polarity spontaneously and that the ion flow velocity is strongly fluctuated and abruptly increased up to > 50 km/s. The purpose of the present study is to investigate the plasma flows and the relevant MHD relaxation phenomena to elucidate this transition mechanism by using three-dimensional MHD simulations [2]. It is found from the numerical results that the magnetic reconnection between the open and closed field lines occurs due to the non-linear growth of the n=1 kink instability of the central open flux, generating the toroidal flow ˜ 60 km/s in the direction of the toroidal current. The n=1 kink instability and the plasma flows driven by the magnetic reconnection are consider to be responsible for the self-reversal of the magnetic fields. [1] M. Nagata el al., Phys. Rev. Lett. 90, 225001 (2003). [2] Y. Kagei el al., Plasma. Phys. Control. Fusion 45, L17 (2003).

[The general concepts of development and the principle of sustainable development].

PubMed

Romanov, Iu A

1995-01-01

A concept of the sustainable development principle proposed by the United Nations/International Committee on Environment and Development (ICED, 1987) and gained acceptance at the United Nations Conference on Environment and Development (Rio-de-Janeiro, 1992) lies not in the notion of a sustained character of the development but in an understanding of the development as a steadily and long existing and maintained process that is in advocating the stability of the development. It is known, that the state instability of open self-organizing and self-developing systems including the social ones is the the source of the development having a probabilistic, bifurcate and not quite predictable character. Such an understanding of the development should be well represented in the action initiated in the frame work of national and international state ecological policies.

Robustness of hydrological indicators for transient and stabilized climate states

NASA Astrophysics Data System (ADS)

Boulange, J. E.; Hanasaki, N.

2017-12-01

By signing the Paris agreement, countries have committed to pursue efforts to limit global warming to +1.5 °C relative to pre-industrial levels. Consequently, there is a growing interest in better understanding the impacts of a +1.5°C world. Previous analyses were conducted by considering a time slice period, centered on the year when the global mean temperature (GMT) crosses the +1.5°C threshold (Fig. 1). This time slice period is characterized by a transient state which may influence the reported results (transient climate state). Ideally, analyses should be carried under the condition the GMT is stabilized at +1.5°C (stabilized climate state) but, such targeted simulations do not exist for most GCMs.1A global hydrological model, the H08 model,2 and hydrological indicators (HI) obtained for the transient and stabilized states, are used to answer the following questions: (1) are there quantifiable differences between the HI computed for the transient and stabilized states? (2) can relations be derived between the HI computed for the transient and stabilized states? (3) what are the potential impacts induced by the differences in HI computed for the transient and stabilized states? Signal to noise ratios (S/N) obtained for the transient and stabilized states, in an identical warmer world (+1.7°C), are compared (Fig. 2). The S/N ratio computed for the stabilized state were significantly lower than those of the transient state for most regions and HI. However, at higher latitude, the S/N ratios computed for the two states were similar whereas for medium and low latitudes, the differences were more pronounced. For most regions and HI (except for surface temperature), the S/N ratios of the stabilized state were 10 to 20% weaker than those of the transient state. References:1 Knutti, R., Rogelj, J., Sedlacek, J. & Fischer, E. M. Nature Geosci (2016). 2 Hanasaki, N. et al. Hydrol. Earth Syst. Sci. (2008).

Stability of alexithymia and its relationships with the 'big five' factors, temperament, character, and attachment style.

PubMed

Picardi, Angelo; Toni, Alessandro; Caroppo, Emanuele

2005-01-01

Controversy still exists concerning the stability of the alexithymia construct. Also, although alexithymia has been found to be related in a theoretically meaningful way to other personality constructs such as the 'Big Five' factors, few studies have investigated its relationship with influential constructs such as temperament and character, and attachment security. Two hundred twenty-one undergraduate and graduate students were administered the Toronto Alexithymia Scale (TAS-20), the State-Trait Anxiety Inventory (STAI), the Zung Depression Scale (ZDS), the Temperament and Character Inventory (TCI-125), the Big Five Questionnaire (BFQ), and the Experiences in Close Relationships (ECR) questionnaire. After 1 month, 115 participants completed again the TAS-20, STAI, and ZDS. Alexithymia was only moderately correlated with depression and anxiety. Both the absolute and relative stability of TAS-20 total and subscale scores was high, and a negligible portion of their change over time was accounted for by changes in depression or anxiety. In separate multiple regression models including also gender, age, depression and anxiety, TAS-20 total and subscale scores were correlated with low energy/extraversion, low emotional stability, openness, low friendliness/agreeableness; harm avoidance, low self-directedness, low cooperativeness, low reward dependence; attachment-related avoidance and anxiety. Our findings lend support for both absolute and relative stability of alexithymia, corroborate an association between alexithymia and insecure attachment, and contribute to a coherent placing of alexithymia in the broader theoretical network of personality constructs. Copyright (c) 2005 S. Karger AG, Basel.

Advanced robot locomotion.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neely, Jason C.; Sturgis, Beverly Rainwater; Byrne, Raymond Harry

This report contains the results of a research effort on advanced robot locomotion. The majority of this work focuses on walking robots. Walking robot applications include delivery of special payloads to unique locations that require human locomotion to exo-skeleton human assistance applications. A walking robot could step over obstacles and move through narrow openings that a wheeled or tracked vehicle could not overcome. It could pick up and manipulate objects in ways that a standard robot gripper could not. Most importantly, a walking robot would be able to rapidly perform these tasks through an intuitive user interface that mimics naturalmore » human motion. The largest obstacle arises in emulating stability and balance control naturally present in humans but needed for bipedal locomotion in a robot. A tracked robot is bulky and limited, but a wide wheel base assures passive stability. Human bipedal motion is so common that it is taken for granted, but bipedal motion requires active balance and stability control for which the analysis is non-trivial. This report contains an extensive literature study on the state-of-the-art of legged robotics, and it additionally provides the analysis, simulation, and hardware verification of two variants of a proto-type leg design.« less

Personality stability is associated with better cognitive performance in adulthood: are the stable more able?

PubMed

Graham, Eileen K; Lachman, Margie E

2012-09-01

Although personality is relatively stable over time, there are individual differences in the patterns and magnitude of change. There is some evidence that personality change in adulthood is related to physical health and longevity. The present study expanded this work to consider whether personality stability or change would be associated with better cognitive functioning, especially in later adulthood. A total of 4,974 individuals participated in two waves of The Midlife in the United States Study (MIDUS) in 1994-1995 and 2004-2005. Participants completed the MIDUS personality inventory at both times and the Brief Test of Adult Cognition by Telephone cognitive battery at Time 2. Multiple regression and analysis of covariance analyses showed that, consistent with predictions, individuals remaining stable in openness to experience and neuroticism had faster reaction times and better inductive reasoning than those who changed. Among older adults, those who remained stable or decreased in neuroticism had significantly faster reaction times than those who increased. As predicted, personality stability on some traits was associated with more adaptive cognitive performance on reasoning and reaction time. Personality is discussed as a possible resource for protecting against or minimizing age-related declines in cognition.

Flow microcapillary plasma mass spectrometry-based investigation of new Al-Cr-Fe complex metallic alloy passivation.

PubMed

Ott, N; Beni, A; Ulrich, A; Ludwig, C; Schmutz, P

2014-03-01

Al-Cr-Fe complex metallic alloys are new intermetallic phases with low surface energy, low friction, and high corrosion resistance down to very low pH values (0-2). Flow microcapillary plasma mass spectrometry under potentiostatic control was used to characterize the dynamic aspect of passivation of an Al-Cr-Fe gamma phase in acidic electrolytes, allowing a better insight on the parameters inducing chemical stability at the oxyhydroxide-solution interface. In sulfuric acid pH 0, low element dissolution rates (in the µg cm(-2) range after 60 min) evidenced the passive state of the Al-Cr-Fe gamma phase with a preferential over-stoichiometric dissolution of Al and Fe cations. Longer air-aging was found to be beneficial for stabilizing the passive film. In chloride-containing electrolytes, ten times higher Al dissolution rates were detected at open-circuit potential (OCP), indicating that the spontaneously formed passive film becomes unstable. However, electrochemical polarization at low passive potentials induces electrical field generated oxide film modification, increasing chemical stability at the oxyhydroxide-solution interface. In the high potential passive region, localized attack is initiated with subsequent active metal dissolution. © 2013 Published by Elsevier B.V.

Enhancement of methanol resistance of Yarrowia lipolytica lipase 2 using β-cyclodextrin as an additive: Insights from experiments and molecular dynamics simulation.

PubMed

Cao, Hao; Jiang, Yang; Zhang, Haiyang; Nie, Kaili; Lei, Ming; Deng, Li; Wang, Fang; Tan, Tianwei

2017-01-01

The methanol resistance of lipase is a critical parameter in enzymatic biodiesel production. In the present work, the methanol resistance of Yarrowia lipolytica Lipase 2 (YLLIP2) was significantly improved using β-cyclodextrin (β-CD) as an additive. According to the results, YLLIP2 with β-CD exhibited approximately 7000U/mg specific activity in 30wt% methanol for 60min compared with no activity without β-CD under the same conditions. Molecular dynamics (MD) simulation results indicated that the β-CD molecules weakened the conformational change of YLLIP2 and maintained a semi-open state of the lid by overcoming the interference caused by methanol molecules. Furthermore, the β-CD molecule could directly stabilize "pathway" regions (e.g., Asp61-Asp67) and indirectly stabilize "pathway" regions (e.g., Gly44-Phe50) by forming hydrogen bonds with "pathway" regions and nearby "pathway" regions, respectively. The regions stabilized by the β-CD molecule then prevented the closure of active pockets, thus retaining the enzymatic activity of YLLIP2 with β-CD in methanol solvent. Copyright © 2016. Published by Elsevier Inc.

Ecosystem variability in the offshore northeastern Chukchi Sea

NASA Astrophysics Data System (ADS)

Blanchard, Arny L.; Day, Robert H.; Gall, Adrian E.; Aerts, Lisanne A. M.; Delarue, Julien; Dobbins, Elizabeth L.; Hopcroft, Russell R.; Questel, Jennifer M.; Weingartner, Thomas J.; Wisdom, Sheyna S.

2017-12-01

Understanding influences of cumulative effects from multiple stressors in marine ecosystems requires an understanding of the sources for and scales of variability. A multidisciplinary ecosystem study in the offshore northeastern Chukchi Sea during 2008-2013 investigated the variability of the study area's two adjacent sub-ecosystems: a pelagic system influenced by interannual and/or seasonal temporal variation at large, oceanographic (regional) scales, and a benthic-associated system more influenced by small-scale spatial variations. Variability in zooplankton communities reflected interannual oceanographic differences in waters advected northward from the Bering Sea, whereas variation in benthic communities was associated with seafloor and bottom-water characteristics. Variations in the planktivorous seabird community were correlated with prey distributions, whereas interaction effects in ANOVA for walruses were related to declines of sea-ice. Long-term shifts in seabird distributions were also related to changes in sea-ice distributions that led to more open water. Although characteristics of the lower trophic-level animals within sub-ecosystems result from oceanographic variations and interactions with seafloor topography, distributions of apex predators were related to sea-ice as a feeding platform (walruses) or to its absence (i.e., open water) for feeding (seabirds). The stability of prey resources appears to be a key factor in mediating predator interactions with other ocean characteristics. Seabirds reliant on highly-variable zooplankton prey show long-term changes as open water increases, whereas walruses taking benthic prey in biomass hotspots respond to sea-ice changes in the short-term. A better understanding of how variability scales up from prey to predators and how prey resource stability (including how critical prey respond to environmental changes over space and time) might be altered by climate and anthropogenic stressors is essential to predicting the future state of both the Chukchi and other arctic systems.

The conserved phenylalanine in the K+ channel voltage-sensor domain creates a barrier with unidirectional effects.

PubMed

Schwaiger, Christine S; Liin, Sara I; Elinder, Fredrik; Lindahl, Erik

2013-01-08

Voltage-gated ion channels are crucial for regulation of electric activity of excitable tissues such as nerve cells, and play important roles in many diseases. During activation, the charged S4 segment in the voltage sensor domain translates across a hydrophobic core forming a barrier for the gating charges. This barrier is critical for channel function, and a conserved phenylalanine in segment S2 has previously been identified to be highly sensitive to substitutions. Here, we have studied the kinetics of K(v)1-type potassium channels (Shaker and K(v)1.2/2.1 chimera) through site-directed mutagenesis, electrophysiology, and molecular simulations. The F290L mutation in Shaker (F233L in K(v)1.2/2.1) accelerates channel closure by at least a factor 50, although opening is unaffected. Free energy profiles with the hydrophobic neighbors of F233 mutated to alanine indicate that the open state with the fourth arginine in S4 above the hydrophobic core is destabilized by ∼17 kJ/mol compared to the first closed intermediate. This significantly lowers the barrier of the first deactivation step, although the last step of activation is unaffected. Simulations of wild-type F233 show that the phenyl ring always rotates toward the extracellular side both for activation and deactivation, which appears to help stabilize a well-defined open state. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Cdc45 (cell division cycle protein 45) guards the gate of the Eukaryote Replisome helicase stabilizing leading strand engagement

PubMed Central

Petojevic, Tatjana; Pesavento, James J.; Costa, Alessandro; Liang, Jingdan; Wang, Zhijun; Berger, James M.; Botchan, Michael R.

2015-01-01

DNA replication licensing is now understood to be the pathway that leads to the assembly of double hexamers of minichromosome maintenance (Mcm2–7) at origin sites. Cell division control protein 45 (Cdc45) and GINS proteins activate the latent Mcm2–7 helicase by inducing allosteric changes through binding, forming a Cdc45/Mcm2-7/GINS (CMG) complex that is competent to unwind duplex DNA. The CMG has an active gate between subunits Mcm2 and Mcm5 that opens and closes in response to nucleotide binding. The consequences of inappropriate Mcm2/5 gate actuation and the role of a side channel formed between GINS/Cdc45 and the outer edge of the Mcm2–7 ring for unwinding have remained unexplored. Here we uncover a novel function for Cdc45. Cross-linking studies trace the path of the DNA with the CMG complex at a fork junction between duplex and single strands with the bound CMG in an open or closed gate conformation. In the closed state, the lagging strand does not pass through the side channel, but in the open state, the leading strand surprisingly interacts with Cdc45. Mutations in the recombination protein J fold of Cdc45 that ablate this interaction diminish helicase activity. These data indicate that Cdc45 serves as a shield to guard against occasional slippage of the leading strand from the core channel. PMID:25561522

Vx-770 potentiates CFTR function by promoting decoupling between the gating cycle and ATP hydrolysis cycle.

PubMed

Jih, Kang-Yang; Hwang, Tzyh-Chang

2013-03-12

Vx-770 (Ivacaftor), a Food and Drug Administration (FDA)-approved drug for clinical application to patients with cystic fibrosis (CF), shifts the paradigm from conventional symptomatic treatments to therapeutics directly tackling the root of the disease: functional defects of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel caused by pathogenic mutations. The underlying mechanism for the action of Vx-770 remains elusive partly because this compound not only increases the activity of wild-type (WT) channels whose gating is primarily controlled by ATP binding/hydrolysis, but also improves the function of G551D-CFTR, a disease-associated mutation that abolishes CFTR's responsiveness to ATP. Here we provide a unified theory to account for this dual effect of Vx-770. We found that Vx-770 enhances spontaneous, ATP-independent activity of WT-CFTR to a similar magnitude as its effects on G551D channels, a result essentially explaining Vx-770's effect on G551D-CFTR. Furthermore, Vx-770 increases the open time of WT-CFTR in an [ATP]-dependent manner. This distinct kinetic effect is accountable with a newly proposed CFTR gating model depicting an [ATP]-dependent "reentry" mechanism that allows CFTR shuffling among different open states by undergoing multiple rounds of ATP hydrolysis. We further examined the effect of Vx-770 on R352C-CFTR, a unique mutant that allows direct observation of hydrolysis-triggered gating events. Our data corroborate that Vx-770 increases the open time of WT-CFTR by stabilizing a posthydrolytic open state and thereby fosters decoupling between the gating cycle and ATP hydrolysis cycle. The current study also suggests that this unique mechanism of drug action can be further exploited to develop strategies that enhance the function of CFTR.

Vx-770 potentiates CFTR function by promoting decoupling between the gating cycle and ATP hydrolysis cycle

PubMed Central

Jih, Kang-Yang; Hwang, Tzyh-Chang

2013-01-01

Vx-770 (Ivacaftor), a Food and Drug Administration (FDA)-approved drug for clinical application to patients with cystic fibrosis (CF), shifts the paradigm from conventional symptomatic treatments to therapeutics directly tackling the root of the disease: functional defects of the cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel caused by pathogenic mutations. The underlying mechanism for the action of Vx-770 remains elusive partly because this compound not only increases the activity of wild-type (WT) channels whose gating is primarily controlled by ATP binding/hydrolysis, but also improves the function of G551D-CFTR, a disease-associated mutation that abolishes CFTR’s responsiveness to ATP. Here we provide a unified theory to account for this dual effect of Vx-770. We found that Vx-770 enhances spontaneous, ATP-independent activity of WT-CFTR to a similar magnitude as its effects on G551D channels, a result essentially explaining Vx-770’s effect on G551D-CFTR. Furthermore, Vx-770 increases the open time of WT-CFTR in an [ATP]-dependent manner. This distinct kinetic effect is accountable with a newly proposed CFTR gating model depicting an [ATP]-dependent “reentry” mechanism that allows CFTR shuffling among different open states by undergoing multiple rounds of ATP hydrolysis. We further examined the effect of Vx-770 on R352C-CFTR, a unique mutant that allows direct observation of hydrolysis-triggered gating events. Our data corroborate that Vx-770 increases the open time of WT-CFTR by stabilizing a posthydrolytic open state and thereby fosters decoupling between the gating cycle and ATP hydrolysis cycle. The current study also suggests that this unique mechanism of drug action can be further exploited to develop strategies that enhance the function of CFTR. PMID:23440202

3D Modeling of Landslide in Open-pit Mining on Basis of Ground-based LIDAR Data

NASA Astrophysics Data System (ADS)

Hu, H.; Fernandez-Steeger, T. M.; Azzam, R.; Arnhardt, C.

2009-04-01

Slope stability is not only an important problem which is related to production and safety in open-pit mining, but also very complex task. There are three main reasons which affect the slope stability as follows: geotechnical factors: Geological structure, lithologic characteristics, water, cohesion, friction, etc.; climate factors: Rainfall and temperature; and external factors: Open-pit mining process, explosion vibration, dynamic load, etc.. The 3rd reason, as a specially one in open-pit mining, not only causes some dynamic problems but also induces the fast geometry changing which must be considered in the following research using numerical simulation and stability analysis. Recently, LIDAR technology has been applied in many fields and places in the world wide. Ground-based LIDAR technology with high accuracy up to 3mm increasingly accommodates to monitoring landslides and detecting changing. LIDAR data collection and preprocessing research have been carried out by Department of Engineering Geology and Hydrogeology at RWTH Aachen University. LIDAR data, so-called a point-cloud of mass data in high density can be obtained in short time for the sensitive open-pit mining area by using ground-based LIDAR. To obtain a consistent surface model, it is necessary to set up multiple scans with the ground-based LIDAR. The framework of data preprocessing which can be implemented by Poly-Works is introduced as follows: gross error detection and elimination, integration of reference frame, model fusion of different scans (re-sampled in overlap region), data reduction without removing the useful information which is a challenge and research front in LIDAR data processing. After data preprocessing, 3D surface model can be directly generated in Poly-Works or generated in other software by building the triangular meshes. The 3D surface landslide model can be applied to further researches such as: real time landslide geometry monitoring due to the fast data collection and processing; change detecting by means of overlying different periods of topographic or geometric data; FEM (Finite Element Method) numerical simulation on basis of combining with the geotechnical properties and parameters to analyze slope stability and predict future movements for designing and rectifying the open-pit mining process; using the reverse engineering thought for developing constitutive models. An improved 3D surface model (HRDEM) which is based on fast data collection and precise data processing on basis of ground-based LIDAR technology is important contribution for further researches of slope stability in open-pit mining area.

SNAP 10A ESTIMATED ELECTRICAL CHARACTERISTICS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cooper, J.C.

1961-06-01

The electrical power characteristics of a SNAP 10A converter are estimated for given fractions of power degradation. Graphs are included showing the power characteristics for instantaneous transients from stabilized operation at the maximum efficiency point, and after system temperature stabilization at the operating point. Open-circuit emf's of the converter are estimated for instantaneous and temperature-stabilized cases. (D.L.C.)

States that are far from being stabilizer states

NASA Astrophysics Data System (ADS)

Andersson, David; Bengtsson, Ingemar; Blanchfield, Kate; Bui Dang, Hoan

2015-08-01

Stabilizer states are eigenvectors of maximal commuting sets of operators in a finite Heisenberg group. States that are far from being stabilizer states include magic states in quantum computation, MUB-balanced states, and SIC vectors. In prime dimensions the latter two fall under the umbrella of minimum uncertainty states (MUSs) in the sense of Wootters and Sussman. We study the correlation between two ways in which the notion of ‘far from being a stabilizer state’ can be quantified. Two theorems valid for all prime dimensions are given, as well as detailed results for low dimensions. In dimension 7 we identify the MUB-balanced states as being antipodal to the SIC vectors within the set of MUS, in a sense that we make definite. In dimension 4 we show that the states that come closest to being MUS with respect to all of the six stabilizer MUBs are the fiducial vectors for Alltop MUBs.

Incorporating voltage security into the planning, operation and monitoring of restructured electric energy markets

NASA Astrophysics Data System (ADS)

Nair, Nirmal-Kumar

As open access market principles are applied to power systems, significant changes are happening in their planning, operation and control. In the emerging marketplace, systems are operating under higher loading conditions as markets focus greater attention to operating costs than stability and security margins. Since operating stability is a basic requirement for any power system, there is need for newer tools to ensure stability and security margins being strictly enforced in the competitive marketplace. This dissertation investigates issues associated with incorporating voltage security into the unbundled operating environment of electricity markets. It includes addressing voltage security in the monitoring, operational and planning horizons of restructured power system. This dissertation presents a new decomposition procedure to estimate voltage security usage by transactions. The procedure follows physical law and uses an index that can be monitored knowing the state of the system. The expression derived is based on composite market coordination models that have both PoolCo and OpCo transactions, in a shared stressed transmission grid. Our procedure is able to equitably distinguish the impacts of individual transactions on voltage stability, at load buses, in a simple and fast manner. This dissertation formulates a new voltage stability constrained optimal power flow (VSCOPF) using a simple voltage security index. In modern planning, composite power system reliability analysis that encompasses both adequacy and security issues is being developed. We have illustrated the applicability of our VSCOPF into composite reliability analysis. This dissertation also delves into the various applications of voltage security index. Increasingly, FACT devices are being used in restructured markets to mitigate a variety of operational problems. Their control effects on voltage security would be demonstrated using our VSCOPF procedure. Further, this dissertation investigates the application of steady state voltage stability index to detect potential dynamic voltage collapse. Finally, this dissertation examines developments in representation, standardization, communication and exchange of power system data. Power system data is the key input to all analytical engines for system operation, monitoring and control. Data exchange and dissemination could impact voltage security evaluation and therefore needs to be critically examined.

Nanobubbles in confined solution: Generation, contact angle, and stability.

PubMed

Wei, Jiachen; Zhang, Xianren; Song, Fan; Shao, Yingfeng

2018-02-14

The formation of gas bubbles presents a frequent challenge to microfluidic operations, for which fluids are geometrically confined to a microscale space. Here, to understand the mechanism of nucleating gas bubbles in microfluidic devices, we investigate the formation and stability of nanobubbles in confined solutions. Our molecular dynamics simulations show that while pinning of the contact line is a prerequisite for the stability of surface nanobubbles in open systems that can exchange gas with surrounding environment, in confined solutions, stable nanobubbles can exist even without pinning. In supersaturated condition, stable bubbles can be found in confined solutions with acute or obtuse contact angle, depending on the substrate hydrophobicity. We also demonstrate that when open to the bulk solution, the stable nanobubbles in closed systems would become unstable unless both supersaturation and pinning of the contact line are satisfied. Our results not only shed light on the design of novel heterogeneous surfaces for generating nanobubbles in confined space with controllable shape and stability but also address the crucial effect of gas exchange with the surroundings in determining the stability of nanobubbles.

Nanobubbles in confined solution: Generation, contact angle, and stability

NASA Astrophysics Data System (ADS)

Wei, Jiachen; Zhang, Xianren; Song, Fan; Shao, Yingfeng

2018-02-01

The formation of gas bubbles presents a frequent challenge to microfluidic operations, for which fluids are geometrically confined to a microscale space. Here, to understand the mechanism of nucleating gas bubbles in microfluidic devices, we investigate the formation and stability of nanobubbles in confined solutions. Our molecular dynamics simulations show that while pinning of the contact line is a prerequisite for the stability of surface nanobubbles in open systems that can exchange gas with surrounding environment, in confined solutions, stable nanobubbles can exist even without pinning. In supersaturated condition, stable bubbles can be found in confined solutions with acute or obtuse contact angle, depending on the substrate hydrophobicity. We also demonstrate that when open to the bulk solution, the stable nanobubbles in closed systems would become unstable unless both supersaturation and pinning of the contact line are satisfied. Our results not only shed light on the design of novel heterogeneous surfaces for generating nanobubbles in confined space with controllable shape and stability but also address the crucial effect of gas exchange with the surroundings in determining the stability of nanobubbles.

Physical and chemical stability of nanostructured lipid drug carriers (NLC) based on natural lipids from Baikal region (Siberia, Russia).

PubMed

Averina, E S; Müller, R H; Popov, D V; Radnaeva, L D

2011-05-01

At the turn of the millennium, a new generation of lipid nanoparticles for pharmacology was developed, nanostructured lipid carriers (NLC). The features of NLC structure which allow the inclusion of natural biologically active lipids in the NLC matrix open a wide prospect for the creation of high performance drug carriers. In this study NLC formulations were developed based on natural lipids from the Siberia region (Russia): fish oil from Lake Baikal fish; polyunsaturated fatty acid fractions and monounsaturated and saturated fatty acid fractions from fish oil and Siberian pine seed oil. Formulation parameters of NLC such as as type of surfactant and storage conditions were evaluated. The data obtained indicated high physical stability of NLC formulated on the basis of pure fish oil stabilized by Tween 80 and NLC formulated on the basis of free fatty acids stabilized by Poloxamer 188. The good chemical stability of the lipid matrix and the high concentrations of the biologically active polyunsaturated fatty acids in the NLC developed open wide prospects for their use in pharmaceutics and cosmetics.

Experimental pressure-temperature phase diagram of boron: resolving the long-standing enigma

PubMed Central

Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Bykova, Elena; Wirth, Richard; Dubrovinsky, Leonid

2011-01-01

Boron, discovered as an element in 1808 and produced in pure form in 1909, has still remained the last elemental material, having stable natural isotopes, with the ground state crystal phase to be unknown. It has been a subject of long-standing controversy, if α-B or β-B is the thermodynamically stable phase at ambient pressure and temperature. In the present work this enigma has been resolved based on the α-B-to- β-B phase boundary line which we experimentally established in the pressure interval of ∼4 GPa to 8 GPa and linearly extrapolated down to ambient pressure. In a series of high pressure high temperature experiments we synthesised single crystals of the three boron phases (α-B, β-B, and γ-B) and provided evidence of higher thermodynamic stability of α-B. Our work opens a way for reproducible synthesis of α-boron, an optically transparent direct band gap semiconductor with very high hardness, thermal and chemical stability. PMID:22355614

Mechanism of partial agonism in AMPA-type glutamate receptors

PubMed Central

Salazar, Hector; Eibl, Clarissa; Chebli, Miriam; Plested, Andrew

2017-01-01

Neurotransmitters trigger synaptic currents by activating ligand-gated ion channel receptors. Whereas most neurotransmitters are efficacious agonists, molecules that activate receptors more weakly—partial agonists—also exist. Whether these partial agonists have weak activity because they stabilize less active forms, sustain active states for a lesser fraction of the time or both, remains an open question. Here we describe the crystal structure of an α-amino-3-hydroxy-5-methyl-4-isoxazolepropionate receptor (AMPAR) ligand binding domain (LBD) tetramer in complex with the partial agonist 5-fluorowillardiine (FW). We validate this structure, and others of different geometry, using engineered intersubunit bridges. We establish an inverse relation between the efficacy of an agonist and its promiscuity to drive the LBD layer into different conformations. These results suggest that partial agonists of the AMPAR are weak activators of the receptor because they stabilize multiple non-conducting conformations, indicating that agonism is a function of both the space and time domains. PMID:28211453

Stabilization of a spatially uniform steady state in two systems exhibiting Turing patterns

NASA Astrophysics Data System (ADS)

Konishi, Keiji; Hara, Naoyuki

2018-05-01

This paper deals with the stabilization of a spatially uniform steady state in two coupled one-dimensional reaction-diffusion systems with Turing instability. This stabilization corresponds to amplitude death that occurs in a coupled system with Turing instability. Stability analysis of the steady state shows that stabilization does not occur if the two reaction-diffusion systems are identical. We derive a sufficient condition for the steady state to be stable for any length of system and any boundary conditions. Our analytical results are supported with numerical examples.

Critical study of current situation of Vrănicioara tailing pond on Cavnicului Valley, risks and consequences

NASA Astrophysics Data System (ADS)

Bud, I.; Duma, S.; Gusat, D.; Pasca, I.; Bud, A.

2017-05-01

In northern Romania, there are numerous tailing ponds, resulting from mining activities that present significant environmental risks. Some of them, including Vrănicioara tailing pond, were the subject of technical projects for ecological rehabilitation. Vrănicioara pond is located on the right side of Cavnic Valley, downstream Cavnic town, about 4 kilometers far. It has about 500 m length and is located parallel to the road linking Baia Sprie and Cavnic localities. Chemical and physical stability of the tailing pond before rehabilitation interest the research, analysis and conclusions were published in several scientific meetings. In addition, close to the pond at less than 100 m, an open pit has developed, exploiting andesite by mining blast, increasing the risk of physical stability by continuous exposure to vibration. This activity currently continues, advancing towards the tailing pond body. The critical study addresses the current state of Vrănicioara Tailing Pond, analysis of some rehabilitation works done incorrectly, analysis of chemical stability that was not a priority during rehabilitation. Research intention is heading to water analysis confirming the existence of acid drainage that was not stopped or at least reduced. The scientific approach is based on the Technical Standards for Waste Deposits, in force in Romania, providing the rules to ensure physical and chemical stability.

Micromagnetic study of skyrmion stability in confined magnetic structures with perpendicular anisotropy

NASA Astrophysics Data System (ADS)

Novak, R. L.; Garcia, F.; Novais, E. R. P.; Sinnecker, J. P.; Guimarães, A. P.

2018-04-01

Skyrmions are emerging topological spin structures that are potentially revolutionary for future data storage and spintronics applications. The existence and stability of skyrmions in magnetic materials is usually associated to the presence of the Dzyaloshinskii-Moriya interaction (DMI) in bulk magnets or in magnetic thin films lacking inversion symmetry. While some methods have already been proposed to generate isolated skyrmions in thin films with DMI, a thorough study of the conditions under which the skyrmions will remain stable in order to be manipulated in an integrated spintronic device are still an open problem. The stability of such structures is believed to be a result of ideal combinations of perpendicular magnetic anisotropy (PMA), DMI and the interplay between geometry and magnetostatics. In the present work we show some micromagnetic results supporting previous experimental observations of magnetic skyrmions in spin-valve stacks with a wide range of DMI values. Using micromagnetic simulations of cobalt-based disks, we obtain the magnetic ground state configuration for several values of PMA, DMI and geometric parameters. Skyrmion numbers, corresponding to the topological charge, are calculated in all cases and confirm the occurrence of isolated, stable, axially symmetric skyrmions for several combinations of DMI and anisotropy constant. The stability of the skyrmions in disks is then investigated under magnetic field and spin-polarized current, in finite temperature, highlighting the limits of applicability of these spin textures in spintronic devices.

Elucidating the Activation Mechanism of the Insulin-Family Proteins with Molecular Dynamics Simulations.

PubMed

Papaioannou, Anastasios; Kuyucak, Serdar; Kuncic, Zdenka

2016-01-01

The insulin-family proteins bind to their own receptors, but insulin-like growth factor II (IGF-II) can also bind to the A isoform of the insulin receptor (IR-A), activating unique and alternative signaling pathways from those of insulin. Although extensive studies of insulin have revealed that its activation is associated with the opening of the B chain-C terminal (BC-CT), the activation mechanism of the insulin-like growth factors (IGFs) still remains unknown. Here, we present the first comprehensive study of the insulin-family proteins comparing their activation process and mechanism using molecular dynamics simulations to reveal new insights into their specificity to the insulin receptor. We have found that all the proteins appear to exhibit similar stochastic dynamics in their conformational change to an active state. For the IGFs, our simulations show that activation involves two opening locations: the opening of the BC-CT section away from the core, similar to insulin; and the additional opening of the BC-CT section away from the C domain. Furthermore, we have found that these two openings occur simultaneously in IGF-I, but not in IGF-II, where they can occur independently. This suggests that the BC-CT section and the C domain behave as a unified domain in IGF-I, but as two independent domains in IGF-II during the activation process, implying that the IGFs undergo different activation mechanisms for receptor binding. The probabilities of the active and inactive states of the proteins suggest that IGF-II is hyperactive compared to IGF-I. The hinge residue and the hydrophobic interactions in the core are found to play a critical role in the stability and activity of IGFs. Overall, our simulations have elucidated the crucial differences and similarities in the activation mechanisms of the insulin-family proteins, providing new insights into the molecular mechanisms responsible for the observed differences between IGF-I and IGF-II in receptor binding.

Force-dependent melting of supercoiled DNA at thermophilic temperatures.

PubMed

Galburt, E A; Tomko, E J; Stump, W T; Ruiz Manzano, A

2014-01-01

Local DNA opening plays an important role in DNA metabolism as the double-helix must be melted before the information contained within may be accessed. Cells finely tune the torsional state of their genomes to strike a balance between stability and accessibility. For example, while mesophilic life forms maintain negatively superhelical genomes, thermophilic life forms use unique mechanisms to maintain relaxed or even positively supercoiled genomes. Here, we use a single-molecule magnetic tweezers approach to quantify the force-dependent equilibrium between DNA melting and supercoiling at high temperatures populated by Thermophiles. We show that negatively supercoiled DNA denatures at 0.5 pN lower tension at thermophilic vs. mesophilic temperatures. This work demonstrates the ability to monitor DNA supercoiling at high temperature and opens the possibility to perform magnetic tweezers assays on thermophilic systems. The data allow for an estimation of the relative energies of base-pairing and DNA bending as a function of temperature and support speculation as to different general mechanisms of DNA opening in different environments. Lastly, our results imply that average in vivo DNA tensions range between 0.3 and 1.1 pN. Copyright © 2014 Elsevier B.V. All rights reserved.

State fusion entropy for continuous and site-specific analysis of landslide stability changing regularities

NASA Astrophysics Data System (ADS)

Liu, Yong; Qin, Zhimeng; Hu, Baodan; Feng, Shuai

2018-04-01

Stability analysis is of great significance to landslide hazard prevention, especially the dynamic stability. However, many existing stability analysis methods are difficult to analyse the continuous landslide stability and its changing regularities in a uniform criterion due to the unique landslide geological conditions. Based on the relationship between displacement monitoring data, deformation states and landslide stability, a state fusion entropy method is herein proposed to derive landslide instability through a comprehensive multi-attribute entropy analysis of deformation states, which are defined by a proposed joint clustering method combining K-means and a cloud model. Taking Xintan landslide as the detailed case study, cumulative state fusion entropy presents an obvious increasing trend after the landslide entered accelerative deformation stage and historical maxima match highly with landslide macroscopic deformation behaviours in key time nodes. Reasonable results are also obtained in its application to several other landslides in the Three Gorges Reservoir in China. Combined with field survey, state fusion entropy may serve for assessing landslide stability and judging landslide evolutionary stages.

Medico-Artistic Complicities on Swedish Stages: The Boys in the Band and the Regulation of Gay Male Representation in the Welfare State.

PubMed

Gindt, Dirk

2016-01-01

Seeking to understand the highly unfavorable conditions for the development of gay male theater in Sweden, this essay engages in a historical study of the national opening of Mart Crowley's The Boys in the Band at Malmö City Theatre in 1970. Propelled by a Foucauldian-inspired theoretical approach, it identifies the subtle, yet highly effective, measures of control that the, at the time, social democratic welfare state exercised over representations of homosexuality on stage. State representatives, who complied with the official political and medical doctrine that homosexuality was a mental illness and posed a potential threat to social stability, interfered at various levels of the production, including the rehearsal process and post-performance talks between cast members and audiences. This alliance between Swedish theaters and members of the medical, psychological, and sexological professions constituted a medico-artistic complicity that supervised and regulated early attempts of gay representation on stage.

Sigma- versus Pi-Dimerization Modes of Triangulene.

PubMed

Mou, Zhongyu; Kertesz, Miklos

2018-04-20

We show that the diradicaloid triangulene, a graphene nano-flake molecule, can aggregate in a variety of dimerization modes. We found by density functional theory modeling a number of triangulene dimers including six doubly bonded σ-dimers in addition to the previously reported six pancake bonded π-dimer isomers. The σ-dimers display a wide range of stabilities: the interaction energy of the most stable σ-dimer is -25.17 kcal mol -1 . Besides the doubly bonded σ-dimers with closed shell ground states, we also found an open-shell singly σ-bonded diradicaloid dimer. We found an interesting isomerization route between a doubly bonded σ-dimer, a singly bonded σ-dimer with a low-lying triplet state and two π-bonded dimers with low-lying quintet states. Derivatives of triangulene, trioxo-triangulenes (TOTs) have been previously characterized experimentally. Here, we show the reasons why so far only the π-dimer but not the σ-dimer was experimentally observed for all TOTs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

OPTICON: Pro-Matlab software for large order controlled structure design

NASA Technical Reports Server (NTRS)

Peterson, Lee D.

1989-01-01

A software package for large order controlled structure design is described and demonstrated. The primary program, called OPTICAN, uses both Pro-Matlab M-file routines and selected compiled FORTRAN routines linked into the Pro-Matlab structure. The program accepts structural model information in the form of state-space matrices and performs three basic design functions on the model: (1) open loop analyses; (2) closed loop reduced order controller synthesis; and (3) closed loop stability and performance assessment. The current controller synthesis methods which were implemented in this software are based on the Generalized Linear Quadratic Gaussian theory of Bernstein. In particular, a reduced order Optimal Projection synthesis algorithm based on a homotopy solution method was successfully applied to an experimental truss structure using a 58-state dynamic model. These results are presented and discussed. Current plans to expand the practical size of the design model to several hundred states and the intention to interface Pro-Matlab to a supercomputing environment are discussed.

Tunable magnetism in metal adsorbed fluorinated nanoporous graphene

DOE PAGES

Kumar, Pankaj; Sharma, Vinit; Reboredo, Fernando A.; ...

2016-08-24

Developing nanostructures with tunable magnetic states is crucial for designing novel data storage and quantum information devices. Using density functional theory, we study the thermodynamic stability and magnetic properties of tungsten adsorbed tri-vacancy fluorinated (TVF) graphene. We demonstrate a strong structure-property relationship and its response to external stimuli via defect engineering in graphene-based materials. Complex interplay between defect states and the chemisorbed atom results in a large magnetic moment of 7 μ B along with high in-plane magneto-crystalline anisotropy energy (MAE) of 17 meV. Under the influence of electric field, spin crossover effect accompanied by a change in the MAEmore » is observed. The ascribed change in spin-configuration is caused by the modification of exchange coupling between defect states and a change in the occupation of d-orbitals of the metal complex. In conclusion, our predictions open a promising way towards controlling the magnetic properties in graphene based spintronic and non-volatile memory devices.« less

Creating Open Textbooks: A Unique Partnership between Oregon State University Libraries and Press and Open Oregon State

ERIC Educational Resources Information Center

Chadwell, Faye A.; Fisher, Dianna M.

2016-01-01

This article presents Oregon State University's experience launching an innovative Open Textbook initiative in spring 2014. The partners, Open Oregon State and the Oregon State University Libraries and Press, aimed to reduce the cost of course materials for students while ensuring the content created was peer-reviewed and employed multimedia…

LeuT conformational sampling utilizing accelerated molecular dynamics and principal component analysis.

PubMed

Thomas, James R; Gedeon, Patrick C; Grant, Barry J; Madura, Jeffry D

2012-07-03

Monoamine transporters (MATs) function by coupling ion gradients to the transport of dopamine, norepinephrine, or serotonin. Despite their importance in regulating neurotransmission, the exact conformational mechanism by which MATs function remains elusive. To this end, we have performed seven 250 ns accelerated molecular dynamics simulations of the leucine transporter, a model for neurotransmitter MATs. By varying the presence of binding-pocket leucine substrate and sodium ions, we have sampled plausible conformational states representative of the substrate transport cycle. The resulting trajectories were analyzed using principal component analysis of transmembrane helices 1b and 6a. This analysis revealed seven unique structures: two of the obtained conformations are similar to the currently published crystallographic structures, one conformation is similar to a proposed open inward structure, and four conformations represent novel structures of potential importance to the transport cycle. Further analysis reveals that the presence of binding-pocket sodium ions is necessary to stabilize the locked-occluded and open-inward conformations. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Hyaluronan modulates TRPV1 channel opening, reducing peripheral nociceptor activity and pain

PubMed Central

Caires, Rebeca; Luis, Enoch; Taberner, Francisco J.; Fernandez-Ballester, Gregorio; Ferrer-Montiel, Antonio; Balazs, Endre A.; Gomis, Ana; Belmonte, Carlos; de la Peña, Elvira

2015-01-01

Hyaluronan (HA) is present in the extracellular matrix of all body tissues, including synovial fluid in joints, in which it behaves as a filter that buffers transmission of mechanical forces to nociceptor nerve endings thereby reducing pain. Using recombinant systems, mouse-cultured dorsal root ganglia (DRG) neurons and in vivo experiments, we found that HA also modulates polymodal transient receptor potential vanilloid subtype 1 (TRPV1) channels. HA diminishes heat, pH and capsaicin (CAP) responses, thus reducing the opening probability of the channel by stabilizing its closed state. Accordingly, in DRG neurons, HA decreases TRPV1-mediated impulse firing and channel sensitization by bradykinin. Moreover, subcutaneous HA injection in mice reduces heat and capsaicin nocifensive responses, whereas the intra-articular injection of HA in rats decreases capsaicin joint nociceptor fibres discharge. Collectively, these results indicate that extracellular HA reduces the excitability of the ubiquitous TRPV1 channel, thereby lowering impulse activity in the peripheral nociceptor endings underlying pain. PMID:26311398

Evidence for an intermediate conformational state of LacY.

PubMed

Jiang, Xiaoxu; Guan, Lan; Zhou, Yonggang; Hong, Wen-Xu; Zhang, Qinghai; Kaback, H Ronald

2012-03-20

LacY mutant Cys154 → Gly exhibits a periplasmic-closed crystal structure identical to the WT, but is periplasmic-open in the membrane. The mutant hardly catalyzes transport, but binds galactosides from either side of the membrane with the same affinity and is resistant to site-directed proteolysis relative to the pseudo-WT. Site-directed alkylation was also applied to 11 single-Cys mutants in Cys154 → Gly LacY in right-side-out membrane vesicles or after solubilization and purification in dodecyl-β-D-maltopyranoside (DDM). Unlike the pseudo-WT, Cys replacements on the periplasmic side of the Cys154 → Gly mutant label rapidly in the membrane without sugar, but labeling decreases markedly after the mutant proteins are purified. Thus, Cys154 → Gly LacY likely favors a higher-energy intermediate periplasmic-open conformation in situ, but collapses to a lower-energy periplasmic-closed conformation in DDM after purification. Notably, branched-chain or neopentyl glycol maltoside detergents stabilize Cys154 → Gly LacY in the membrane-embedded form.

Holliday Junction Thermodynamics and Structure: Coarse-Grained Simulations and Experiments

NASA Astrophysics Data System (ADS)

Wang, Wujie; Nocka, Laura M.; Wiemann, Brianne Z.; Hinckley, Daniel M.; Mukerji, Ishita; Starr, Francis W.

2016-03-01

Holliday junctions play a central role in genetic recombination, DNA repair and other cellular processes. We combine simulations and experiments to evaluate the ability of the 3SPN.2 model, a coarse-grained representation designed to mimic B-DNA, to predict the properties of DNA Holliday junctions. The model reproduces many experimentally determined aspects of junction structure and stability, including the temperature dependence of melting on salt concentration, the bias between open and stacked conformations, the relative populations of conformers at high salt concentration, and the inter-duplex angle (IDA) between arms. We also obtain a close correspondence between the junction structure evaluated by all-atom and coarse-grained simulations. We predict that, for salt concentrations at physiological and higher levels, the populations of the stacked conformers are independent of salt concentration, and directly observe proposed tetrahedral intermediate sub-states implicated in conformational transitions. Our findings demonstrate that the 3SPN.2 model captures junction properties that are inaccessible to all-atom studies, opening the possibility to simulate complex aspects of junction behavior.

Crystal structure of group II intron domain 1 reveals a template for RNA assembly

DOE PAGES

Zhao, Chen; Rajashankar, Kanagalaghatta R.; Marcia, Marco; ...

2015-10-26

Although the importance of large noncoding RNAs is increasingly appreciated, our understanding of their structures and architectural dynamics remains limited. In particular, we know little about RNA folding intermediates and how they facilitate the productive assembly of RNA tertiary structures. In this paper, we report the crystal structure of an obligate intermediate that is required during the earliest stages of group II intron folding. Composed of domain 1 from the Oceanobacillus iheyensis group II intron (266 nucleotides), this intermediate retains native-like features but adopts a compact conformation in which the active site cleft is closed. Transition between this closed andmore » the open (native) conformation is achieved through discrete rotations of hinge motifs in two regions of the molecule. Finally, the open state is then stabilized by sequential docking of downstream intron domains, suggesting a 'first come, first folded' strategy that may represent a generalizable pathway for assembly of large RNA and ribonucleoprotein structures.« less

Crystal structure of a transcribing RNA Polymerase II complex reveals a complete transcription bubble

PubMed Central

Barnes, Christopher O.; Calero, Monica; Malik, Indranil; Graham, Brian W.; Spahr, Henrik; Lin, Guowu; Cohen, Aina; Brown, Ian S.; Zhang, Qiangmin; Pullara, Filippo; Trakselis, Michael A.; Kaplan, Craig D.; Calero, Guillermo

2015-01-01

Summary Notwithstanding numerous published structures of RNA Polymerase II (Pol II), structural details of Pol II engaging a complete nucleic acid scaffold have been lacking. Here, we report the structures of TFIIF stabilized transcribing Pol II complexes, revealing the upstream duplex and full transcription bubble. The upstream duplex lies over a wedge-shaped loop from Rpb2 that engages its minor groove, providing part of the structural framework for DNA tracking during elongation. At the upstream transcription bubble fork, rudder and fork loop-1 residues spatially coordinate strand annealing and the nascent RNA transcript. At the downstream fork, a network of Pol II interactions with the non-template strand forms a rigid domain with the Trigger Loop (TL), allowing visualization of its open state. Overall, our observations suggest that “open/closed” conformational transitions of the TL may be linked to interactions with the non-template strand, possibly in a synchronized ratcheting manner conducive to polymerase translocation. PMID:26186291

Antagonism of Lidocaine Inhibition by Open-Channel Blockers That Generate Resurgent Na Current

PubMed Central

Bant, Jason S.; Aman, Teresa K.; Raman, Indira M.

2013-01-01

Na channels that generate resurgent current express an intracellular endogenous open-channel blocking protein, whose rapid binding upon depolarization and unbinding upon repolarization minimizes fast and slow inactivation. Na channels also bind exogenous compounds, such as lidocaine, which functionally stabilize inactivation. Like the endogenous blocking protein, these use-dependent inhibitors bind most effectively at depolarized potentials, raising the question of how lidocaine-like compounds affect neurons with resurgent Na current. We therefore recorded lidocaine inhibition of voltage-clamped, tetrodotoxin-sensitive Na currents in mouse Purkinje neurons, which express a native blocking protein, and in mouse hippocampal CA3 pyramidal neurons with and without a peptide from the cytoplasmic tail of NaVβ4 (the β4 peptide), which mimics endogenous open-channel block. To control channel states during drug exposure, lidocaine was applied with rapid-solution exchange techniques during steps to specific voltages. Inhibition of Na currents by lidocaine was diminished by either the β4 peptide or the native blocking protein. In peptide-free CA3 cells, prolonging channel opening with a site-3 toxin, anemone toxin II, reduced lidocaine inhibition; this effect was largely occluded by open-channel blockers, suggesting that lidocaine binding is favored by inactivation but prevented by open-channel block. In constant 100 μM lidocaine, current-clamped Purkinje cells continued to fire spontaneously. Similarly, the β4 peptide reduced lidocaine-dependent suppression of spiking in CA3 neurons in slices. Thus, the open-channel blocking protein responsible for resurgent current acts as a natural antagonist of lidocaine. Neurons with resurgent current may therefore be less susceptible to use-dependent Na channel inhibitors used as local anesthetic, antiarrhythmic, and anticonvulsant drugs. PMID:23486968

Rational geometrical engineering of palladium sulfide multi-arm nanostructures as a superior bi-functional electrocatalyst.

PubMed

Nandan, R; Nanda, K K

2017-08-31

Geometrical tunability offers sharp edges and an open-armed structure accompanied with a high electrochemical active surface area to ensure the efficient and effective utilization of materials by exposing the electrochemical active sites for facile accessibility of reactant species. Herein, we report a one-step, single-pot, surfactant-free, electroless, and economic route to synthesize palladium sulfide nanostructures with different geometries at mild temperatures and their catalytic properties towards the oxygen reduction reaction (ORR) and methanol electro-oxidation (MOR). For ORR, the positive on-set, half wave potentials, smaller Tafel slope, high electrochemical active surface area, large roughness factor, and better cyclic stability of the proposed nanostructures as compared to those of the commercial state-of-the-art Pt-C/PdS catalysts suggest their superiority in an alkaline medium. In addition, high mass activity (J f ∼ 715 mA mg -1 ), in comparison with that of the commercial state-of-the-art Pt-C/PdS catalysts (J f ∼ 138/41 mA mg -1 , respectively), and high J f /J b (1.52) along with the superior operational stability of the multi-arm palladium sulfide nanostructures towards MOR advocates the bi-functional behavior of the catalyst and its potential as a promising Pt-free anode/cathode electrocatalyst in fuel cells.

First-principles thermodynamics study of phase stability in inorganic halide perovskite solid solutions

NASA Astrophysics Data System (ADS)

Bechtel, Jonathon S.; Van der Ven, Anton

2018-04-01

Halide substitution gives rise to a tunable band gap as a function of composition in halide perovskite materials. However, photoinduced phase segregation, observed at room temperature in mixed halide A Pb (IxBr1-x) 3 systems, limits open circuit voltages and decreases photovoltaic device efficiencies. We investigate equilibrium phase stability of orthorhombic P n m a γ -phase CsM (XxY1-x) 3 perovskites where M is Pb or Sn, and X and Y are Br, Cl, or I. Finite-temperature phase diagrams are constructed using a cluster expansion effective Hamiltonian parameterized from first-principles density-functional-theory calculations. Solid solution phases for CsM (IxBr1-x) 3 and CsM (BrxCl1-x) 3 are predicted to be stable well below room temperature while CsM (IxCl1-x) 3 systems have miscibility gaps that extend above 400 K. The height of the miscibility gap correlates with the difference in volume between end members. Also layered ground states are found on the convex hull at x =2 /3 for CsSnBr2Cl ,CsPbI2Br , and CsPbBrCl2. The impact of these ground states on the finite temperature phase diagram is discussed in the context of the experimentally observed photoinduced phase segregation.

Continuous generation and stabilization of mesoscopic field superposition states in a quantum circuit

NASA Astrophysics Data System (ADS)

Roy, Ananda; Leghtas, Zaki; Stone, A. Douglas; Devoret, Michel; Mirrahimi, Mazyar

2015-01-01

While dissipation is widely considered to be harmful for quantum coherence, it can, when properly engineered, lead to the stabilization of nontrivial pure quantum states. We propose a scheme for continuous generation and stabilization of Schrödinger cat states in a cavity using dissipation engineering. We first generate nonclassical photon states with definite parity by means of a two-photon drive and dissipation, and then stabilize these transient states against single-photon decay. The single-photon stabilization is autonomous, and is implemented through a second engineered bath, which exploits the photon-number-dependent frequency splitting due to Kerr interactions in the strongly dispersive regime of circuit QED. Starting with the Hamiltonian of the baths plus cavity, we derive an effective model of only the cavity photon states along with analytic expressions for relevant physical quantities, such as the stabilization rate. The deterministic generation of such cat states is one of the key ingredients in performing universal quantum computation.

Mechanistic insights into allosteric regulation of the A 2A adenosine G protein-coupled receptor by physiological cations

DOE PAGES

Ye, Libin; Neale, Chris Andrew; Sljoka, Adnan; ...

2018-04-10

Cations play key roles in regulating G-protein-coupled receptors (GPCRs), although their mechanisms are poorly understood. Here, 19F NMR is used to delineate the effects of cations on functional states of the adenosine A 2A GPCR. While Na + reinforces an inactive ensemble and a partial-agonist stabilized state, Ca 2+ and Mg 2+ shift the equilibrium toward active states. Positive allosteric effects of divalent cations are more pronounced with agonist and a G-protein-derived peptide. In cell membranes, divalent cations enhance both the affinity and fraction of the high affinity agonist-bound state. Molecular dynamics simulations suggest high concentrations of divalent cations bridgemore » specific extracellular acidic residues, bringing TM5 and TM6 together at the extracellular surface and allosterically driving open the G-protein-binding cleft as shown by rigidity-transmission allostery theory. Lastly, an understanding of cation allostery should enable the design of allosteric agents and enhance our understanding of GPCR regulation in the cellular milieu.« less

Mechanistic insights into allosteric regulation of the A 2A adenosine G protein-coupled receptor by physiological cations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ye, Libin; Neale, Chris Andrew; Sljoka, Adnan

Cations play key roles in regulating G-protein-coupled receptors (GPCRs), although their mechanisms are poorly understood. Here, 19F NMR is used to delineate the effects of cations on functional states of the adenosine A 2A GPCR. While Na + reinforces an inactive ensemble and a partial-agonist stabilized state, Ca 2+ and Mg 2+ shift the equilibrium toward active states. Positive allosteric effects of divalent cations are more pronounced with agonist and a G-protein-derived peptide. In cell membranes, divalent cations enhance both the affinity and fraction of the high affinity agonist-bound state. Molecular dynamics simulations suggest high concentrations of divalent cations bridgemore » specific extracellular acidic residues, bringing TM5 and TM6 together at the extracellular surface and allosterically driving open the G-protein-binding cleft as shown by rigidity-transmission allostery theory. Lastly, an understanding of cation allostery should enable the design of allosteric agents and enhance our understanding of GPCR regulation in the cellular milieu.« less

Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Le Trong, Isolde; University of Washington, Box 357742, Seattle, WA 98195-7742; Chu, Vano

2013-06-01

The crystal structures of two circularly permuted streptavidins probe the role of a flexible loop in the tight binding of biotin. Molecular-dynamics calculations for one of the mutants suggests that increased fluctuations in a hydrogen bond between the protein and biotin are associated with cleavage of the binding loop. Circular permutation of streptavidin was carried out in order to investigate the role of a main-chain amide in stabilizing the high-affinity complex of the protein and biotin. Mutant proteins CP49/48 and CP50/49 were constructed to place new N-termini at residues 49 and 50 in a flexible loop involved in stabilizing themore » biotin complex. Crystal structures of the two mutants show that half of each loop closes over the binding site, as observed in wild-type streptavidin, while the other half adopts the open conformation found in the unliganded state. The structures are consistent with kinetic and thermodynamic data and indicate that the loop plays a role in enthalpic stabilization of the bound state via the Asn49 amide–biotin hydrogen bond. In wild-type streptavidin, the entropic penalties of immobilizing a flexible portion of the protein to enhance binding are kept to a manageable level by using a contiguous loop of medium length (six residues) which is already constrained by its anchorage to strands of the β-barrel protein. A molecular-dynamics simulation for CP50/49 shows that cleavage of the binding loop results in increased structural fluctuations for Ser45 and that these fluctuations destabilize the streptavidin–biotin complex.« less

Revision surgery for posterior stabilized thoracolumbar fracture using mini-open anterior approach and expandable cage.

PubMed

Zhao, Jian; Schaser, Klaus-Dieter; Zhang, Feng

2010-05-01

To evaluate the surgical techniques and outcomes of revision surgery for compromised posterior stabilization or insufficient neurological decompression using anterior mini-open approach and expandable cage. From August 2005 to June 2008, a total of 235 patients were operated on in our center for thoracolumbar fractures with dorsal transpedicular stabilization. Twenty-six of these patients underwent revision surgery, the main reasons being back pain and stagnant neurological recovery. The surgical procedure comprised a single-level thoracolumbar corpectomy and/or canal clearance, followed by an expandable cage reconstruction. The average interval between primary and revision surgery was 5 months (range, 3-11 months). A transthoracic (n= 11) or transthoracic transdiaphragmatic (n= 15) mini-open approach was conducted using a table-mounted retractor. The operating time averaged 105 min (range, 95-135 min) for the transthoracic approach and 152 min (range, 120-190 min) for the transthoracic plus transdiaphragmatic approach. The overall mean blood loss was 780 ml (range, 550-1700 ml). Over time, the pre-operative neurological deficit improved in 6/7 patients by at least one Frankel/American Spinal Injury Association (ASIA) grade. On a visual analogue scale (VAS) from 0 to 10, the mean local thoracolumbar back pain was relieved significantly from 6.8 before operation to 3.8 at 3 months, 2.4 at 6 months, and 1.5 at 12 months postoperatively. None of the patients developed intercostal neuralgia or post-thoracotomy pain syndromes. For patients with compromised stabilization or insufficient neurological decompression after primary dorsal transpedicular stabilization for thoracolumbar fracture, anterior revision surgery can produce good results. The mini-open anterior approach for corpectomy in the thoracolumbar spine is safe, reliable, and economical. The expandable cage is an excellent alternative for anterior reconstruction. © 2010 Tianjin Hospital and Blackwell Publishing Asia Pty Ltd.

The new politics of missile proliferation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Karp, A.

1996-10-01

The author addresses the most consequential proliferation battle of the 1990s which occurred in Washington over the interpretation of the long-term threat to the United States from ballistic missiles. In the early 1970s, the stabilization of the US-Soviet strategic relationship led to new disputes over the other side`s future intentions, seen most graphically in Western debates over the implications of the Soviet SS-18 and SS-20 missile programs. Today, in much the same way, proliferation politics has matured to the point that surprises are few and the most challenging problem is anticipating the more distant future. Washington`s ballistic missile proliferation battlemore » was sparked by National Intelligence Estimate (NIE) 95-19, entitled {open_quotes}Emerging Threats to North America During the Next 15 Years,{close_quotes} released by the National Intelligence Council in November 1995. This document updated the evidence of regional missile programs reviewed in a similar report issued in 1993, and recapitulated the previous finding that {open_quotes}No country, other than the major declared nuclear powers, will develop or otherwise acquire a ballistic missile in the next 15 years that could threatened the contiguous 48 states or Canada.{close_quotes} The new report confirmed what several other studies of missile proliferation had already established: that besides the five nuclear-weapon states (the United States, Russia, China, France and Britain), only India, Israel and Japan are in a position to develop an ICBM during the foreseeable future, and while all have relevant capabilities, none are undertaking the steps necessary to develop an actual ICBM.« less

Bipartite discrimination of independently prepared quantum states as a counterexample to a parallel repetition conjecture

NASA Astrophysics Data System (ADS)

Akibue, Seiseki; Kato, Go

2018-04-01

For distinguishing quantum states sampled from a fixed ensemble, the gap in bipartite and single-party distinguishability can be interpreted as a nonlocality of the ensemble. In this paper, we consider bipartite state discrimination in a composite system consisting of N subsystems, where each subsystem is shared between two parties and the state of each subsystem is randomly sampled from a particular ensemble comprising the Bell states. We show that the success probability of perfectly identifying the state converges to 1 as N →∞ if the entropy of the probability distribution associated with the ensemble is less than 1, even if the success probability is less than 1 for any finite N . In other words, the nonlocality of the N -fold ensemble asymptotically disappears if the probability distribution associated with each ensemble is concentrated. Furthermore, we show that the disappearance of the nonlocality can be regarded as a remarkable counterexample of a fundamental open question in theoretical computer science, called a parallel repetition conjecture of interactive games with two classically communicating players. Measurements for the discrimination task include a projective measurement of one party represented by stabilizer states, which enable the other party to perfectly distinguish states that are sampled with high probability.

Mutations that stabilize the open state of the Erwinia chrisanthemi ligand-gated ion channel fail to change the conformation of the pore domain in crystals

PubMed Central

Gonzalez-Gutierrez, Giovanni; Lukk, Tiit; Agarwal, Vinayak; Papke, David; Nair, Satish K.; Grosman, Claudio

2012-01-01

The determination of structural models of the various stable states of an ion channel is a key step toward the characterization of its conformational dynamics. In the case of nicotinic-type receptors, different structures have been solved but, thus far, these different models have been obtained from different members of the superfamily. In the case of the bacterial member ELIC, a cysteamine-gated channel from Erwinia chrisanthemi, a structural model of the protein in the absence of activating ligand (and thus, conceivably corresponding to the closed state of this channel) has been previously generated. In this article, electrophysiological characterization of ELIC mutants allowed us to identify pore mutations that slow down the time course of desensitization to the extent that the channel seems not to desensitize at all for the duration of the agonist applications (>20 min). Thus, it seems reasonable to conclude that the probability of ELIC occupying the closed state is much lower for the ligand-bound mutants than for the unliganded wild-type channel. To gain insight into the conformation adopted by ELIC under these conditions, we solved the crystal structures of two of these mutants in the presence of a concentration of cysteamine that elicits an intracluster open probability of >0.9. Curiously, the obtained structural models turned out to be nearly indistinguishable from the model of the wild-type channel in the absence of bound agonist. Overall, our findings bring to light the limited power of functional studies in intact membranes when it comes to inferring the functional state of a channel in a crystal, at least in the case of the nicotinic-receptor superfamily. PMID:22474383

Self Exchange Bias and Bi-stable Magneto-Resistance States in Amorphous TbFeCo and TbSmFeCo Thin Films

NASA Astrophysics Data System (ADS)

Ma, Chung; Li, Xiaopu; Lu, Jiwei; Poon, Joseph; Comes, Ryan; Devaraj, Arun; Spurgeon, Steven

Amorphous ferrimagetic TbFeCo and TbSmFeCo thin films are found to exhibit strong perpendicular magnetic anisotropy. Self exchange bias effect and bi-stable magneto-resistance states are observed near compensation temperature by magnetic hysteresis loop, anomalous Hall effect and transverse magneto-resistance measurements. Atom probe tomography, scanning transmission electron microscopy, and energy dispersive spectroscopy mapping have revealed two nanoscale amorphous phases with different Tb concentration distributed within the amorphous films. The observed exchange anisotropy originates from the exchange interaction between the two nanoscale amorphous phases. Exchange bias effect is used for increasing stability in spin valves and magnetic tunneling junctions. This study opens up a new platform for using amorphous ferrimagnetic thin films that require no epitaxial growth in nanodevices.. The work was supported by the Defense Threat Reduction Agency Grant and the U.S. Department of Energy.

Conformational dimorphism of isochroman-1-ones in the solid state

NASA Astrophysics Data System (ADS)

Babjaková, Eva; Hanulíková, Barbora; Dastychová, Lenka; Kuřitka, Ivo; Nečas, Marek; Vícha, Robert

2014-12-01

Isochroman-1-one derivatives, which are relatives of coumarins, display a broad spectrum of biological activity; therefore, these derivatives attract the attention of chemists. A series of new isochroman-1-ones were prepared by the reaction of benzyl-derived Grignard reagents with acyl chlorides. All of the prepared compounds were characterized using single-crystal X-ray diffraction as well as FT-IR, NMR and MS techniques. Single crystal X-ray diffraction analysis revealed that the isochromanones can adopt two distinct conformations in the solid state. For one of the compounds, two polymorphs with unique forms crystallized separately under different temperatures. The packing of all of the examined crystals is stabilized via weak intramolecular C-H⋯π and/or C-H⋯O interactions. Although the closed conformer was predominantly found in the actual crystals, the open conformer is thermochemically more stable for all of the examined compounds according to DFT calculations.

Mechanism by which Untwisting of Retinal Leads to Productive Bacteriorhodopsin Photocycle States

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolter, Tino; Elstner, Marcus; Fischer, Stefan

2014-01-01

Relaxation of the twisted-retinal photoproduct state triggers proton-coupled reaction cycle in retinal proteins. A key open question is whether the retinal relaxation path is governed by the intrinsic torsional properties of the retinal or rather by the interactions of the retinal with protein and water groups, given the crowded protein environments in which the retinal resides. We address this question by performing systematic quantum mechanical/molecular mechanical molecular dynamics computations of retinal dynamics in bacteriorhodopsin at different temperatures, reaction path computations, and assessment of the vibrational fingerprints of the retinal molecule. Our results demonstrate a complex dependence of the retinal dynamicsmore » and preferred geometry on temperature. As the temperature increases, the retinal dihedral angle samples values largely determined by its internal conformational energy. The protein environment shapes the energetics of retinal relaxation and provides hydrogen-bonding partners that stabilize the retinal geometry.« less

A nonconjugated radical polymer glass with high electrical conductivity

NASA Astrophysics Data System (ADS)

Joo, Yongho; Agarkar, Varad; Sung, Seung Hyun; Savoie, Brett M.; Boudouris, Bryan W.

2018-03-01

Solid-state conducting polymers usually have highly conjugated macromolecular backbones and require intentional doping in order to achieve high electrical conductivities. Conversely, single-component, charge-neutral macromolecules could be synthetically simpler and have improved processibility and ambient stability. We show that poly(4-glycidyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl), a nonconjugated radical polymer with a subambient glass transition temperature, underwent rapid solid-state charge transfer reactions and had an electrical conductivity of up to 28 siemens per meter over channel lengths up to 0.6 micrometers. The charge transport through the radical polymer film was enabled with thermal annealing at 80°C, which allowed for the formation of a percolating network of open-shell sites in electronic communication with one another. The electrical conductivity was not enhanced by intentional doping, and thin films of this material showed high optical transparency.

A Runway Surface Monitor using Internet of Things

NASA Astrophysics Data System (ADS)

Troiano, Amedeo; Pasero, Eros

2014-05-01

The monitoring of runway surfaces, for the detection of ice formation or presence of water, is an important issue for reducing maintenance costs and improving traffic safety. An innovative sensor was developed to detect the presence of ice or water on its surface, and its repeatability, stability and reliability were assessed in different simulations and experiments, performed both in laboratory and in the field. Three sensors were embedded in the runway of the Turin-Caselle airport, in the north-west of Italy, to check the state of its surface. Each sensor was connected to a GPRS modem to send the collected data to a common database. The entire system was installed about three years ago, and up to now it shows correct work and automatic reactivation after malfunctions without any external help. The state of the runway surface is virtual represented in an internet website, using the Internet of Things features and opening new scenarios.

Energetics of subdomain movements and fluorescence probe solvation environment change in ATP-bound myosin.

PubMed

Harris, Michael J; Woo, Hyung-June

2008-11-01

Energetics of conformational changes experienced by an ATP-bound myosin head detached from actin was studied by all-atom explicit water umbrella sampling simulations. The statistics of coupling between large scale domain movements and smaller scale structural features were examined, including the closing of the ATP binding pocket, and a number of key hydrogen bond formations shown to play roles in structural and biochemical studies. The statistics for the ATP binding pocket open/close transition show an evolution of the relative stability from the open state in the early stages of the recovery stroke to the stable closed state after the stroke. The change in solvation environment of the fluorescence probe Trp507 (scallop numbering; 501 in Dictyostelium discoideum) indicates that the probe faithfully reflects the closing of the binding pocket as previously shown in experimental studies, while being directly coupled to roughly the early half of the overall large scale conformational change of the converter domain rotation. The free energy change of this solvation environment change, in particular, is -1.3 kcal/mol, in close agreement with experimental estimates. In addition, our results provide direct molecular level data allowing for interpretations of the fluorescence experiments of myosin conformational change in terms of the de-solvation of Trp side chain.

Closed-loop thrust and pressure profile throttling of a nitrous oxide/hydroxyl-terminated polybutadiene hybrid rocket motor

NASA Astrophysics Data System (ADS)

Peterson, Zachary W.

Hybrid motors that employ non-toxic, non-explosive components with a liquid oxidizer and a solid hydrocarbon fuel grain have inherently safe operating characteristics. The inherent safety of hybrid rocket motors offers the potential to greatly reduce overall operating costs. Another key advantage of hybrid rocket motors is the potential for in-flight shutdown, restart, and throttle by controlling the pressure drop between the oxidizer tank and the injector. This research designed, developed, and ground tested a closed-loop throttle controller for a hybrid rocket motor using nitrous oxide and hydroxyl-terminated polybutadiene as propellants. The research simultaneously developed closed-loop throttle algorithms and lab scale motor hardware to evaluate the fidelity of the throttle simulations and algorithms. Initial open-loop motor tests were performed to better classify system parameters and to validate motor performance values. Deep-throttle open-loop tests evaluated limits of stable thrust that can be achieved on the test hardware. Open-loop tests demonstrated the ability to throttle the motor to less than 10% of maximum thrust with little reduction in effective specific impulse and acoustical stability. Following the open-loop development, closed-loop, hardware-in-the-loop tests were performed. The closed-loop controller successfully tracked prescribed step and ramp command profiles with a high degree of fidelity. Steady-state accuracy was greatly improved over uncontrolled thrust.

Modeling of in-use stability for tablets and powders in bottles.

PubMed

Waterman, Kenneth C; Chen, Lili; Waterman, Philip; MacDonald, Bruce C; Monahan, Andrew P; Scrivens, Garry

2016-10-01

A model is presented for determining the time when an active pharmaceutical ingredient in tablets/powders will remain within its specification limits during an in-use period; that is, when a heat-induction sealed bottle is opened for fixed time periods and where tablets are removed at fixed time points. This model combines the Accelerated Stability Assessment Program to determine the impact on degradation rates of relative humidity (RH) with calculations of the RH as a function of time for the dosage forms under in-use conditions. These calculations, in a conservative approach, assume that the air inside bottles with broached heat-induction seals completely exchanges with the external environment during periods when the bottle remains open. The solid dosages are assumed to sorb water at estimable rates during these openings. When bottles are capped, the moisture vapor transmission rate can be estimated to determine the changing RH inside the bottles between opening events. The impact of silica gel desiccants can also be included in the modeling.

Plant community development after 28 years in small group-selection openings

Treesearch

Philip M. McDonald; Phillip E. Reynolds

1999-01-01

Thirty openings, 9, 18, and 27 meters in diameter, were created by group-selection harvest on a high quality site in northern California in 1963. In 1991, or 28 years after site preparation, the plant community in the openings had stabilized at 55 species. A major shift was from annuals to perennials. New seedlings of ponderosa and sugar pine were able to become...

Moving beyond Watson-Crick models of coarse grained DNA dynamics.

PubMed

Linak, Margaret C; Tourdot, Richard; Dorfman, Kevin D

2011-11-28

DNA produces a wide range of structures in addition to the canonical B-form of double-stranded DNA. Some of these structures are stabilized by Hoogsteen bonds. We developed an experimentally parameterized, coarse-grained model that incorporates such bonds. The model reproduces many of the microscopic features of double-stranded DNA and captures the experimental melting curves for a number of short DNA hairpins, even when the open state forms complicated secondary structures. We demonstrate the utility of the model by simulating the folding of a thrombin aptamer, which contains G-quartets, and strand invasion during triplex formation. Our results highlight the importance of including Hoogsteen bonding in coarse-grained models of DNA.

Stable-unstable transition for a Bose-Hubbard chain coupled to an environment

NASA Astrophysics Data System (ADS)

Guo, Chu; de Vega, Ines; Schollwöck, Ulrich; Poletti, Dario

2018-05-01

Interactions in quantum systems may induce transitions to exotic correlated phases of matter which can be vulnerable to coupling to an environment. Here, we study the stability of a Bose-Hubbard chain coupled to a bosonic bath at zero and nonzero temperature. We show that only above a critical interaction the chain loses bosons and its properties are significantly affected. The transition is of a different nature than the superfluid-Mott-insulator transition and occurs at a different critical interaction. We explain such a stable-unstable transition by the opening of a global charge gap. The comparison of accurate matrix product state simulations to approximative approaches that miss this transition reveals its many-body origin.

Intraoperative CT in the assessment of posterior wall acetabular fracture stability.

PubMed

Cunningham, Brian; Jackson, Kelly; Ortega, Gil

2014-04-01

Posterior wall acetabular fractures that involve 10% to 40% of the posterior wall may or may not require an open reduction and internal fixation. Dynamic stress examination of the acetabular fracture under fluoroscopy has been used as an intraoperative method to assess joint stability. The aim of this study was to demonstrate the value of intraoperative ISO computed tomography (CT) examination using the Siemens ISO-C imaging system (Siemens Corp, Malvern, Pennsylvania) in the assessment of posterior wall acetabular fracture stability during stress examination under anesthesia. In 5 posterior wall acetabular fractures, standard fluoroscopic images (including anteroposterior pelvis and Judet radiographs) with dynamic stress examinations were compared with the ISO-C CT imaging system to assess posterior wall fracture stability during stress examination. After review of standard intraoperative fluoroscopic images under dynamic stress examination, all 5 cases appeared to demonstrate posterior wall stability; however, when the intraoperative images from the ISO-C CT imaging system demonstrated that 1 case showed fracture instability of the posterior wall segment during stress examination, open reduction and internal fixation was performed. The use of intraoperative ISO CT imaging has shown an initial improvement in the surgeon's ability to assess the intraoperative stability of posterior wall acetabular fractures during stress examination when compared with standard fluoroscopic images. Copyright 2014, SLACK Incorporated.

Guidance on the State Fiscal Stabilization Fund Program

ERIC Educational Resources Information Center

US Department of Education, 2009

2009-01-01

The State Fiscal Stabilization Fund Program is a new, one-time appropriation of approximately $48.6 billion that the U.S. Department of Education will award to Governors to help stabilize State and local budgets in order to minimize and avoid reductions in education and other essential services, in exchange for a State's commitment to advance …

Open Reduction With K-Wire Stabilization of Fracture Dislocations of the Mandibular Condyle: A Retrospective Review.

PubMed

Haghighi, Kayvon; Manolakakis, Manolis G; Balog, Connor

2017-06-01

The aim of this study was to determine the feasibility of direct transcortical stabilization of fracture dislocations of the mandibular condyle (FDMCs) using narrow-diameter non-threaded Kirschner wire (K-wire). This retrospective review reports on the treatment outcomes for 12 patients (15 fractures) with FDMCs treated with open reduction using transcortical 0.027-inch K-wire stabilization. Postoperative parameters of relevance included infection, facial nerve function, hardware removal, mandibular range of motion, and radiographic determination of fracture union. Three patients had bilateral FDMCs and 9 had unilateral FDMCs (age range at time of injury, 14 to 72 yr; mean age, 32 yr). Postoperative follow-up ranged from 6 weeks to 2 years. Four patients required removal of K-wire hardware for different reasons. K-wires were removed because of infection in 1 patient. Another patient required removal because of migration of the pin into the joint space. One pin was removed electively and another was removed for nonspecific postoperative symptoms that resolved after pin removal. Persistent facial nerve deficit was observed in 1 patient. Open reduction with transcortical K-wire stabilization can achieve satisfactory outcomes for the treatment of FDMC. Further investigation is needed in determining the efficacy of this fixation technique in the management of FDMC. Copyright © 2017 American Association of Oral and Maxillofacial Surgeons. Published by Elsevier Inc. All rights reserved.

Solid state carbon nanotube device for controllable trion electroluminescence emission

NASA Astrophysics Data System (ADS)

Liang, Shuang; Ma, Ze; Wei, Nan; Liu, Huaping; Wang, Sheng; Peng, Lian-Mao

2016-03-01

Semiconducting carbon nanotubes (CNTs) have a direct chirality-dependent bandgap and reduced dimensionality-related quantum confinement effects, which are closely related to the performance of optoelectronic devices. Here, taking advantage of the large energy separations between neutral singlet excitons and charged excitons, i.e. trions in CNTs, we have achieved for the first time all trion electroluminescence (EL) emission from chirality-sorted (8,3) and (8,4) CNT-based solid state devices. We showed that strong trion emission can be obtained as a result of localized impact excitation and electrically injected holes, with an estimated efficiency of ~5 × 10-4 photons per injected hole. The importance of contact-controlled carrier injection (including symmetric and asymmetric contact configurations) and EL spectral stability for gradually increasing bias were also investigated. The realization of electrically induced pure trion emission opens up a new opportunity for CNT film-based optoelectronic devices, providing a new degree of freedom in controlling the devices to extend potential applications in spin or magnetic optoelectronics fields.Semiconducting carbon nanotubes (CNTs) have a direct chirality-dependent bandgap and reduced dimensionality-related quantum confinement effects, which are closely related to the performance of optoelectronic devices. Here, taking advantage of the large energy separations between neutral singlet excitons and charged excitons, i.e. trions in CNTs, we have achieved for the first time all trion electroluminescence (EL) emission from chirality-sorted (8,3) and (8,4) CNT-based solid state devices. We showed that strong trion emission can be obtained as a result of localized impact excitation and electrically injected holes, with an estimated efficiency of ~5 × 10-4 photons per injected hole. The importance of contact-controlled carrier injection (including symmetric and asymmetric contact configurations) and EL spectral stability for gradually increasing bias were also investigated. The realization of electrically induced pure trion emission opens up a new opportunity for CNT film-based optoelectronic devices, providing a new degree of freedom in controlling the devices to extend potential applications in spin or magnetic optoelectronics fields. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07468a

The polar T1 interface is linked to conformational changes that open the voltage-gated potassium channel.

PubMed

Minor, D L; Lin, Y F; Mobley, B C; Avelar, A; Jan, Y N; Jan, L Y; Berger, J M

2000-09-01

Kv voltage-gated potassium channels share a cytoplasmic assembly domain, T1. Recent mutagenesis of two T1 C-terminal loop residues implicates T1 in channel gating. However, structural alterations of these mutants leave open the question concerning direct involvement of T1 in gating. We find in mammalian Kv1.2 that gating depends critically on residues at complementary T1 surfaces in an unusually polar interface. An isosteric mutation in this interface causes surprisingly little structural alteration while stabilizing the closed channel and increasing the stability of T1 tetramers. Replacing T1 with a tetrameric coiled-coil destabilizes the closed channel. Together, these data suggest that structural changes involving the buried polar T1 surfaces play a key role in the conformational changes leading to channel opening.

33 CFR 157.21 - Subdivision and stability.

Code of Federal Regulations, 2014 CFR

2014-07-01

.... vessel must meet the following subdivision and damage stability criteria after assuming side and bottom damages, as defined in appendix B of this part. A U.S. vessel that meets the requirements in this section... account sinkage, heel, and trim, must be below the lower edge of an opening through which progressive...

33 CFR 157.21 - Subdivision and stability.

Code of Federal Regulations, 2012 CFR

2012-07-01

.... vessel must meet the following subdivision and damage stability criteria after assuming side and bottom damages, as defined in appendix B of this part. A U.S. vessel that meets the requirements in this section... account sinkage, heel, and trim, must be below the lower edge of an opening through which progressive...

33 CFR 157.21 - Subdivision and stability.

Code of Federal Regulations, 2013 CFR

2013-07-01

.... vessel must meet the following subdivision and damage stability criteria after assuming side and bottom damages, as defined in appendix B of this part. A U.S. vessel that meets the requirements in this section... account sinkage, heel, and trim, must be below the lower edge of an opening through which progressive...

Voltage-Gated Channel Mechanosensitivity: Fact or Friction?

PubMed Central

Morris, Catherine E.

2011-01-01

The heart is a continually active pulsatile fluid pump. It generates appropriate forces by precisely timed and spaced engagement of its contractile machinery. Largely, it makes its own control signals, the most crucial of which are precisely timed and spaced fluxes of ions across the sarcolemma, achieved by the timely opening and closing of diverse voltage-gated channels (VGC). VGCs have four voltage sensors around a central ion-selective pore that opens and closes under the influence of membrane voltage. Operation of any VGC is secondarily tuned by the mechanical state (i.e., structure) of the bilayer in which it is embedded. Rates of opening and closing, in other words, vary with bilayer structure. Thus, in the intensely mechanical environment of the myocardium and its vasculature, VGCs kinetics might be routinely modulated by reversible and irreversible nano-scale changes in bilayer structure. If subtle bilayer deformations are routine in the pumping heart, VGCs could be subtly transducing bilayer mechanical signals, thereby tuning cardiac rhythmicity, collectively contributing to mechano-electric feedback. Reversible bilayer deformations would be expected with changing shear flows and tissue distension, while irreversible bilayer restructuring occurs with ischemia, inflammation, membrane remodeling, etc. I suggest that tools now available could be deployed to help probe whether/how the inherent mechanosensitivity of VGCs – an attribute substantially reflecting the dependence of voltage sensor stability on bilayer structure – contributes to cardiac rhythmicity. Chief among these tools are voltage sensor toxins (whose inhibitory efficacy varies with the mechanical state of bilayer) and arrhythmia-inducing VGC mutants with distinctive mechano-phenotypes. PMID:21660289

Nonequilibrium optical control of dynamical states in superconducting nanowire circuits.

PubMed

Madan, Ivan; Buh, Jože; Baranov, Vladimir V; Kabanov, Viktor V; Mrzel, Aleš; Mihailovic, Dragan

2018-03-01

Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system's properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ 3 -MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing.

Nonequilibrium optical control of dynamical states in superconducting nanowire circuits

PubMed Central

Madan, Ivan; Baranov, Vladimir V.

2018-01-01

Optical control of states exhibiting macroscopic phase coherence in condensed matter systems opens intriguing possibilities for materials and device engineering, including optically controlled qubits and photoinduced superconductivity. Metastable states, which in bulk materials are often associated with the formation of topological defects, are of more practical interest. Scaling to nanosize leads to reduced dimensionality, fundamentally changing the system’s properties. In one-dimensional superconducting nanowires, vortices that are present in three-dimensional systems are replaced by fluctuating topological defects of the phase. These drastically change the dynamical behavior of the superconductor and introduce dynamical periodic long-range ordered states when the current is driven through the wire. We report the control and manipulation of transitions between different dynamically stable states in superconducting δ3-MoN nanowire circuits by ultrashort laser pulses. Not only can the transitions between different dynamically stable states be precisely controlled by light, but we also discovered new photoinduced hidden states that cannot be reached under near-equilibrium conditions, created while laser photoexcited quasi-particles are outside the equilibrium condition. The observed switching behavior can be understood in terms of dynamical stabilization of various spatiotemporal periodic trajectories of the order parameter in the superconductor nanowire, providing means for the optical control of the superconducting phase with subpicosecond control of timing. PMID:29670935

Quantum resource theory of non-stabilizer states in the one-shot regime

NASA Astrophysics Data System (ADS)

Ahmadi, Mehdi; Dang, Hoan; Gour, Gilad; Sanders, Barry

Universal quantum computing is known to be impossible using only stabilizer states and stabilizer operations. However, addition of non-stabilizer states (also known as magic states) to quantum circuits enables us to achieve universality. The resource theory of non-stablizer states aims at quantifying the usefulness of non-stabilizer states. Here, we focus on a fundamental question in this resource theory in the so called single-shot regime: Given two resource states, is there a free quantum channel that will (approximately or exactly) convert one to the other?. To provide an answer, we phrase the question as a semidefinite program with constraints on the Choi matrix of the corresponding channel. Then, we use the semidefinite version of the Farkas lemma to derive the necessary and sufficient conditions for the conversion between two arbitrary resource states via a free quantum channel. BCS appreciates financial support from Alberta Innovates, NSERC, China's 1000 Talent Plan and the Institute for Quantum Information and Matter.

Marine boundary layer cloud regimes and POC formation in an LES coupled to a bulk aerosol scheme

NASA Astrophysics Data System (ADS)

Berner, A. H.; Bretherton, C. S.; Wood, R.; Muhlbauer, A.

2013-07-01

A large-eddy simulation (LES) coupled to a new bulk aerosol scheme is used to study long-lived regimes of aerosol-boundary layer cloud-precipitation interaction and the development of pockets of open cells (POCs) in subtropical stratocumulus cloud layers. The aerosol scheme prognoses mass and number concentration of a single log-normal accumulation mode with surface and entrainment sources, evolving subject to processing of activated aerosol and scavenging of dry aerosol by cloud and rain. The LES with the aerosol scheme is applied to a range of steadily-forced simulations idealized from a well-observed POC case. The long-term system evolution is explored with extended two-dimensional simulations of up to 20 days, mostly with diurnally-averaged insolation. One three-dimensional two-day simulation confirms the initial development of the corresponding two-dimensional case. With weak mean subsidence, an initially aerosol-rich mixed layer deepens, the capping stratocumulus cloud slowly thickens and increasingly depletes aerosol via precipitation accretion, then the boundary layer transitions within a few hours into an open-cell regime with scattered precipitating cumuli, in which entrainment is much weaker. The inversion slowly collapses for several days until the cumulus clouds are too shallow to efficiently precipitate. Inversion cloud then reforms and radiatively drives renewed entrainment, allowing the boundary layer to deepen and become more aerosol-rich, until the stratocumulus layer thickens enough to undergo another cycle of open-cell formation. If mean subsidence is stronger, the stratocumulus never thickens enough to initiate drizzle and settles into a steady state. With lower initial aerosol concentrations, this system quickly transitions into open cells, collapses, and redevelops into a different steady state with a shallow, optically thin cloud layer. In these steady states, interstitial scavenging by cloud droplets is the main sink of aerosol number. The system is described in a reduced two-dimensional phase plane with inversion height and boundary-layer average aerosol concentrations as the state variables. Simulations with a full diurnal cycle show similar evolutions, except that open-cell formation is phase-locked into the early morning hours. The same steadily-forced modeling framework is applied to the development and evolution of a POC and the surrounding overcast boundary layer. An initial aerosol perturbation applied to a portion of the model domain leads that portion to transition into open-cell convection, forming a POC. Reduced entrainment in the POC induces a negative feedback between areal fraction covered by the POC and boundary layer depth changes. This stabilizes the system by controlling liquid water path and precipitation sinks of aerosol number in the overcast region, while also preventing boundary-layer collapse within the POC, allowing the POC and overcast to coexist indefinitely in a quasi-steady equilibrium.

Is Xi Jinping a Reformer Similar to Deng Xiaoping

DTIC Science & Technology

2017-06-09

core focus from ideology to economic development by announcing his policy of reform and opening up in 1978. His pragmatic policies resulted in...political stability, ideological openness, and sparked over thirty years of rapid economic growth. After 30 years since reform and opening up, China has...his commitment to rebalancing China’s economy. Despite the lack of significant progress on economic reforms, this paper finds that Xi is a reformer

Mittag-Leffler synchronization of fractional neural networks with time-varying delays and reaction-diffusion terms using impulsive and linear controllers.

PubMed

Stamova, Ivanka; Stamov, Gani

2017-12-01

In this paper, we propose a fractional-order neural network system with time-varying delays and reaction-diffusion terms. We first develop a new Mittag-Leffler synchronization strategy for the controlled nodes via impulsive controllers. Using the fractional Lyapunov method sufficient conditions are given. We also study the global Mittag-Leffler synchronization of two identical fractional impulsive reaction-diffusion neural networks using linear controllers, which was an open problem even for integer-order models. Since the Mittag-Leffler stability notion is a generalization of the exponential stability concept for fractional-order systems, our results extend and improve the exponential impulsive control theory of neural network system with time-varying delays and reaction-diffusion terms to the fractional-order case. The fractional-order derivatives allow us to model the long-term memory in the neural networks, and thus the present research provides with a conceptually straightforward mathematical representation of rather complex processes. Illustrative examples are presented to show the validity of the obtained results. We show that by means of appropriate impulsive controllers we can realize the stability goal and to control the qualitative behavior of the states. An image encryption scheme is extended using fractional derivatives. Copyright © 2017 Elsevier Ltd. All rights reserved.

Generalized Stability Analysis of Capillary Flow in Slender V-Grooves

NASA Astrophysics Data System (ADS)

White, Nicholas; Troian, Sandra

2017-11-01

Spontaneous capillary flow, an especially rapid process in slender open microchannels resembling V-grooves, is of significant importance to many applications requiring passive robust flow control. Many types of biomedical devices for point-of-care use in developing countries are being designed around this principle. Important fundamental work by Romero and Yost (1996) and Weislogel (1996) elucidated the behavior of Newtonian films in slender V-grooves driven to flow by the streamwise change in capillary pressure due to the change in radius of curvature of the circular arc describing the interface of wetting or non-wetting fluids. Self-similar solutions describing Washburn type dynamics were found but other solutions are possible. Here we extend the Romero and Yost model to include a variety of inlet and outlet boundary conditions and examine the transient growth and generalized stability of perturbations to steady state and self-similar flows. Although most cases examined for wetting fluids exhibit robust stability against small perturbations, some exceptions reveal unstable flow. In total, these results support decades of experimental work which has found this method of flow control to be especially reliable, robust and self-healing. The authors gratefully acknowledge financial support from the 2016 NASA/Jet Propulsion Laboratory President's and Director's Fund as well as a 2017 NASA Space Technology Research Fellowship.

Ligament-induced sacral fractures of the pelvis are possible.

PubMed

Steinke, Hanno; Hammer, Niels; Lingslebe, Uwe; Höch, Andreas; Klink, Thomas; Böhme, Jörg

2014-07-01

Pelvic ring stability is maintained passively by both the osseous and the ligamentous apparatus. Therapeutic approaches focus mainly on fracture patterns, so ligaments are often neglected. When they rupture along with the bone after pelvic ring fractures, disrupting stability, ligaments need to be considered during reconstruction and rehabilitation. Our aim was to determine the influence of ligaments on open-book injury using two experimental models with body donors. Mechanisms of bone avulsion related to open-book injury were investigated. Open-book injuries were induced in human pelves and subsequently investigated by anatomical dissection and endoscopy. The findings were compared to CT and MRI scans of open-book injuries. Relevant structures were further analyzed using plastinated cross-sections of the posterior pelvic ring. A fragment of the distal sacrum was observed, related to open-book injury. Two ligaments were found to be responsible for this avulsion phenomenon: the caudal portion of the anterior sacroiliac ligament and another ligament running along the ventral surface of the third sacral vertebra. The sacral fragment remained attached to the coxal bone by this second ligament after open-book injury. These results were validated using plastination and the structures were identified. Pelvic ligaments are probably involved in sacral avulsion caused by lateral traction. Therefore, ligaments should to be taken into account in diagnosis of open-book injury and subsequent therapy. Copyright © 2014 Wiley Periodicals, Inc.

Surface controlled blade stabilizer

DOEpatents

Russell, Larry R.

1983-01-01

Drill string stabilizer apparatus, controllable to expand and retract entirely from the surface by control of drill string pressure, wherein increase of drill string pressure from the surface closes a valve to create a piston means which is moved down by drill string pressure to expand the stabilizer blades, said valve being opened and the piston moving upward upon reduction of drill string pressure to retract the stabilizer blades. Upward and downward movements of the piston and an actuator sleeve therebelow are controlled by a barrel cam acting between the housing and the actuator sleeve.

All-inside, anatomical lateral ankle stabilization for revision and complex primary lateral ankle stabilization: a technique guide.

PubMed

Prissel, Mark A; Roukis, Thomas S

2014-12-01

Lateral ankle instability is a common mechanical problem that often requires surgical management when conservative efforts fail. Historically, myriad open surgical approaches have been proposed. Recently, consideration for arthroscopic management of lateral ankle instability has become popular, with promising results. Unfortunately, recurrent inversion ankle injury following lateral ankle stabilization can occur and require revision surgery. To date, arthroscopic management for revision lateral ankle stabilization has not been described. We present a novel arthroscopic technique combining an arthroscopic lateral ankle stabilization kit with a suture anchor ligament augmentation system for revision as well as complex primary lateral ankle stabilization. © 2014 The Author(s).

A MULTIPLE GRID APPROACH FOR OPEN CHANNEL FLOWS WITH STRONG SHOCKS. (R825200)

EPA Science Inventory

Abstract

Explicit finite difference schemes are being widely used for modeling open channel flows accompanied with shocks. A characteristic feature of explicit schemes is the small time step, which is limited by the CFL stability condition. To overcome this limitation,...

A MULTIPLE GRID ALGORITHM FOR ONE-DIMENSIONAL TRANSIENT OPEN CHANNEL FLOWS. (R825200)

EPA Science Inventory

Numerical modeling of open channel flows with shocks using explicit finite difference schemes is constrained by the choice of time step, which is limited by the CFL stability criteria. To overcome this limitation, in this work we introduce the application of a multiple grid al...

Arthroscopic Management of Anterior, Posterior, and Multidirectional Shoulder Instabilities.

PubMed

Field, Larry D; Ryu, Richard K N; Abrams, Jeffrey S; Provencher, Matthew

2016-01-01

Arthroscopic shoulder stabilization offers several potential advantages compared with open surgery, including the opportunity to more accurately evaluate the glenohumeral joint at the time of diagnostic assessment; comprehensively address multiple pathologic lesions that may be identified; and avoid potential complications unique to open stabilization, such as postoperative subscapularis failure. A thorough understanding of normal shoulder anatomy and biomechanics, along with the pathoanatomy responsible for anterior, posterior, and multidirectional shoulder instability patterns, is very important in the management of patients who have shoulder instability. The treating physician also must be familiar with diagnostic imaging and physical examination maneuvers that are required to accurately diagnose shoulder instability.

Convective stability of a plasma in a system of coupled adiabatic open cells in the Kruskal-Oberman model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Arsenin, V. V.; Terekhin, P. N.

2010-08-15

The Kruskal-Oberman kinetic model is used to determine the conditions for the convective stability of a plasma in a system of coupled axisymmetric adiabatic open cells in which the magnetic field curvature has opposite signs. For a combination of a nonparaxial simple mirror cell and a semicusp, the boundaries of the interval of values of the flux coordinate where the plasma can be stable are determined, as well as the range in which the ratio of the pressures in the component cells should lie. Numerical simulations were carried out for different particle distributions over the pitch angle.

Formulation and Stabilization of Concentrated Edible Oil-in-Water Emulsions Based on Electrostatic Complexes of a Food-Grade Cationic Surfactant (Ethyl Lauroyl Arginate) and Cellulose Nanocrystals.

PubMed

Bai, Long; Xiang, Wenchao; Huan, Siqi; Rojas, Orlando J

2018-05-14

We report on high-internal-phase, oil-in-water Pickering emulsions that are stable against coalescence during storage. Viscous, edible oil (sunflower) was emulsified by combining naturally derived cellulose nanocrystals (CNCs) and a food-grade, biobased cationic surfactant obtained from lauric acid and L-arginine (ethyl lauroyl arginate, LAE). The interactions between CNC and LAE were elucidated by isothermal titration calorimetry (ITC) and supplementary techniques. LAE adsorption on CNC surfaces and its effect on nanoparticle electrostatic stabilization, aggregation state, and emulsifying ability was studied and related to the properties of resultant oil-in-water emulsions. Pickering systems with tunable droplet diameter and stability against oil coalescence during long-term storage were controllably achieved depending on LAE loading. The underlying stabilization mechanism was found to depend on the type of complex formed, the LAE structures adsorbed on the cellulose nanoparticles (as unimer or as adsorbed admicelles), the presence of free LAE in the aqueous phase, and the equivalent alkane number of the oil phase (sunflower and dodecane oils were compared). The results extend the potential of CNC in the formulation of high-quality and edible Pickering emulsions. The functional properties imparted by LAE, a highly effective molecule against food pathogens and spoilage organisms, open new opportunities in food, cosmetics, and pharmaceutical applications, where the presence of CNC plays a critical role in achieving synergistic effects with LAE.

Cooperative Allosteric Ligand Binding in Calmodulin

NASA Astrophysics Data System (ADS)

Nandigrami, Prithviraj

Conformational dynamics is often essential for a protein's function. For example, proteins are able to communicate the effect of binding at one site to a distal region of the molecule through changes in its conformational dynamics. This so called allosteric coupling fine tunes the sensitivity of ligand binding to changes in concentration. A conformational change between a "closed" (apo) and an "open" (holo) conformation upon ligation often produces this coupling between binding sites. Enhanced sensitivity between the unbound and bound ensembles leads to a sharper binding curve. There are two basic conceptual frameworks that guide our visualization about ligand binding mechanisms. First, a ligand can stabilize the unstable "open" state from a dynamic ensemble of conformations within the unbound basin. This binding mechanism is called conformational selection. Second, a ligand can weakly bind to the low-affinity "closed" state followed by a conformational transition to the "open" state. In this dissertation, I focus on molecular dynamics simulations to understand microscopic origins of ligand binding cooperativity. A minimal model of allosteric binding transitions must include ligand binding/unbinding events, while capturing the transition mechanism between two distinct meta-stable free energy basins. Due in part to computational timescales limitations, work in this dissertation describes large-scale conformational transitions through a simplified, coarse-grained model based on the energy basins defined by the open and closed conformations of the protein Calmodulin (CaM). CaM is a ubiquitous calcium-binding protein consisting of two structurally similar globular domains connected by a flexible linker. The two domains of CaM, N-terminal domain (nCaM) and C-terminal domain (cCaM) consists of two helix-loop-helix motifs (the EF-hands) connected by a flexible linker. Each domain of CaM consists of two binding loops and binds 2 calcium ions each. The intact domain binds up to 4 calcium ions. The simulations use a coupled molecular dynamics/monte carlo scheme where the protein dynamics is simulated explicitly, while ligand binding/unbinding are treated implicitly. In the model, ligand binding/unbinding events coupled with a conformational change of the protein within the grand canonical ensemble. Here, ligand concentration is controlled through the chemical potential (micro). This allows us to use a simple thermodynamic model to analyze the simulated data and quantify binding cooperativity. Simulated binding titration curves are calculated through equilibrium simulations at different values of micro. First, I study domain opening transitions of isolated nCaM and cCaM in the absence of calcium. This work is motivated by results from a recent analytic variational model that predicts distinct domain opening transition mechanism for the domains of CaM. This is a surprising result because the domains have the same folded state topology. In the simulations, I find the two domains of CaM have distinct transition mechanism over a broad range of temperature, in harmony with the analytic predictions. In particular, the simulated transition mechanism of nCaM follows a two-state behavior, while domain opening in cCaM involves global unfolding and refolding of the tertiary structure. The unfolded intermediate also appears in the landscape of nCaM, but at a higher temperature than it appears in cCaM's energy landscape. This is consistent with nCaM's higher thermal stability. Under approximate physiological conditions, majority of the sampled transitions in cCaM involves unfolding and refolding during conformational change. Kinetically, the transient unfolding and refolding in cCaM significantly slows the domain opening and closing rates in cCaM. Second, I investigate the structural origins of binding affinity and allosteric cooperativity of binding 2 calcium-ions to each domain of CaM. In my work, I predict the order of binding strength of CaM's loops. I analyze simulated binding curves within the framework of the classic Monod-Wyman-Changeux (MWC) model of allostery to extract the binding free energies to the closed and open ensembles. The simulations predict that cCaM binds calcium with higher affinity and greater cooperativity than nCaM. Where it is possible to compare, these predictions are in good agreement with experimental results. The analysis of the simulations offers a rationale for why the two domains differ in cooperativity: the higher cooperativity of cCaM is due to larger difference in affinity of its binding loops. Third, I extend the work to investigate structural origins of binding cooperativity of 4 calcium-ions to intact CaM. I characterize the microscopic cooperativities of each ligation state and provide a kinetic description of the binding mechanism. Due to the heterogeneous nature of CaM's loops, as predicted in our simulations of isolated domains, I focus on investigating the influence of this heterogeneity on the kinetic flux of binding pathways as a function of concentration. The formalism developed for Network Models of protein folding kinetics, is used to evaluate the directed flux of all possible pathways between unligated and fully loaded CaM. (Abstract shortened by ProQuest.).

A complete characterization of all-versus-nothing arguments for stabilizer states.

PubMed

Abramsky, Samson; Barbosa, Rui Soares; Carù, Giovanni; Perdrix, Simon

2017-11-13

An important class of contextuality arguments in quantum foundations are the all-versus-nothing (AvN) proofs, generalizing a construction originally due to Mermin. We present a general formulation of AvN arguments and a complete characterization of all such arguments that arise from stabilizer states. We show that every AvN argument for an n -qubit stabilizer state can be reduced to an AvN proof for a three-qubit state that is local Clifford-equivalent to the tripartite Greenberger-Horne-Zeilinger state. This is achieved through a combinatorial characterization of AvN arguments, the AvN triple theorem, whose proof makes use of the theory of graph states. This result enables the development of a computational method to generate all the AvN arguments in [Formula: see text] on n -qubit stabilizer states. We also present new insights into the stabilizer formalism and its connections with logic.This article is part of the themed issue 'Second quantum revolution: foundational questions'. © 2017 The Author(s).

Continuous generation and stabilization of Schrödinger cat states in a quantum circuit

NASA Astrophysics Data System (ADS)

Roy, A.; Leghtas, Z.; Stone, A. D.; Devoret, M. H.; Mirrahimi, M.

2015-03-01

While dissipation is widely considered as being harmful for quantum coherence, it can, when properly engineered, lead to the stabilization of non-trivial pure quantum states. Deterministic generation of non-classical states like Schrödinger cat states is one of the key ingredients in performing universal quantum computation. We theoretically propose a scheme, adapted to superconducting quantum circuits, for continuous generation and stabilization of these states in a cavity using dissipation engineering. We first generate these states inside a high-Q cavity by engineering its dissipation with a bath that only exchanges photons in pairs. We then stabilize these transient states against single-photon decay using a second engineered bath. The single-photon stabilization is autonomous, and exploits the photon-number-dependent frequency-splitting due to Kerr interactions in the strongly dispersive regime of circuit QED. We present analytical and numerical results demonstrating the robustness of the scheme and its amenability to immediate experimental implementation. Work supported by ARO.

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution.

PubMed

Haensele, Elke; Mele, Nawel; Miljak, Marija; Read, Christopher M; Whitley, David C; Banting, Lee; Delépée, Carla; Sopkova-de Oliveira Santos, Jana; Lepailleur, Alban; Bureau, Ronan; Essex, Jonathan W; Clark, Timothy

2017-02-27

Conformation and dynamics of the vasoconstrictive peptides human urotensin II (UII) and urotensin related peptide (URP) have been investigated by both unrestrained and enhanced-sampling molecular-dynamics (MD) simulations and NMR spectroscopy. These peptides are natural ligands of the G-protein coupled urotensin II receptor (UTR) and have been linked to mammalian pathophysiology. UII and URP cannot be characterized by a single structure but exist as an equilibrium of two main classes of ring conformations, open and folded, with rapidly interchanging subtypes. The open states are characterized by turns of various types centered at K 8 Y 9 or F 6 W 7 predominantly with no or only sparsely populated transannular hydrogen bonds. The folded conformations show multiple turns stabilized by highly populated transannular hydrogen bonds comprising centers F 6 W 7 K 8 or W 7 K 8 Y 9 . Some of these conformations have not been characterized previously. The equilibrium populations that are experimentally difficult to access were estimated by replica-exchange MD simulations and validated by comparison of experimental NMR data with chemical shifts calculated with density-functional theory. UII exhibits approximately 72% open:28% folded conformations in aqueous solution. URP shows very similar ring conformations as UII but differs in an open:folded equilibrium shifted further toward open conformations (86:14) possibly arising from the absence of folded N-terminal tail-ring interaction. The results suggest that the different biological effects of UII and URP are not caused by differences in ring conformations but rather by different interactions with UTR.

Coronal Jets in Closed Magnetic Regions on the Sun

NASA Astrophysics Data System (ADS)

Wyper, Peter Fraser; DeVore, C. R.

2015-04-01

Coronal jets are dynamic, collimated structures observed in solar EUV and X-ray emission. They appear predominantly in the open field of coronal holes, but are also observed in areas of closed field, especially active regions. A common feature of coronal jets is that they originate from the field above a parasitic polarity of opposite sign to the surrounding field. Some process - such as instability onset or flux emergence - induces explosive reconnection between the closed “anemone” field and the surrounding open field that generates the jet. The lesser number of coronal jets in closed-field regions suggests a possible stabilizing effect of the closed configuration with respect to coronal jet formation. If the scale of the jet region is small compared with the background loop length, as in for example type II spicules, the nearby magnetic field may be treated as locally open. As such, one would expect that if a stabilizing effect exists it becomes most apparent as the scale of the anemone region approaches that of the background coronal loops.To investigate if coronal jets are indeed suppressed along shorter coronal loops, we performed a number of simulations of jets driven by a rotation of the parasitic polarity (as in the previous open-jet calculations by Pariat et. al 2009, 2010, 2015) embedded in a large-scale closed bipolar field. The simulations were performed with the state of the art Adaptively Refined Magnetohydrodynamics Solver. We will report here how the magnetic configuration above the anemone region determines the nature of the jet, when it is triggered, and how much of the stored magnetic energy is released. We show that regions in which the background field and the parasitic polarity region are of comparable scale naturally suppress explosive energy release. We will also show how in the post-jet relaxation phase a combination of confined MHD waves and weak current layers are generated by the jet along the background coronal loops, both of which may have implications for coronal heating.This work was supported by an appointment to the NASA Postdoctoral Program (P.F.W.) and by NASA’s Living With a Star Targeted Research and Technology program (C.R.D.).

Self-Alining End Supports for Energy Absorber

NASA Technical Reports Server (NTRS)

Alfaro-Bou, E.; Eichelberger, C. P.; Fasanella, E.

1986-01-01

Simple devices stabilize axially-loaded compressive members. Energyabsorbing column held by two end supports, which stabilize column and tolerate misalinement. Column absorbs excess load by collapsing lengthwise. Self-alining supports small, lightweight, and almost maintenance-free. Their use eliminates alinement problem, opening up more applications and providing higher reliability for compressively-loaded energy absorbers.

76 FR 47140 - Stanislaus National Forest, CA; Notice of Intent To Prepare an Environmental Impact Statement for...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-04

... Service policy to continue contributions to the economic and social well being of people by providing opportunities for economic diversity and by promoting stability for communities that depend on range resources... (ranches) as open space, contributes to the economic stability of rural populations, and provides Forest...

Orthogonal Operation of Constitutional Dynamic Networks Consisting of DNA-Tweezer Machines.

PubMed

Yue, Liang; Wang, Shan; Cecconello, Alessandro; Lehn, Jean-Marie; Willner, Itamar

2017-12-26

Overexpression or down-regulation of cellular processes are often controlled by dynamic chemical networks. Bioinspired by nature, we introduce constitutional dynamic networks (CDNs) as systems that emulate the principle of the nature processes. The CDNs comprise dynamically interconvertible equilibrated constituents that respond to external triggers by adapting the composition of the dynamic mixture to the energetic stabilization of the constituents. We introduce a nucleic acid-based CDN that includes four interconvertible and mechanically triggered tweezers, AA', BB', AB' and BA', existing in closed, closed, open, and open configurations, respectively. By subjecting the CDN to auxiliary triggers, the guided stabilization of one of the network constituents dictates the dynamic reconfiguration of the structures of the tweezers constituents. The orthogonal and reversible operations of the CDN DNA tweezers are demonstrated, using T-A·T triplex or K + -stabilized G-quadruplex as structural motifs that control the stabilities of the constituents. The implications of the study rest on the possible applications of input-guided CDN assemblies for sensing, logic gate operations, and programmed activation of molecular machines.

12 CFR 561.54 - United States Treasury Time Deposit Open Account.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 12 Banks and Banking 6 2012-01-01 2012-01-01 false United States Treasury Time Deposit Open Account. 561.54 Section 561.54 Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY... Open Account. The term United States Treasury Time Deposit Open Account means a non-interest-bearing...

Characteristics of a wind-actuated aerodynamic braking device for high-speed trains

NASA Astrophysics Data System (ADS)

Takami, H.; Maekawa, H.

2017-04-01

To shorten the stopping distance of the high speed trains in case of emergency, we developed a small-sized aerodynamic braking unit without use of the friction between a rail and a wheel. The developed device could actuate a pair of two drag panels with a travelling wind. However, after the drag panel fully opened, vibrational movements of the drag panel characterized by its slight flutter were repeated. In this study, to stabilize the opened panel, matters pertaining to the angle of attack with respect to the drag panel and pertaining to the arrangement of the two panels were examined by a wind tunnel experiment using a scale model. As a result, to stabilize the opened panel and to keep the good performance of the braking device, it is found out that an angle of attack of 75 to 80 degrees is suitable provided that the interval of the two panels is narrow enough.

Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis.

PubMed

Bai, Qifeng; Pérez-Sánchez, Horacio; Zhang, Yang; Shao, Yonghua; Shi, Danfeng; Liu, Huanxiang; Yao, Xiaojun

2014-08-14

The reported crystal structures of β2 adrenergic receptor (β2AR) reveal that the open and closed states of the water channel are correlated with the inactive and active conformations of β2AR. However, more details about the process by which the water channel states are affected by the active to inactive conformational change of β2AR remain illusive. In this work, molecular dynamics simulations are performed to study the dynamical inactive and active conformational change of β2AR induced by inverse agonist ICI 118,551. Markov state model analysis and free energy calculation are employed to explore the open and close states of the water channel. The simulation results show that inverse agonist ICI 118,551 can induce water channel opening during the conformational transition of β2AR. Markov state model (MSM) analysis proves that the energy contour can be divided into seven states. States S1, S2 and S5, which represent the active conformation of β2AR, show that the water channel is in the closed state, while states S4 and S6, which correspond to the intermediate state conformation of β2AR, indicate the water channel opens gradually. State S7, which represents the inactive structure of β2AR, corresponds to the full open state of the water channel. The opening mechanism of the water channel is involved in the ligand-induced conformational change of β2AR. These results can provide useful information for understanding the opening mechanism of the water channel and will be useful for the rational design of potent inverse agonists of β2AR.

Conformational Activation of Argonaute by Distinct yet Coordinated Actions of the Hsp70 and Hsp90 Chaperone Systems.

PubMed

Tsuboyama, Kotaro; Tadakuma, Hisashi; Tomari, Yukihide

2018-05-17

Loading of small RNAs into Argonaute, the core protein in RNA silencing, requires the Hsp70/Hsp90 chaperone machinery. This machinery also activates many other clients, including steroid hormone receptors and kinases, but how their structures change during chaperone-dependent activation remains unclear. Here, we utilized single-molecule Förster resonance energy transfer (smFRET) to probe the conformational changes of Drosophila Ago2 mediated by the chaperone machinery. We found that empty Ago2 exists in various closed conformations. The Hsp70 system (Hsp40 and Hsp70) and the Hsp90 system (Hop, Hsp90, and p23) together render Ago2 into an open, active form. The Hsp70 system, but not the Hsp90 system alone, is sufficient for Ago2 to partially populate the open form. Instead, the Hsp90 system is required to extend the dwell time of Ago2 in the open state, which must be transiently primed by the Hsp70 system. Our data uncover distinct and coordinated actions of the chaperone machinery, where the Hsp70 system expands the structural ensembles of Ago2 and the Hsp90 system captures and stabilizes the active form. Copyright © 2018 Elsevier Inc. All rights reserved.

[Characteristics, stability and in vitro efficacy of cleaning products for contact lenses].

PubMed

Coiffard, L; Rivalland, P; De Roeck-Holtzhauer, Y

1995-01-01

We characterized some market products designed for cleaning contact lenses and we compared their properties to the main requirements of eye-washes. We performed several physicochemical controls including pH determination, viscosity with a Baume apparatus and the decreasing of the freezing point following the method described by the French Pharmacopea. In addition, we carried out certain analytical controls, concerning three active principles (thiomersal, chlorhexidin digluconate, hydrogen peroxide), at the opening of the different package and after accelerated aging. A microbiological control was performed when opening the product and after a simulation of a 5-day aging. We finally determined the efficacy of the products on four bacterial strains for tests and of deproteinizing products on artificial dust. The pH values obtained ranged from 4.0 (oxygenated water solutions) to 7.8. The viscosity was close to a water solution one. Contents in active substances were usually similar to those stated on the package. At opening, the bacteriological quality was excellent. But, the multidose package were highly contaminated when used. Finally decontaminating efficacy against some germs was very good for the products tested. The results obtained show that the rincing products best answer the eye-wash criteria taken as references. Their main disadvantage is their contamination in the case of multidose packaging.

The dynamics and control of large flexible space structures, 8

NASA Technical Reports Server (NTRS)

Bainum, P. M.; Reddy, A. S. S. R.; Diarra, C. M.; Ananthakrishnan, S.

1985-01-01

A development of the in plane open loop rotational equations of motion for the proposed Spacecraft Control Laboratory Experiment (SCOLE) in orbit configuration is presented based on an Eulerian formulation. The mast is considered to be a flexible beam connected to the (rigid) shuttle and the reflector. Frequencies and mode shapes are obtained for the mast vibrational appendage modes (assumed to be decoupled) for different boundary conditions based on continuum approaches and also preliminary results are obtained using a finite element representation of the mast reflector system. The linearized rotational in plane equation is characterized by periodic coefficients and open loop system stability can be examined with an application of the Floquet theorem. Numerical results are presented to illustrate the potential instability associated with actuator time delays even for delays which represent only a small fraction of the natural period of oscillation of the modes contained in the open loop model of the system. When plant and measurement noise effects are added to the previously designed deterministic model of the hoop column system, it is seen that both the system transient and steady state performance are degraded. Mission requirements can be satisfied by appropriate assignment of cost function weighting elements and changes in the ratio of plant noise to measurement noise.

Independent of Their Localization in Protein the Hydrophobic Amino Acid Residues Have No Effect on the Molten Globule State of Apomyoglobin and the Disulfide Bond on the Surface of Apomyoglobin Stabilizes This Intermediate State

PubMed Central

Melnik, Tatiana N.; Majorina, Maria A.; Larina, Daria S.; Kashparov, Ivan A.; Samatova, Ekaterina N.; Glukhov, Anatoly S.; Melnik, Bogdan S.

2014-01-01

At present it is unclear which interactions in proteins reveal the presence of intermediate states, their stability and formation rate. In this study, we have investigated the effect of substitutions of hydrophobic amino acid residues in the hydrophobic core of protein and on its surface on a molten globule type intermediate state of apomyoglobin. It has been found that independent of their localization in protein, substitutions of hydrophobic amino acid residues do not affect the stability of the molten globule state of apomyoglobin. It has been shown also that introduction of a disulfide bond on the protein surface can stabilize the molten globule state. However in the case of apomyoglobin, stabilization of the intermediate state leads to relative destabilization of the native state of apomyoglobin. The result obtained allows us not only to conclude which mutations can have an effect on the intermediate state of the molten globule type, but also explains why the introduction of a disulfide bond (which seems to “strengthen” the protein) can result in destabilization of the protein native state of apomyoglobin. PMID:24892675

Independent of their localization in protein the hydrophobic amino acid residues have no effect on the molten globule state of apomyoglobin and the disulfide bond on the surface of apomyoglobin stabilizes this intermediate state.

PubMed

Melnik, Tatiana N; Majorina, Maria A; Larina, Daria S; Kashparov, Ivan A; Samatova, Ekaterina N; Glukhov, Anatoly S; Melnik, Bogdan S

2014-01-01

At present it is unclear which interactions in proteins reveal the presence of intermediate states, their stability and formation rate. In this study, we have investigated the effect of substitutions of hydrophobic amino acid residues in the hydrophobic core of protein and on its surface on a molten globule type intermediate state of apomyoglobin. It has been found that independent of their localization in protein, substitutions of hydrophobic amino acid residues do not affect the stability of the molten globule state of apomyoglobin. It has been shown also that introduction of a disulfide bond on the protein surface can stabilize the molten globule state. However in the case of apomyoglobin, stabilization of the intermediate state leads to relative destabilization of the native state of apomyoglobin. The result obtained allows us not only to conclude which mutations can have an effect on the intermediate state of the molten globule type, but also explains why the introduction of a disulfide bond (which seems to "strengthen" the protein) can result in destabilization of the protein native state of apomyoglobin.

Stabilization of a protein conferred by an increase in folded state entropy.

PubMed

Dagan, Shlomi; Hagai, Tzachi; Gavrilov, Yulian; Kapon, Ruti; Levy, Yaakov; Reich, Ziv

2013-06-25

Entropic stabilization of native protein structures typically relies on strategies that serve to decrease the entropy of the unfolded state. Here we report, using a combination of experimental and computational approaches, on enhanced thermodynamic stability conferred by an increase in the configurational entropy of the folded state. The enhanced stability is observed upon modifications of a loop region in the enzyme acylphosphatase and is achieved despite significant enthalpy losses. The modifications that lead to increased stability, as well as those that result in destabilization, however, strongly compromise enzymatic activity, rationalizing the preservation of the native loop structure even though it does not provide the protein with maximal stability or kinetic foldability.

Opening Health Data: What Do Researchers Want? Early Experiences With New York's Open Health Data Platform.

PubMed

Martin, Erika G; Helbig, Natalie; Birkhead, Guthrie S

2015-01-01

Governments are rapidly developing open data platforms to improve transparency and make information more accessible. New York is a leader, with currently the only state platform devoted to health. Although these platforms could build public health departments' capabilities to serve more researchers, agencies have little guidance on releasing meaningful and usable data. Structured focus groups with researchers and practitioners collected stakeholder feedback on potential uses of open health data and New York's open data strategy. Researchers and practitioners attended a 1-day November 2013 workshop on New York State's open health data resources. After learning about the state's open data platform and vision for open health data, participants were organized into 7 focus groups to discuss the essential elements of open data sets, practical challenges to obtaining and using health data, and potential uses of open data. Participants included 33 quantitative health researchers from State University of New York campuses and private partners and 10 practitioners from the New York State Department of Health. There was low awareness of open data, with 67% of researchers reporting never using open data portals prior to the workshop. Participants were interested in data sets that were geocoded, longitudinal, or aggregated to small area granularity and capabilities to link multiple data sets. Multiple environmental conditions and barriers hinder their capacity to use health data for research. Although open data platforms cannot address all barriers, they provide multiple opportunities for public health research and practice, and participants were overall positive about the state's efforts to release open data. Open data are not ideal for some researchers because they do not contain individually identifiable data, indicating a need for tiered data release strategies. However, they do provide important new opportunities to facilitate research and foster collaborations among agencies, researchers, and practitioners.

Phosphorylation of rat brain purified mitochondrial Voltage-Dependent Anion Channel by c-Jun N-terminal kinase-3 modifies open-channel noise.

PubMed

Gupta, Rajeev

2017-09-02

The drift kinetic energy of ionic flow through single ion channels cause vibrations of the pore walls which are observed as open-state current fluctuations (open-channel noise) during single-channel recordings. Vibration of the pore wall leads to transitions among different conformational sub-states of the channel protein in the open-state. Open-channel noise analysis can provide important information about the different conformational sub-state transitions and how biochemical modifications of ion channels would affect their transport properties. It has been shown that c-Jun N-terminal kinase-3 (JNK3) becomes activated by phosphorylation in various neurodegenerative diseases and phosphorylates outer mitochondrion associated proteins leading to neuronal apoptosis. In our earlier work, JNK3 has been reported to phosphorylate purified rat brain mitochondrial voltage-dependent anion channel (VDAC) in vitro and modify its conductance and opening probability. In this article we have compared the open-state noise profile of the native and the JNK3 phosphorylated VDAC using Power Spectral Density vs frequency plots. Power spectral density analysis of open-state noise indicated power law with average slope value α ≈1 for native VDAC at both positive and negative voltage whereas average α value < 0.5 for JNK3 phosphorylated VDAC at both positive and negative voltage. It is proposed that 1/f 1 power law in native VDAC open-state noise arises due to coupling of ionic transport and conformational sub-states transitions in open-state and this coupling is perturbed as a result of channel phosphorylation. Copyright © 2017 Elsevier Inc. All rights reserved.

Contribution of Charged Groups to the Enthalpic Stabilization of the Folded States of Globular Proteins

PubMed Central

Dadarlat, Voichita M.; Post, Carol Beth

2016-01-01

In this paper we use the results from all atom MD simulations of proteins and peptides to assess individual contribution of charged atomic groups to the enthalpic stability of the native state of globular proteins and investigate how the distribution of charged atomic groups in terms of solvent accessibility relates to protein enthalpic stability. The contributions of charged groups is calculated using a comparison of nonbonded interaction energy terms from equilibrium simulations of charged amino acid dipeptides in water (the “unfolded state”) and charged amino acids in globular proteins (the “folded state”). Contrary to expectation, the analysis shows that many buried, charged atomic groups contribute favorably to protein enthalpic stability. The strongest enthalpic contributions favoring the folded state come from the carboxylate (COO−) groups of either Glu or Asp. The contributions from Arg guanidinium groups are generally somewhat stabilizing, while NH3+ groups from Lys contribute little toward stabilizing the folded state. The average enthalpic gain due to the transfer of a methyl group in an apolar amino acid from solution to the protein interior is described for comparison. Notably, charged groups that are less exposed to solvent contribute more favorably to protein native-state enthalpic stability than charged groups that are solvent exposed. While solvent reorganization/release has favorable contributions to folding for all charged atomic groups, the variation in folded state stability among proteins comes mainly from the change in the nonbonded interaction energy of charged groups between the unfolded and folded states. A key outcome is that the calculated enthalpic stabilization is found to be inversely proportional to the excess charge density on the surface, in support of an hypothesis proposed previously. PMID:18303881

Enhanced efficiency and air-stability of NiOX-based perovskite solar cells via PCBM electron transport layer modification with Triton X-100.

PubMed

Lee, Kisu; Ryu, Jaehoon; Yu, Haejun; Yun, Juyoung; Lee, Jungsup; Jang, Jyongsik

2017-11-02

We modified phenyl-C61-butyric acid methyl ester (PCBM) for use as a stable, efficient electron transport layer (ETL) in inverted perovskite solar cells (PSCs). PCBM containing a surfactant Triton X-100 acts as the ETL and NiO X nanocrystals act as a hole transport layer (HTL). Atomic force microscopy and scanning electron microscopy images showed that surfactant-modified PCBM (s-PCBM) forms a high-quality, uniform, and dense ETL on the rough perovskite layer. This layer effectively blocks holes and reduces interfacial recombination. Steady-state photoluminescence and electrochemical impedance spectroscopy analyses confirmed that Triton X-100 improved the electron extraction performance of PCBM. When the s-PCBM ETL was used, the average power conversion efficiency increased from 10.76% to 15.68%. This improvement was primarily caused by the increases in the open-circuit voltage and fill factor. s-PCBM-based PSCs also showed good air-stability, retaining 83.8% of their initial performance after 800 h under ambient conditions.

Colorful Twisted Top Partners and Partnerium at the LHC

NASA Astrophysics Data System (ADS)

Kats, Yevgeny; McCullough, Matthew; Perez, Gilad; Soreq, Yotam; Thaler, Jesse

2017-06-01

In scenarios that stabilize the electroweak scale, the top quark is typically accompanied by partner particles. In this work, we demonstrate how extended stabilizing symmetries can yield scalar or fermionic top partners that transform as ordinary color triplets but carry exotic electric charges. We refer to these scenarios as "hypertwisted" since they involve modifications to hypercharge in the top sector. As proofs of principle, we construct two hypertwisted scenarios: a supersymmetric construction with spin-0 top partners, and a composite Higgs construction with spin-1/2 top partners. In both cases, the top partners are still phenomenologically compatible with the mass range motivated by weak-scale naturalness. The phenomenology of hypertwisted scenarios is diverse, since the lifetimes and decay modes of the top partners are model dependent. The novel coupling structure opens up search channels that do not typically arise in top-partner scenarios, such as pair production of top-plus-jet resonances. Furthermore, hypertwisted top partners are typically sufficiently long lived to form "top-partnerium" bound states that decay predominantly via annihilation, motivating searches for rare narrow resonances with diboson decay modes.

Lp-stability (1 less than or equal to p less than or equal to infinity) of multivariable nonlinear time-varying feedback systems that are open-loop unstable. [noting unstable convolution subsystem forward control and time varying nonlinear feedback

NASA Technical Reports Server (NTRS)

Callier, F. M.; Desoer, C. A.

1973-01-01

A class of multivariable, nonlinear time-varying feedback systems with an unstable convolution subsystem as feedforward and a time-varying nonlinear gain as feedback was considered. The impulse response of the convolution subsystem is the sum of a finite number of increasing exponentials multiplied by nonnegative powers of the time t, a term that is absolutely integrable and an infinite series of delayed impulses. The main result is a theorem. It essentially states that if the unstable convolution subsystem can be stabilized by a constant feedback gain F and if incremental gain of the difference between the nonlinear gain function and F is sufficiently small, then the nonlinear system is L(p)-stable for any p between one and infinity. Furthermore, the solutions of the nonlinear system depend continuously on the inputs in any L(p)-norm. The fixed point theorem is crucial in deriving the above theorem.

46 CFR 172.065 - Damage stability.

Code of Federal Regulations, 2011 CFR

2011-10-01

... of sinkage, heel, and trim, must be below the lower edge of an opening through which progressive... sliding watertight door; or (vi) Side scuttle of the non-opening type. (2) Heel angle. The maximum angle of heel must not exceed 25 degrees, except that this angle may be increased to 30 degrees if no deck...

46 CFR 172.065 - Damage stability.

Code of Federal Regulations, 2010 CFR

2010-10-01

... of sinkage, heel, and trim, must be below the lower edge of an opening through which progressive... sliding watertight door; or (vi) Side scuttle of the non-opening type. (2) Heel angle. The maximum angle of heel must not exceed 25 degrees, except that this angle may be increased to 30 degrees if no deck...

46 CFR 173.063 - Intact stability requirements.

Code of Federal Regulations, 2012 CFR

2012-10-01

... meter,” multiply by 10.94. (d) Each vessel of the open boat type that is required to comply with the..., an open boat may be provided with sufficient air tankage or other internal buoyancy to maintain the vessel afloat when the vessel is completely flooded or capsized. If foam is used to comply with this...

46 CFR 173.063 - Intact stability requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... meter,” multiply by 10.94. (d) Each vessel of the open boat type that is required to comply with the..., an open boat may be provided with sufficient air tankage or other internal buoyancy to maintain the vessel afloat when the vessel is completely flooded or capsized. If foam is used to comply with this...

46 CFR 173.063 - Intact stability requirements.

Code of Federal Regulations, 2013 CFR

2013-10-01

... meter,” multiply by 10.94. (d) Each vessel of the open boat type that is required to comply with the..., an open boat may be provided with sufficient air tankage or other internal buoyancy to maintain the vessel afloat when the vessel is completely flooded or capsized. If foam is used to comply with this...

46 CFR 173.063 - Intact stability requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... meter,” multiply by 10.94. (d) Each vessel of the open boat type that is required to comply with the..., an open boat may be provided with sufficient air tankage or other internal buoyancy to maintain the vessel afloat when the vessel is completely flooded or capsized. If foam is used to comply with this...

46 CFR 173.063 - Intact stability requirements.

Code of Federal Regulations, 2014 CFR

2014-10-01

... meter,” multiply by 10.94. (d) Each vessel of the open boat type that is required to comply with the..., an open boat may be provided with sufficient air tankage or other internal buoyancy to maintain the vessel afloat when the vessel is completely flooded or capsized. If foam is used to comply with this...

Biomechanical stability of novel mechanically adapted open-porous titanium scaffolds in metatarsal bone defects of sheep.

PubMed

Wieding, Jan; Lindner, Tobias; Bergschmidt, Philipp; Bader, Rainer

2015-04-01

Open-porous titanium scaffolds for large segmental bone defects offer advantages like early weight-bearing and limited risk of implant failure. The objective of this experimental study was to determine the biomechanical behavior of novel open-porous titanium scaffolds with mechanical-adapted properties in vivo. Two types of the custom-made, open-porous scaffolds made of Ti6Al4V (Young's modulus: 6-8 GPa and different pore sizes) were implanted into a 20 mm segmental defect in the mid-diaphysis of the metatarsus of sheep, and were stabilized with an osteosynthesis plate. After 12 and 24 weeks postoperatively, torsional testing was performed on the implanted bone and compared to the contralateral non-treated side. Maximum torque, maximum angle, torsional stiffness, fracture energy, shear modulus and shear stress were investigated. Furthermore, bone mineral density (BMD) of the newly formed bone was determined. Mechanical loading capabilities for both scaffolds were similar and about 50% after 12 weeks (e.g., max. torque of approximately 20 Nm). A further increase after 24 weeks was found for most of the investigated parameters. Results for torsional stiffness and shear modulus as well as bone formation depended on the type of scaffold. Increased BMD after 24 weeks was found for one scaffold type but remained constant for the other one. The present data showed the capability of mechanically adapted open-porous titanium scaffolds to function as bone scaffolds for large segmental defects and the influence of the scaffold's stiffness. A further increase in the biomechanical stability can be assumed for longer observation periods of greater than six months. Copyright © 2014 Elsevier Ltd. All rights reserved.

A New Methodology for Open Pit Slope Design in Karst-Prone Ground Conditions Based on Integrated Stochastic-Limit Equilibrium Analysis

NASA Astrophysics Data System (ADS)

Zhang, Ke; Cao, Ping; Ma, Guowei; Fan, Wenchen; Meng, Jingjing; Li, Kaihui

2016-07-01

Using the Chengmenshan Copper Mine as a case study, a new methodology for open pit slope design in karst-prone ground conditions is presented based on integrated stochastic-limit equilibrium analysis. The numerical modeling and optimization design procedure contain a collection of drill core data, karst cave stochastic model generation, SLIDE simulation and bisection method optimization. Borehole investigations are performed, and the statistical result shows that the length of the karst cave fits a negative exponential distribution model, but the length of carbonatite does not exactly follow any standard distribution. The inverse transform method and acceptance-rejection method are used to reproduce the length of the karst cave and carbonatite, respectively. A code for karst cave stochastic model generation, named KCSMG, is developed. The stability of the rock slope with the karst cave stochastic model is analyzed by combining the KCSMG code and the SLIDE program. This approach is then applied to study the effect of the karst cave on the stability of the open pit slope, and a procedure to optimize the open pit slope angle is presented.

Local Control Models of Cardiac Excitation–Contraction Coupling

PubMed Central

Stern, Michael D.; Song, Long-Sheng; Cheng, Heping; Sham, James S.K.; Yang, Huang Tian; Boheler, Kenneth R.; Ríos, Eduardo

1999-01-01

In cardiac muscle, release of activator calcium from the sarcoplasmic reticulum occurs by calcium- induced calcium release through ryanodine receptors (RyRs), which are clustered in a dense, regular, two-dimensional lattice array at the diad junction. We simulated numerically the stochastic dynamics of RyRs and L-type sarcolemmal calcium channels interacting via calcium nano-domains in the junctional cleft. Four putative RyR gating schemes based on single-channel measurements in lipid bilayers all failed to give stable excitation–contraction coupling, due either to insufficiently strong inactivation to terminate locally regenerative calcium-induced calcium release or insufficient cooperativity to discriminate against RyR activation by background calcium. If the ryanodine receptor was represented, instead, by a phenomenological four-state gating scheme, with channel opening resulting from simultaneous binding of two Ca2+ ions, and either calcium-dependent or activation-linked inactivation, the simulations gave a good semiquantitative accounting for the macroscopic features of excitation–contraction coupling. It was possible to restore stability to a model based on a bilayer-derived gating scheme, by introducing allosteric interactions between nearest-neighbor RyRs so as to stabilize the inactivated state and produce cooperativity among calcium binding sites on different RyRs. Such allosteric coupling between RyRs may be a function of the foot process and lattice array, explaining their conservation during evolution. PMID:10051521

Comprehensive mechanism and structure-sensitivity of ethanol oxidation on platinum: new transition-state searching method for resolving the complex reaction network.

PubMed

Wang, Hui-Fang; Liu, Zhi-Pan

2008-08-20

Ethanol oxidation on Pt is a typical multistep and multiselectivity heterogeneous catalytic process. A comprehensive understanding of this fundamental reaction would greatly benefit design of catalysts for use in direct ethanol fuel cells and the degradation of biomass-derived oxygenates. In this work, the reaction network of ethanol oxidation on different Pt surfaces, including close-packed Pt{111}, stepped Pt{211}, and open Pt{100}, is explored thoroughly with an efficient reaction path searching method, which integrates our new transition-state searching technique with periodic density functional theory calculations. Our new technique enables the location of the transition state and saddle points for most surface reactions simply and efficiently by optimization of local minima. We show that the selectivity of ethanol oxidation on Pt depends markedly on the surface structure, which can be attributed to the structure-sensitivity of two key reaction steps: (i) the initial dehydrogenation of ethanol and (ii) the oxidation of acetyl (CH3CO). On open surface sites, ethanol prefers C-C bond cleavage via strongly adsorbed intermediates (CH2CO or CHCO), which leads to complete oxidation to CO2. However, only partial oxidizations to CH3CHO and CH3COOH occur on Pt{111}. Our mechanism points out that the open surface Pt{100} is the best facet to fully oxidize ethanol at low coverages, which sheds light on the origin of the remarkable catalytic performance of Pt tetrahexahedra nanocrystals found recently. The physical origin of the structure-selectivity is rationalized in terms of both thermodynamics and kinetics. Two fundamental quantities that dictate the selectivity of ethanol oxidation are identified: (i) the ability of surface metal atoms to bond with unsaturated C-containing fragments and (ii) the relative stability of hydroxyl at surface atop sites with respect to other sites.

Snow mechanics and avalanche formation: field experiments on the dynamic response of the snow cover

NASA Astrophysics Data System (ADS)

Schweizer, Jürg; Schneebeli, Martin; Fierz, Charles; Föhn, Paul M. B.

1995-11-01

Knowledge about snow mechanics and snow avalanche formation forms the basis of any hazard mitigation measures. The crucial point is the snow stability. The most relevant mechanical properties - the compressive, tensile and shear strength of the individual snow layers within the snow cover - vary substantially in space and time. Among other things the strength of the snow layers depends strongly on the state of stress and the strain rate. The evaluation of the stability of the snow cover is hence a difficult task involving many extrapolations. To gain insight in the release mechanism of slab avalanches triggered by skiers, the skier's impact is measured with a load cell at different depths within the snow cover and for different snow conditions. The study focused on the effects of the dynamic loading and of the damping by snow compaction. In accordance with earlier finite-element (FE) calculations the results show the importance of the depth of the weak layer or interface and the snow conditions, especially the sublayering. In order to directly measure the impact force and to study the snow properties in more detail, a new instrument, called rammrutsch was developed. It combines the properties of the rutschblock with the defined impact properties of the rammsonde. The mechanical properties are determined using (i) the impact energy of the rammrutsch and (ii) the deformations of the snow cover measured with accelerometers and digital image processing of video sequences. The new method is well suited to detect and to measure the mechanical processes and properties of the fracturing layers. The duration of one test is around 10 minutes and the method seems appropriate for determining the spatial variability of the snow cover. A series of experiments in a forest opening showed a clear difference in the snow stability between sites below trees and ones in the free field of the opening.

Optimizing Synchronization Stability of the Kuramoto Model in Complex Networks and Power Grids

NASA Astrophysics Data System (ADS)

Li, Bo; Wong, K. Y. Michael

Maintaining the stability of synchronization state is crucial for the functioning of many natural and artificial systems. For the Kuramoto model on general weighted networks, the synchronization stability, measured by the dominant Lyapunov exponent at the steady state, is shown to have intricate and nonlinear dependence on the network topology and the dynamical parameters. Specifically, the dominant Lyapunov exponent corresponds to the algebraic connectivity of a meta-graph whose edge weight depends nonlinearly on the steady states. In this study, we utilize the cut-set space (DC) approximation to estimate the nonlinear steady state and simplify the calculation of the stability measure, based on which we further derive efficient algorithms to optimize the synchronization stability. The properties of the optimized networks and application in power grid stability are also discussed. This work is supported by a Grant from the Research Grant Council of Hong Kong (Grant Numbers 605813 and 16322616).

Necessary conditions for the emergence of homochirality via autocatalytic self-replication

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stich, Michael; Ribó, Josep M.; Blackmond, Donna G., E-mail: blackmond@scripps.edu

We analyze a recent proposal for spontaneous mirror symmetry breaking based on the coupling of first-order enantioselective autocatalysis and direct production of the enantiomers that invokes a critical role for intrinsic reaction noise. For isolated systems, the racemic state is the unique stable outcome for both stochastic and deterministic dynamics when the system is in compliance with the constraints dictated by the thermodynamics of chemical reaction processes. In open systems, the racemic outcome also results for both stochastic and deterministic dynamics when driving the autocatalysis unidirectionally by external reagents. Nonracemic states can result in the latter only if the reversemore » reactions are strictly zero: these are kinetically controlled outcomes for small populations and volumes, and can be simulated by stochastic dynamics. However, the stability of the thermodynamic limit proves that the racemic outcome is the unique stable state for strictly irreversible externally driven autocatalysis. These findings contradict the suggestion that the inhibition requirement of the Frank autocatalytic model for the emergence of homochirality may be relaxed in a noise-induced mechanism.« less

Vertically-aligned Mn(OH) 2 nanosheet films for flexible all-solid-state electrochemical supercapacitors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Ziyuan; Gong, Jiangfeng; Tang, Chunmei

We report that the arrangement of the electrode materials is a significant contributor for constructing high performance supercapacitor. Here, vertically-aligned Mn(OH) 2 nanosheet thin films were synthesized by cathodic electrodeposition technique on flexible Au coated polyethylene terephthalate substrates. Morphologies, microstructures, chemical compositions and valence state of the nanosheet films were characterized systematically. It shows that the nanosheets arranged vertically to the substrate, forming a porous nanowall structures and creating large open framework, which greatly facilitate the adsorption or diffusion of electrolyte ions for faradaic redox reaction. Electrochemical tests of the films show the specific capacitance as high as 240.2 Fmore » g -1 at 1.0 A g -1. The films were employed to assemble symmetric all-solid-state supercapacitors with LiCl/PVA gel severed as solid electrolyte. Finally, the solid devices exhibit high volumetric capacitance of 39.3 mF cm -3 at the current density 0.3 mA cm -3 with robust cycling stability. The superior performance is attributed to the vertically-aligned configuration.« less

Vertically-aligned Mn(OH) 2 nanosheet films for flexible all-solid-state electrochemical supercapacitors

DOE PAGES

Yang, Ziyuan; Gong, Jiangfeng; Tang, Chunmei; ...

2017-08-28

We report that the arrangement of the electrode materials is a significant contributor for constructing high performance supercapacitor. Here, vertically-aligned Mn(OH) 2 nanosheet thin films were synthesized by cathodic electrodeposition technique on flexible Au coated polyethylene terephthalate substrates. Morphologies, microstructures, chemical compositions and valence state of the nanosheet films were characterized systematically. It shows that the nanosheets arranged vertically to the substrate, forming a porous nanowall structures and creating large open framework, which greatly facilitate the adsorption or diffusion of electrolyte ions for faradaic redox reaction. Electrochemical tests of the films show the specific capacitance as high as 240.2 Fmore » g -1 at 1.0 A g -1. The films were employed to assemble symmetric all-solid-state supercapacitors with LiCl/PVA gel severed as solid electrolyte. Finally, the solid devices exhibit high volumetric capacitance of 39.3 mF cm -3 at the current density 0.3 mA cm -3 with robust cycling stability. The superior performance is attributed to the vertically-aligned configuration.« less

Periodic-disturbance accommodating control of the space station for asymptotic momentum management

NASA Technical Reports Server (NTRS)

Warren, Wayne; Wie, Bong

1989-01-01

Periodic maneuvering control is developed for asymptotic momentum management of control gyros used as primary actuating devices for the Space Station. The proposed controller utilizes the concepts of quaternion feedback control and periodic-disturbance accommodation to achieve oscillations about the constant torque equilibrium attitude, while minimizing the control effort required. Three-axis coupled equations of motion, written in terms of quaternions, are derived for roll/yaw controller design and stability analysis. It is shown that the quaternion feedback controller is very robust for a wide range of pitch angles. It is also shown that the proposed controller tunes the open-loop unstable vehicle to a stable oscillatory motion which minimizes the control effort needed for steady-state operations.

Frictional stability and earthquake triggering during fluid pressure stimulation of an experimental fault

NASA Astrophysics Data System (ADS)

Scuderi, M. M.; Collettini, C.; Marone, C.

2017-11-01

It is widely recognized that the significant increase of M > 3.0 earthquakes in Western Canada and the Central United States is related to underground fluid injection. Following injection, fluid overpressure lubricates the fault and reduces the effective normal stress that holds the fault in place, promoting slip. Although, this basic physical mechanism for earthquake triggering and fault slip is well understood, there are many open questions related to induced seismicity. Models of earthquake nucleation based on rate- and state-friction predict that fluid overpressure should stabilize fault slip rather than trigger earthquakes. To address this controversy, we conducted laboratory creep experiments to monitor fault slip evolution at constant shear stress while the effective normal stress was systematically reduced via increasing fluid pressure. We sheared layers of carbonate-bearing fault gouge in a double direct shear configuration within a true-triaxial pressure vessel. We show that fault slip evolution is controlled by the stress state acting on the fault and that fluid pressurization can trigger dynamic instability even in cases of rate strengthening friction, which should favor aseismic creep. During fluid pressurization, when shear and effective normal stresses reach the failure condition, accelerated creep occurs in association with fault dilation; further pressurization leads to an exponential acceleration with fault compaction and slip localization. Our work indicates that fault weakening induced by fluid pressurization can overcome rate strengthening friction resulting in fast acceleration and earthquake slip. Our work points to modifications of the standard model for earthquake nucleation to account for the effect of fluid overpressure and to accurately predict the seismic risk associated with fluid injection.

Control of Ambipolar Transport in SnO Thin-Film Transistors by Back-Channel Surface Passivation for High Performance Complementary-like Inverters.

PubMed

Luo, Hao; Liang, Lingyan; Cao, Hongtao; Dai, Mingzhi; Lu, Yicheng; Wang, Mei

2015-08-12

For ultrathin semiconductor channels, the surface and interface nature are vital and often dominate the bulk properties to govern the field-effect behaviors. High-performance thin-film transistors (TFTs) rely on the well-defined interface between the channel and gate dielectric, featuring negligible charge trap states and high-speed carrier transport with minimum carrier scattering characters. The passivation process on the back-channel surface of the bottom-gate TFTs is indispensable for suppressing the surface states and blocking the interactions between the semiconductor channel and the surrounding atmosphere. We report a dielectric layer for passivation of the back-channel surface of 20 nm thick tin monoxide (SnO) TFTs to achieve ambipolar operation and complementary metal oxide semiconductor (CMOS) like logic devices. This chemical passivation reduces the subgap states of the ultrathin channel, which offers an opportunity to facilitate the Fermi level shifting upward upon changing the polarity of the gate voltage. With the advent of n-type inversion along with the pristine p-type conduction, it is now possible to realize ambipolar operation using only one channel layer. The CMOS-like logic inverters based on ambipolar SnO TFTs were also demonstrated. Large inverter voltage gains (>100) in combination with wide noise margins are achieved due to high and balanced electron and hole mobilities. The passivation also improves the long-term stability of the devices. The ability to simultaneously achieve field-effect inversion, electrical stability, and logic function in those devices can open up possibilities for the conventional back-channel surface passivation in the CMOS-like electronics.

Sustainable steric stabilization of colloidal titania nanoparticles

NASA Astrophysics Data System (ADS)

Elbasuney, Sherif

2017-07-01

A route to produce a stable colloidal suspension is essential if mono-dispersed particles are to be successfully synthesized, isolated, and used in subsequent nanocomposite manufacture. Dispersing nanoparticles in fluids was found to be an important approach for avoiding poor dispersion characteristics. However, there is still a great tendency for colloidal nanoparticles to flocculate over time. Steric stabilization can prevent coagulation by introducing a thick adsorbed organic layer which constitutes a significant steric barrier that can prevent the particle surfaces from coming into direct contact. One of the main features of hydrothermal synthesis technique is that it offers novel approaches for sustainable nanoparticle surface modification. This manuscript reports on the sustainable steric stabilization of titanium dioxide nanoparticles. Nanoparticle surface modification was performed via two main approaches including post-synthesis and in situ surface modification. The tuneable hydrothermal conditions (i.e. temperature, pressure, flow rates, and surfactant addition) were optimized to enable controlled steric stabilization in a continuous fashion. Effective post synthesis surface modification with organic ligand (dodecenyl succinic anhydride (DDSA)) was achieved; the optimum surface coating temperature was reported to be 180-240 °C to ensure DDSA ring opening and binding to titania nanoparticles. Organic-modified titania demonstrated complete change in surface properties from hydrophilic to hydrophobic and exhibited phase transfer from the aqueous phase to the organic phase. Exclusive surface modification in the reactor was found to be an effective approach; it demonstrated surfactant loading level 2.2 times that of post synthesis surface modification. Titania was also stabilized in aqueous media using poly acrylic acid (PAA) as polar polymeric dispersant. PAA-titania nanoparticles demonstrated a durable amorphous polymeric layer of 2 nm thickness. This manuscript revealed the state of the art for the real development of stable colloidal mono-dispersed particles with controlled surface properties.

A microfluidic device for dry sample preservation in remote settings.

PubMed

Begolo, Stefano; Shen, Feng; Ismagilov, Rustem F

2013-11-21

This paper describes a microfluidic device for dry preservation of biological specimens at room temperature that incorporates chemical stabilization matrices. Long-term stabilization of samples is crucial for remote medical analysis, biosurveillance, and archiving, but the current paradigm for transporting remotely obtained samples relies on the costly "cold chain" to preserve analytes within biospecimens. We propose an alternative approach that involves the use of microfluidics to preserve samples in the dry state with stabilization matrices, developed by others, that are based on self-preservation chemistries found in nature. We describe a SlipChip-based device that allows minimally trained users to preserve samples with the three simple steps of placing a sample at an inlet, closing a lid, and slipping one layer of the device. The device fills automatically, and a pre-loaded desiccant dries the samples. Later, specimens can be rehydrated and recovered for analysis in a laboratory. This device is portable, compact, and self-contained, so it can be transported and operated by untrained users even in limited-resource settings. Features such as dead-end and sequential filling, combined with a "pumping lid" mechanism, enable precise quantification of the original sample's volume while avoiding overfilling. In addition, we demonstrated that the device can be integrated with a plasma filtration module, and we validated device operations and capabilities by testing the stability of purified RNA solutions. These features and the modularity of this platform (which facilitates integration and simplifies operation) would be applicable to other microfluidic devices beyond this application. We envision that as the field of stabilization matrices develops, microfluidic devices will be useful for cost-effectively facilitating remote analysis and biosurveillance while also opening new opportunities for diagnostics, drug development, and other medical fields.

Personality Correlates of Midlife Cardiometabolic Risk: The Explanatory Role of Higher-Order Factors of the Five Factor Model

PubMed Central

Dermody, Sarah S.; Wright, Aidan G.C.; Cheong, JeeWon; Miller, Karissa G.; Muldoon, Matthew F.; Flory, Janine D.; Gianaros, Peter J.; Marsland, Anna L.; Manuck, Stephen B.

2015-01-01

Objective Varying associations are reported between Five Factor Model (FFM) personality traits and cardiovascular diseaabolic risk within a hierarchical model of personality that posits higherse risk. Here, we further examine dispositional correlates of cardiomet -order traits of Stability (shared variance of Agreeableness, Conscientiousness, inverse Neuroticism) and Plasticity (Extraversion, Openness), and test hypothesized mediation via biological and behavioral factors. Method In an observational study of 856 community volunteers aged 30–54 years (46% male, 86% Caucasian), latent variable FFM traits (using multiple-informant reports) and aggregated cardiometabolic risk (indicators: insulin resistance, dyslipidemia, blood pressure, adiposity) were estimated using confirmatory factor analysis (CFA). The cardiometabolic factor was regressed on each personality factor or higher-order trait. Cross-sectional indirect effects via systemic inflammation, cardiac autonomic control, and physical activity were tested. Results CFA models confirmed the Stability “meta-trait,” but not Plasticity. Lower Stability was associated with heightened cardiometabolic risk. This association was accounted for by inflammation, autonomic function, and physical activity. Among FFM traits, only Openness was associated with risk over and above Stability and, unlike Stablity, this relationship was unexplained by the intervening variables. Conclusions A Stability meta-trait covaries with midlife cardiometabolic risk, and this association is accounted for by three candidate biological and behavioral factors. PMID:26249259

A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

NASA Astrophysics Data System (ADS)

Razavi, Asghar M.; Khelashvili, George; Weinstein, Harel

2017-01-01

The dopamine transporter (DAT) belongs to the neurotransmitter:sodium symporter (NSS) family of membrane proteins that are responsible for reuptake of neurotransmitters from the synaptic cleft to terminate a neuronal signal and enable subsequent neurotransmitter release from the presynaptic neuron. The release of one sodium ion from the crystallographically determined sodium binding site Na2 had been identified as an initial step in the transport cycle which prepares the transporter for substrate translocation by stabilizing an inward-open conformation. We have constructed Markov State Models (MSMs) from extensive molecular dynamics simulations of human DAT (hDAT) to explore the mechanism of this sodium release. Our results quantify the release process triggered by hydration of the Na2 site that occurs concomitantly with a conformational transition from an outward-facing to an inward-facing state of the transporter. The kinetics of the release process are computed from the MSM, and transition path theory is used to identify the most probable sodium release pathways. An intermediate state is discovered on the sodium release pathway, and the results reveal the importance of various modes of interaction of the N-terminus of hDAT in controlling the pathways of release.

Matrix-product-operator approach to the nonequilibrium steady state of driven-dissipative quantum arrays

NASA Astrophysics Data System (ADS)

Mascarenhas, Eduardo; Flayac, Hugo; Savona, Vincenzo

2015-08-01

We develop a numerical procedure to efficiently model the nonequilibrium steady state of one-dimensional arrays of open quantum systems based on a matrix-product operator ansatz for the density matrix. The procedure searches for the null eigenvalue of the Liouvillian superoperator by sweeping along the system while carrying out a partial diagonalization of the single-site stationary problem. It bears full analogy to the density-matrix renormalization-group approach to the ground state of isolated systems, and its numerical complexity scales as a power law with the bond dimension. The method brings considerable advantage when compared to the integration of the time-dependent problem via Trotter decomposition, as it can address arbitrarily long-ranged couplings. Additionally, it ensures numerical stability in the case of weakly dissipative systems thanks to a slow tuning of the dissipation rates along the sweeps. We have tested the method on a driven-dissipative spin chain, under various assumptions for the Hamiltonian, drive, and dissipation parameters, and compared the results to those obtained both by Trotter dynamics and Monte Carlo wave function methods. Accurate and numerically stable convergence was always achieved when applying the method to systems with a gapped Liouvillian and a nondegenerate steady state.

Physicochemical and microbiological stability of azathioprine in InOrpha suspending agent studied under various conditions.

PubMed

Amin, Alexandre; Bourget, Philippe; Vidal, Fabrice; Cartier, François; Beauvais, Raphaëlle; Afonso, Veronica Do Nascimento

2015-01-01

Azathioprine is an antineoplastic antimetabolite drug currently used as an immunosuppressive agent after organ transplantation and for several dysimmunitary diseases. The usual daily dose ranges from 1 to 5 mg/kg orally. Azathioprine is marketed in France under the trade name Imurel in tablet form for oral administration that contains either 25 mg or 50 mg of the active ingredient. This Galenic formulation is not suitable for pediatric use and often requires a grinding operation or a dose fractionation to facilitate administration. In addition to a potential risk of imprecision in the administered dose, tablet grinding might unnecessarily expose nurses and families to a toxic compound. To overcome this problem, the objective of this study was to develop and evaluate the physicochemical and microbiological stabilities of azathioprine in a sugar-free, alcohol-free, and paraben-free InOrpha suspending agent. The studied samples were formulated into a 10-mg/mL suspension and stored in 24 plastic bottles of 60 mL at two different temperature conditions (between 2 degrees C to 8 degrees C and room temperature). Two series of 12 samples were tested for physicochemical stability using high-performance liquid chromatography as well as for a microbiological status for 35 days (daily opening of the bottles from day 0 of compounding) and for 56 days, upon daily flask opening (first opening at day 28 from compounding and daily opening for 28 consecutive days). The high-performance liquid chromatography method developed is linear, accurate, precise, and robust. In addition, a forced degradation study validated the selectivity and the specificity requirements of the method validated as stability indicating. At room temperature storage, high-performance liquid chromatography analysis showed that tested samples had concentrations ranging from 90% to 110% of the initial concentration throughout the course of the study. Microbiological status remained stable during the 56 days of investigation. Based on the data collected, the study led to the development of a new Galenic formulation of azathioprine that is suitable for pediatric use and can be safely stored at room temperature for 28 days (before and after opening for a maximum of 56 consecutive days).

HRD Motif as the Central Hub of the Signaling Network for Activation Loop Autophosphorylation in Abl Kinase.

PubMed

La Sala, Giuseppina; Riccardi, Laura; Gaspari, Roberto; Cavalli, Andrea; Hantschel, Oliver; De Vivo, Marco

2016-11-08

A number of structural factors modulate the activity of Abelson (Abl) tyrosine kinase, whose deregulation is often related to oncogenic processes. First, only the open conformation of the Abl kinase domain's activation loop (A-loop) favors ATP binding to the catalytic cleft. In this regard, the trans-autophosphorylation of the Y412 residue, which is located along the A-loop, favors the stability of the open conformation, in turn enhancing Abl activity. Another key factor for full Abl activity is the formation of active conformations of the catalytic DFG motif in the Abl kinase domain. Furthermore, binding of the SH2 domain to the N-lobe of the Abl kinase was recently demonstrated to have a long-range allosteric effect on the stabilization of the A-loop open state. Intriguingly, these distinct structural factors imply a complex signal transmission network for controlling the A-loop's flexibility and conformational preference for optimal Abl function. However, the exact dynamical features of this signal transmission network structure remain unclear. Here, we report on microsecond-long molecular dynamics coupled with enhanced sampling simulations of multiple Abl model systems, in the presence or absence of the SH2 domain and with the DFG motif flipped in two ways (in or out conformation). Through comparative analysis, our simulations augment the interpretation of the existing Abl experimental data, revealing a dynamical network of interactions that interconnect SH2 domain binding with A-loop plasticity and Y412 autophosphorylation in Abl. This signaling network engages the DFG motif and, importantly, other conserved structural elements of the kinase domain, namely, the EPK-ELK H-bond network and the HRD motif. Our results show that the signal propagation for modulating the A-loop spatial localization is highly dependent on the HRD motif conformation, which thus acts as the central hub of this (allosteric) signaling network controlling Abl activation and function.

Transient and asymptotic behavior in a regular network model for the ice-albedo feedback under thermal forcing

NASA Astrophysics Data System (ADS)

Mueller-Stoffels, M.; Wackerbauer, R.

2010-12-01

The Arctic ocean and sea ice form a feedback system which plays an important role in the global climate. Variations of the global ice and snow distribution have a significant effect on the planetary albedo which governs the absorption of shortwave radiation. The complexity of highly parametrized GCMs makes it very difficult to assess single feedback processes in the climate system without the concurrent use of simple models where the physics are understood [1][2][3]. We introduce a complex systems model to investigate thermodynamic feedback processes in an Arctic ice-ocean layer. The ice-ocean layer is represented as a regular network of coupled cells. The state of each cell is determined by its energy content, which also defines the phase of the cell. The energy transport between cells is described with nonlinear and heterogeneous diffusion constants. And the time-evolution of the ice-ocean is driven by shortwave, longwave and lateral oceanic and atmospheric thermal forcing. This model is designed to study the stability of an ice cover under various heat intake scenarios. The network structure of the model allows to easily introduce albedo heterogeneities due to aging ice, wind blown snow cover, and ice movement to explore the time-evolution and pattern formation (melt ponds) processes in the Arctic sea ice. The solely thermodynamic model exhibits two stable states; one in the perennially ice covered domain and one in the perennially open water domain. Their existence is due to the temperature dependence of the longwave radiative budget. Transition between these states can be forced via lateral heat fluxes. During the transition from the ice covered to the open water stable state the ice albedo feedback effects are manifested as an increased warming rate of the ice cover together with enhanced seasonal energy oscillations. In the current model realization seasonal ice cover is present as a transient state only. Furthermore, the model exhibits hysteresis between the ice covered and the open water state when varying the lateral atmospheric (or oceanic) heat intake. Once the ice-ocean layer has transitioned from the ice covered to the open water stable state significant cooling (reduction of lateral fluxes) is necessary to return to the ice covered stable state. We also find that ocean heat fluxes are more efficient than atmospheric heat fluxes to melt Arctic sea ice; only small portions of heat entering from the bottom of the ice-ocean layer induce already a transition to the stable asymptotic state with perennial open water. This indicates that ocean currents, understood as heat conveyors, can play a significant role in melting continuous ice covers. This is consistent with the findings of Shimada et al. for the Canada basin [4]. References: [1] S. Bony et al., How well do we understand and evaluate climate change feedback processes?, J of Climate 19, 3445 (2006). [2]I. Eisenman and J.S. Wettlaufer, Nonlinear threshold behavior during the loss of Arctic sea ice, PNAS 106, 28 (2009). [3]A.S. Thorndike, A Toy Model Linking Atmospheric and Thermal Radiation and Sea Ice Growth, JGR 97, 9401 (1992). [4] K. Shimada et al., Paci[|#12#|]c Ocean inflow: Influence on catastrophic reduction of sea ice cover in the Arctic Ocean, GRL 33, L08605 (2006).

Effect of von Karman Vortex Shedding on Regular and Open-slit V-gutter Stabilized Turbulent Premixed Flames

DTIC Science & Technology

2012-04-01

Both flame lengths shrink and large scale disruptions occur downstream with vortex shedding carrying reaction zones. Flames in both flameholders...9) the flame structure changes dramatically for both regular and open-slit V-gutter. Both flame lengths shrink and large scale disruptions occur...reduces the flame length . However, qualitatively the open-slit V-gutter appears to be more sensitive than the regular V-gutter. Both flames remain

Water Hammer Simulations of Monomethylhydrazine Propellant

NASA Technical Reports Server (NTRS)

Burkhardt, Zachary; Ramachandran, N.; Majumdar, A.

2017-01-01

Fluid Transient analysis is important for the design of spacecraft propulsion system to ensure structural stability of the system in the event of sudden closing or opening of the valve. Generalized Fluid System Simulation Program (GFSSP), a general purpose flow network code developed at NASA/MSFC is capable of simulating pressure surge due to sudden opening or closing of valve when thermodynamic properties of real fluid are available for the entire range of simulation. Specifically GFSSP needs an accurate representation of pressure density relationship in order to predict pressure surge during a fluid transient. Unfortunately, the available thermodynamic property programs such as REFPROP, GASP or GASPAK do not provide the thermodynamic properties of Monomethylhydrazine(MMH). This work illustrates the process used for building a customized table of properties of state variables from available properties and speed of sound that is required by GFSSP for simulation. Good agreement was found between the simulations and measured data. This method can be adopted for modeling flow networks and systems with other fluids whose properties are not known in detail in order to obtain general technical insight.

Control of Smc Coiled Coil Architecture by the ATPase Heads Facilitates Targeting to Chromosomal ParB/parS and Release onto Flanking DNA

PubMed Central

Minnen, Anita; Bürmann, Frank; Wilhelm, Larissa; Anchimiuk, Anna; Diebold-Durand, Marie-Laure; Gruber, Stephan

2016-01-01

Summary Smc/ScpAB promotes chromosome segregation in prokaryotes, presumably by compacting and resolving nascent sister chromosomes. The underlying mechanisms, however, are poorly understood. Here, we investigate the role of the Smc ATPase activity in the recruitment of Smc/ScpAB to the Bacillus subtilis chromosome. We demonstrate that targeting of Smc/ScpAB to ParB/parS loading sites is strictly dependent on engagement of Smc head domains and relies on an open organization of the Smc coiled coils. We find that dimerization of the Smc hinge domain stabilizes closed Smc rods and hinders head engagement as well as chromosomal targeting. Conversely, the ScpAB sub-complex promotes head engagement and Smc rod opening and thereby facilitates recruitment of Smc to parS sites. Upon ATP hydrolysis, Smc/ScpAB is released from loading sites and relocates within the chromosome—presumably through translocation along DNA double helices. Our findings define an intermediate state in the process of chromosome organization by Smc. PMID:26904953

A complete characterization of all-versus-nothing arguments for stabilizer states

NASA Astrophysics Data System (ADS)

Abramsky, Samson; Barbosa, Rui Soares; Carù, Giovanni; Perdrix, Simon

2017-10-01

An important class of contextuality arguments in quantum foundations are the all-versus-nothing (AvN) proofs, generalizing a construction originally due to Mermin. We present a general formulation of AvN arguments and a complete characterization of all such arguments that arise from stabilizer states. We show that every AvN argument for an n-qubit stabilizer state can be reduced to an AvN proof for a three-qubit state that is local Clifford-equivalent to the tripartite Greenberger-Horne-Zeilinger state. This is achieved through a combinatorial characterization of AvN arguments, the AvN triple theorem, whose proof makes use of the theory of graph states. This result enables the development of a computational method to generate all the AvN arguments in on n-qubit stabilizer states. We also present new insights into the stabilizer formalism and its connections with logic. This article is part of the themed issue `Second quantum revolution: foundational questions'.

Linear feedback stabilization of a dispersively monitored qubit

NASA Astrophysics Data System (ADS)

Patti, Taylor Lee; Chantasri, Areeya; García-Pintos, Luis Pedro; Jordan, Andrew N.; Dressel, Justin

2017-08-01

The state of a continuously monitored qubit evolves stochastically, exhibiting competition between coherent Hamiltonian dynamics and diffusive partial collapse dynamics that follow the measurement record. We couple these distinct types of dynamics together by linearly feeding the collected record for dispersive energy measurements directly back into a coherent Rabi drive amplitude. Such feedback turns the competition cooperative and effectively stabilizes the qubit state near a target state. We derive the conditions for obtaining such dispersive state stabilization and verify the stabilization conditions numerically. We include common experimental nonidealities, such as energy decay, environmental dephasing, detector efficiency, and feedback delay, and show that the feedback delay has the most significant negative effect on the feedback protocol. Setting the measurement collapse time scale to be long compared to the feedback delay yields the best stabilization.

Open Markov Processes and Reaction Networks

NASA Astrophysics Data System (ADS)

Swistock Pollard, Blake Stephen

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Byzantine-fault tolerant self-stabilizing protocol for distributed clock synchronization systems

NASA Technical Reports Server (NTRS)

Malekpour, Mahyar R. (Inventor)

2010-01-01

A rapid Byzantine self-stabilizing clock synchronization protocol that self-stabilizes from any state, tolerates bursts of transient failures, and deterministically converges within a linear convergence time with respect to the self-stabilization period. Upon self-stabilization, all good clocks proceed synchronously. The Byzantine self-stabilizing clock synchronization protocol does not rely on any assumptions about the initial state of the clocks. Furthermore, there is neither a central clock nor an externally generated pulse system. The protocol converges deterministically, is scalable, and self-stabilizes in a short amount of time. The convergence time is linear with respect to the self-stabilization period.

Mechanism for stabilization of the molten globule state of papain by sodium n-alkyl sulfates: spectroscopic and calorimetric approaches.

PubMed

Chamani, J; Heshmati, M

2008-06-01

Papain exists in a molten globule (MG) state at pH 2 and in this state protein tends to aggregate in the presence of lower concentrations of guanidine hydrochloride (GuHCl). Such aggregation is prevented if low concentrations of sodium n-alkyl sulfates are also present in the buffer; in addition, stabilization of the protein is also induced. The guanidine hydrochloride and temperature-induced unfolding of papain, in the presence of n-alkyl sulfates, indicate stabilization of the protein as seen from the higher transition midpoints when monitored by fluorescence, circular dichroism, and differential scanning calorimetry. However, a similar phenomenon is not seen under neutral conditions in the presence of n-alkyl sulfate concentrations. The effect of n-alkyl sulfates on the structure of the MG state of papain was utilized to investigate the contribution of hydrophobic interaction to the stability of the MG state. The Td values of the MG states of papain in the presence of n-alkyl sulfates at different concentrations showed substantial variation. The enhancement of Td values at the stability criterion of MG states corresponded with increasing chain length of the cited n-alkyl sulfates. The present results suggest that the hydrophobic interactions play important roles in stabilizing and preventing the aggregation of the MG state of papain.

Distillation of multipartite entanglement by complementary stabilizer measurements.

PubMed

Miyake, Akimasa; Briegel, Hans J

2005-11-25

We propose a scheme of multipartite entanglement distillation driven by a complementary pair of stabilizer measurements to distill directly a wider range of states beyond the stabilizer code states (such as the Greenberger-Horne-Zeilinger states). We make our idea explicit by constructing a recurrence protocol for the 3-qubit state [formula: see text]. Noisy states resulting from typical decoherence can be directly purified in a few steps, if their initial fidelity is larger than a threshold. For general input mixed states, we observe distillations to hierarchical fixed points, i.e., not only to the state but also to the 2-qubit Bell pair, depending on their initial entanglement.

Analysis of Cytochrome P450 CYP119 Ligand-dependent Conformational Dynamics by Two-dimensional NMR and X-ray Crystallography*

PubMed Central

Basudhar, Debashree; Madrona, Yarrow; Kandel, Sylvie; Lampe, Jed N.; Nishida, Clinton R.; de Montellano, Paul R. Ortiz

2015-01-01

Defining the conformational states of cytochrome P450 active sites is critical for the design of agents that minimize drug-drug interactions, the development of isoform-specific P450 inhibitors, and the engineering of novel oxidative catalysts. We used two-dimensional 1H,15N HSQC chemical shift perturbation mapping of 15N-labeled Phe residues and x-ray crystallography to examine the ligand-dependent conformational dynamics of CYP119. Active site Phe residues were most affected by the binding of azole inhibitors and fatty acid substrates, in agreement with active site localization of the conformational changes. This was supported by crystallography, which revealed movement of the F-G loop with various azoles. Nevertheless, the NMR chemical shift perturbations caused by azoles and substrates were distinguishable. The absence of significant chemical shift perturbations with several azoles revealed binding of ligands to an open conformation similar to that of the ligand-free state. In contrast, 4-phenylimidazole caused pronounced NMR changes involving Phe-87, Phe-144, and Phe-153 that support the closed conformation found in the crystal structure. The same closed conformation is observed by NMR and crystallography with a para-fluoro substituent on the 4-phenylimidazole, but a para-chloro or bromo substituent engendered a second closed conformation. An open conformation is thus favored in solution with many azole ligands, but para-substituted phenylimidazoles give rise to two closed conformations that depend on the size of the para-substituent. The results suggest that ligands selectively stabilize discrete cytochrome P450 conformational states. PMID:25670859

[Stability of physical state on compound hawthorn dropping pills].

PubMed

Zhang, Wei; Chen, Hong-Yan; Jiang, Jian-Lan

2008-11-01

To evaluate the stability of physical state with accelerate test and dropping in process before and after on compound hawthorn dropping pills. Scanning electron microscope, TG-DTA, FT-IR and XRD were used. The active components presented amorphous, tiny crystal and molecular state in dropping pills, and it had no obvious reaction between PEG 4000 and active components. With time prolonging, a little of active components changed from amorphous state to tiny crystal or molecular state. Solid dispersion improved the stability and dissolution of compound hawthorn dropping pills.

A Comparative Study of Discovery Learning Scientific Community Laboratories and Traditional Laboratories in Physics at an Independent University, Florida, U. S

NASA Astrophysics Data System (ADS)

Reinhard, Karl E.

Electric power is fully interwoven into the fabric of American life. Its loss for extended periods has profound impacts upon public safety, health and welfare. The power system has been termed the most complex machine built by man. Not surprisingly, the measures to address the range of power system downtime causes are as diverse as the causes themselves. One important arc of effort is providing power system operators with full knowledge of the system's operating state, timely warning when changing conditions threaten system stability, and tools guiding control actions to maintain stable operations. This research is motivated, in part, by the need to explore opportunities for leveraging nascent synchrophasor data streams against known power system stability challenges. Over the past half-decade, power system operators have aggressively installed large networks of phasor measurement units (PMUs) and phasor data concentrators (PDCs) across the United States and Canada. Today, the synchrophasor data network has reached a state of maturity that opens the door to useful application. This dissertation investigates power system stability along three lines of effort. The first two efforts address steady-state power system stability--specifically methods for assessing system vulnerabilities arising from the phase angle difference between two buses connected by a transmission line. The third effort investigates the information that can be gleaned from synchrophasor measurements during a system's dynamic system response to changing system conditions. The first line of investigation extends steady-state distribution factor theory. Distribution factors are computed from a known non-linear power system load flow solution. They provide a computationally light method for estimating new system conditions under different operating circumstances. Distribution factors are extremely useful for very rapidly screening the impact of unexpected changes in power system configuration--e.g. a transmission line dropping out of service due to environmental conditions. The Line Outage Angle Factor (LOAF) developed herein provides a method for fast computation of bus voltage angle changes after a line outage. The Line Outage Generator Factor (LOGF) modifies the simulated circuit topology to include synchronous machine transient reactances, enabling rapid screening of operating states in which line opening (or re-closure) risks damaging equipment. The LOAF and LOGF provide promising results in MATLAB simulation of the Western System Coordinating Council 3-Machine, 9-Bus System. The second investigative line seeks to develop a Thevenin equivalent model to be used in tandem with synchrophasor data streams to provide real-time bus angle difference information for buses connected by a transmission line. The appeal is that real-time bus angle difference information could be computed on-site and very rapidly--and significantly, independent of other network bus measurements. The results show that developing a Thevenin equivalent that provides a useful angle difference measure often works well on paper, but is challenging using actual synchrophasor data. Efforts to develop a Thevenin equivalent using Monte Carlo methods show promise, but require further investigation. The third line of effort shifts to investigate the useful information that a PMU can produce during a power system disturbance event. A synchrophasor is defined at a specific frequency, i.e. the system steady-state operating frequency. Thus a PMU produces a data stream recording power system changes progressing slower than the nominal system frequency; consequently, this is an "off-label" synchrophasor data application. The test system is a generator with electrical and mechanical controls connected by a pair of identical transmission lines to an infinite bus. The synchronous generator is modeled as a three-damper-winding synchronous machine. A MATLAB simulation was written to simulate both the full 14 dynamic state and the reduced order 11 dynamic state system models. A Real-Time Digital Simulator (RTDS) simulation emulating the test system provides the capability to produce real-time analog generator terminal waveforms to be sampled by a commercial off-the-shelf PMU to produce synchrophasor data. We find that the RTDS generated synchrophasor data stream is similar to the MATLAB reduced order model voltage and current generator terminal data in the dqo reference frame--reflecting parallel, but distinct, filtering processes.

Conformational Transition Pathways in Signaling and Enzyme Catalysis Explored by Computational Methods

NASA Astrophysics Data System (ADS)

Pachov, Dimitar V.

Biomolecules are dynamic in nature and visit a number of states while performing their biological function. However, understanding how they interconvert between functional substates is a challenging task. In this thesis, we employ enhanced computational strategies to reveal in atomistic resolution transition states and molecular mechanism along conformational pathways of the signaling protein Nitrogen Regulatory Protein C (NtrC) and the enzyme Adenylate Kinase (Adk). Targeted Molecular Dynamics (TMD) simulations and NMR experiments have previously found the active/inactive interconversion of NtrC is stabilized by non-native transient contacts. To find where along the conformational pathway they lie and probe the existence of multiple intermediates, a beyond 8mus-extensive mapping of the conformational landscape was performed by a multitude of straightforward MD simulations relaxed from the biased TMD pathway. A number of metastable states stabilized by local interactions was found to underline the conformational pathway of NtrC. Two spontaneous transitions of the last stage of the active-to-inactive conversion were identified and used in path sampling procedures to generate an ensemble of truly dynamic reactive pathways. The transition state ensemble (TSE) and mechanistic descriptors of this transition were revealed in atomic detail and verified by committor analysis. By analyzing how pressure affects the dynamics and function of two homologous Adk proteins - the P.Profundum Adk surviving at 700atm pressure in the deep sea, and the E. coli Adk that lives at ambient pressures - we indirectly obtained atomic information about the TSE of the large-amplitude rate-limiting conformational opening of the Adk lids. Guided by NMR experiments showing significantly decreased activation volumes of the piezophile compared to its mesophilic counterpart, TMD simulations revealed the formation of an extended hydrogen-bonded water network in the transition state of the piezophile that can explain the experimentally measured activation volume differences. The transition state of the conformational change was proposed to lie close to the closed state. Additionally, a number of descriptors were used to characterize the free energy landscape of the mesophile. It was found that the features of landscape are highly sensitive to the binding of different ligands, their protonation states and the presence of magnesium.

The role of nonlinear torsional contributions on the stability of flexural-torsional oscillations of open-cross section beams

NASA Astrophysics Data System (ADS)

Di Egidio, Angelo; Contento, Alessandro; Vestroni, Fabrizio

2015-12-01

An open-cross section thin-walled beam model, already developed by the authors, has been conveniently simplified while maintaining the capacity of accounting for the significant nonlinear warping effects. For a technical range of geometrical and mechanical characteristics of the beam, the response is characterized by the torsional curvature prevailing over the flexural ones. A Galerkin discretization is performed by using a suitable expansion of displacements based on shape functions. The attention is focused on the dynamic response of the beam to a harmonic force, applied at the free end of the cantilever beam. The excitation is directed along the symmetry axis of the beam section. The stability of the one-component oscillations has been investigated using the analytical model, showing the importance of the internal resonances due to the nonlinear warping coupling terms. Comparison with the results provided by a computational finite element model has been performed. The good agreement among the results of the analytical and the computational models confirms the effectiveness of the simplified model of a nonlinear open-cross section thin-walled beam and overall the important role of the warping and of the torsional elongation in the study of the one-component dynamic oscillations and their stability.

Cyber Deterrence and Stability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goychayev, Rustam; Carr, Geoffrey A.; Weise, Rachel A.

Throughout the 20th and early 21st centuries, deterrence and arms control have been cornerstones of strategic stability between the superpowers. However, the weaponization of the cyber realm by State actors and the multipolar nature of cyber conflict now undermines that stability. Strategic stability is the state in which nations believe that if they act aggressively to undermine U.S. national interests and the post-World War II liberal democratic order, the consequences will outweigh the benefits. The sense of lawlessness and lack of consequences in the cyber realm embolden States to be more aggressive in taking actions that undermine stability. Accordingly, thismore » paper examines 1) the role of deterrence and arms control in securing cyber stability, and 2) the limitations and challenges associated with these traditional national security paradigms as applied to this emerging threat domain. This paper demonstrates that many 20th-century deterrence and arms control concepts are not particularly applicable in the cyber realm. However, they are not entirely irrelevant. The United States can distill lessons learned from this rich deterrence and arms control experience to develop and deploy a strategy to advance cyber stability.« less

Synchronization of cyclic power grids: Equilibria and stability of the synchronous state

NASA Astrophysics Data System (ADS)

Xi, Kaihua; Dubbeldam, Johan L. A.; Lin, Hai Xiang

2017-01-01

Synchronization is essential for the proper functioning of power grids; we investigate the synchronous states and their stability for cyclic power grids. We calculate the number of stable equilibria and investigate both the linear and nonlinear stabilities of the synchronous state. The linear stability analysis shows that the stability of the state, determined by the smallest nonzero eigenvalue, is inversely proportional to the size of the network. We use the energy barrier to measure the nonlinear stability and calculate it by comparing the potential energy of the type-1 saddles with that of the stable synchronous state. We find that the energy barrier depends on the network size (N) in a more complicated fashion compared to the linear stability. In particular, when the generators and consumers are evenly distributed in an alternating way, the energy barrier decreases to a constant when N approaches infinity. For a heterogeneous distribution of generators and consumers, the energy barrier decreases with N. The more heterogeneous the distribution is, the stronger the energy barrier depends on N. Finally, we find that by comparing situations with equal line loads in cyclic and tree networks, tree networks exhibit reduced stability. This difference disappears in the limit of N →∞ . This finding corroborates previous results reported in the literature and suggests that cyclic (sub)networks may be applied to enhance power transfer while maintaining stable synchronous operation.

High Torque-to-Inertia Servo System for Stabilizing Sensor Systems. Candidate Systems Include Missile Guidance, Surveillance, and Tracking

DTIC Science & Technology

1980-04-01

specifications ... 3-10 25. Typical isolation curve ... 3-12 26. Servo amp/motor/load frequency response (inner gimbal) ... 4-3 27. Slave loop ( open loop...slave loop ( open loop) frequency response (inner gimbal) . . . 4-4 30. Slave loop (closed loop) frequency response (inner gimbal) ... 4-5 3 . Slave...loop inner gimbal time response ... 4-5 32. Servo amp/motor/load frequency response (outer gimbal) ... 4-6 33. Slave loop ( open loop) uncompensated

mTor Regulates Lysosomal ATP-sensitive Two-Pore Na+ Channel to Adapt to Metabolic State

PubMed Central

Navarro, Betsy; Seo, Young-jun; Aranda, Kimberly; Shi, Lucy; Battaglia-Hsu, Shyuefang; Nissim, Itzhak; Clapham, David E.; Ren, Dejian

2014-01-01

SUMMARY Survival in the wild requires organismal adaptations to the availability of nutrients. Endosomes and lysosomes are key intracellular organelles that couple nutrition and metabolic status to cellular responses, but how they detect cytosolic ATP levels is not well understood. Here we identify an endolysosomal ATP-sensitive Na+ channel (lysoNaATP). The channel is a complex formed by Two-Pore Channels (TPC1 and TPC2), ion channels previously thought to be gated by nicotinic acid adenine dinucleotide phosphate (NAADP), and the mammalian target of rapamycin (mTOR). The channel complex detects nutrient status, becomes constitutively open upon nutrient removal and mTOR translocation off the lysosomal membrane, and controls the lysosome's membrane potential, pH stability, and the amino acid homeostasis. Mutant mice lacking lysoNaATP have much reduced exercise endurance after fasting. Thus, TPCs are a new ion channel family that couple the cell's metabolic state to endolysosomal function and are crucial for physical endurance during food restriction. PMID:23394946

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Hui; Chen, Yan; Hood, Zachary D.

All-solid-state sodium batteries, using abundant sodium resources and solid electrolyte, hold much promise for safe, low cost, large-scale energy storage. To realize the practical applications of all solid Na-ion batteries at ambient temperature, the solid electrolytes are required to have high ionic conductivity, chemical stability, and ideally, easy preparation. Ceramic electrolytes show higher ionic conductivity than polymers, but they often require extremely stringent synthesis conditions, either high sintering temperature above 1000 C or long-time, low-energy ball milling. Herein, we report a new synthesis route for Na 3SbS 4, a novel Na superionic conductor that needs much lower processing temperature belowmore » 200 C and easy operation. This new solid electrolyte exhibits a remarkable ionic conductivity of 1.05 mS cm -1 at 25 °C and is chemically stable under ambient atmosphere. In conclusion, this synthesis process provides unique insight into the current state-of-the-art solid electrolyte preparation and opens new possibilities for the design of similar materials.« less

Strain-Engineered Oxygen Vacancies in CaMnO3 Thin Films.

PubMed

Chandrasena, Ravini U; Yang, Weibing; Lei, Qingyu; Delgado-Jaime, Mario U; Wijesekara, Kanishka D; Golalikhani, Maryam; Davidson, Bruce A; Arenholz, Elke; Kobayashi, Keisuke; Kobata, Masaaki; de Groot, Frank M F; Aschauer, Ulrich; Spaldin, Nicola A; Xi, Xiaoxing; Gray, Alexander X

2017-02-08

We demonstrate a novel pathway to control and stabilize oxygen vacancies in complex transition-metal oxide thin films. Using atomic layer-by-layer pulsed laser deposition (PLD) from two separate targets, we synthesize high-quality single-crystalline CaMnO 3 films with systematically varying oxygen vacancy defect formation energies as controlled by coherent tensile strain. The systematic increase of the oxygen vacancy content in CaMnO 3 as a function of applied in-plane strain is observed and confirmed experimentally using high-resolution soft X-ray absorption spectroscopy (XAS) in conjunction with bulk-sensitive hard X-ray photoemission spectroscopy (HAXPES). The relevant defect states in the densities of states are identified and the vacancy content in the films quantified using the combination of first-principles theory and core-hole multiplet calculations with holistic fitting. Our findings open up a promising avenue for designing and controlling new ionically active properties and functionalities of complex transition-metal oxides via strain-induced oxygen-vacancy formation and ordering.

Robust and adjustable C-shaped electron vortex beams

NASA Astrophysics Data System (ADS)

Mousley, M.; Thirunavukkarasu, G.; Babiker, M.; Yuan, J.

2017-06-01

Wavefront engineering is an important quantum technology, often applied to the production of states carrying orbital angular momentum (OAM). Here, we demonstrate the design and production of robust C-shaped beam states carrying OAM, in which the usual doughnut-shaped transverse intensity structure of the vortex beam contains an adjustable gap. We find that the presence of the vortex lines in the core of the beam is crucial for maintaining the stability of the C-shape structure during beam propagation. The topological charge of the vortex core controls mainly the size of the C-shape, while its opening angle is related to the presence of vortex-anti-vortex loops. We demonstrate the generation and characterisation of C-shaped electron vortex beams, although the result is equally applicable to other quantum waves. C-shaped electron vortex beams have potential applications in nanoscale fabrication of planar split-ring structures and three-dimensional chiral structures as well as depth sensing and magnetic field determination through rotation of the gap in the C-shape.

Large interdomain rearrangement triggered by suppression of micro- to millisecond dynamics in bacterial Enzyme I

NASA Astrophysics Data System (ADS)

Venditti, Vincenzo; Tugarinov, Vitali; Schwieters, Charles D.; Grishaev, Alexander; Clore, G. Marius

2015-01-01

Enzyme I (EI), the first component of the bacterial phosphotransfer signal transduction system, undergoes one of the largest substrate-induced interdomain rearrangements documented to date. Here we characterize the perturbations generated by two small molecules, the natural substrate phosphoenolpyruvate and the inhibitor α-ketoglutarate, on the structure and dynamics of EI using NMR, small-angle X-ray scattering and biochemical techniques. The results indicate unambiguously that the open-to-closed conformational switch of EI is triggered by complete suppression of micro- to millisecond dynamics within the C-terminal domain of EI. Indeed, we show that a ligand-induced transition from a dynamic to a more rigid conformational state of the C-terminal domain stabilizes the interface between the N- and C-terminal domains observed in the structure of the closed state, thereby promoting the resulting conformational switch and autophosphorylation of EI. The mechanisms described here may be common to several other multidomain proteins and allosteric systems.

Small firm self-insurance under the Affordable Care Act.

PubMed

Buettgens, Matthew; Blumberg, Linda J

2012-11-01

The Affordable Care Act changes the small-group insurance market substan­tially beginning in 2014, but most changes do not apply to self-insured plans. This exemp­tion provides an opening for small employers with healthier workers to avoid broader sharing of health care risk, isolating higher-cost groups in the fully insured market. Private stop-loss or reinsurance plans can mediate the risk of self-insurance for small employ­ers, facilitating the decision to self-insure. We simulate small-employer coverage decisions under the law and find that low-risk stop-loss policies lead to higher premiums in the fully insured small-group market. Average single premiums would be up to 25 percent higher, if stop-loss insurance with no additional risk to employers than fully insuring is allowed--an option available in most states absent further government action. Regulation of stop-loss at the federal or state level can, however, prevent such adverse selection and increase stabil­ity in small-group insurance coverage.

Big Five personality stability, change, and codevelopment across adolescence and early adulthood.

PubMed

Borghuis, Jeroen; Denissen, Jaap J A; Oberski, Daniel; Sijtsma, Klaas; Meeus, Wim H J; Branje, Susan; Koot, Hans M; Bleidorn, Wiebke

2017-10-01

Using data from 2 large and overlapping cohorts of Dutch adolescents, containing up to 7 waves of longitudinal data each (N = 2,230), the present study examined Big Five personality trait stability, change, and codevelopment in friendship and sibling dyads from age 12 to 22. Four findings stand out. First, the 1-year rank-order stability of personality traits was already substantial at age 12, increased strongly from early through middle adolescence, and remained rather stable during late adolescence and early adulthood. Second, we found linear mean-level increases in girls' conscientiousness, in both genders' agreeableness, and in boys' openness. We also found temporal dips (i.e., U-shaped mean-level change) in boys' conscientiousness and in girls' emotional stability and extraversion. We did not find a mean-level change in boys' emotional stability and extraversion, and we found an increase followed by a decrease in girls' openness. Third, adolescents showed substantial individual differences in the degree and direction of personality trait changes, especially with respect to conscientiousness, extraversion, and emotional stability. Fourth, we found no evidence for personality trait convergence, for correlated change, or for time-lagged partner effects in dyadic friendship and sibling relationships. This lack of evidence for dyadic codevelopment suggests that adolescent friends and siblings tend to change independently from each other and that their shared experiences do not have uniform influences on their personality traits. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Toward elucidating the heat activation mechanism of the TRPV1 channel gating by molecular dynamics simulation

PubMed Central

Wen, Han; Qin, Feng; Zheng, Wenjun

2016-01-01

As a key cellular sensor, the TRPV1 cation channel undergoes a gating transition from a closed state to an open state in response to various physical and chemical stimuli including noxious heat. Despite years of study, the heat activation mechanism of TRPV1 gating remains enigmatic at the molecular level. Toward elucidating the structural and energetic basis of TRPV1 gating, we have performed molecular dynamics (MD) simulations (with cumulative simulation time of 3 μs), starting from the high-resolution closed and open structures of TRPV1 solved by cryo-electron microscopy. In the closed-state simulations at 30°C, we observed a stably closed channel constricted at the lower gate (near residue I679), while the upper gate (near residues G643 and M644) is dynamic and undergoes flickery opening/closing. In the open-state simulations at 60°C, we found higher conformational variation consistent with a large entropy increase required for the heat activation, and both the lower and upper gates are dynamic with transient opening/closing. Through ensemble-based structural analyses of the closed state vs. the open state, we revealed pronounced closed-to-open conformational changes involving the membrane proximal domain (MPD) linker, the outer pore, and the TRP helix, which are accompanied by breaking/forming of a network of closed/open-state specific hydrogen bonds. By comparing the closed-state simulations at 30°C and 60°C, we observed heat-activated conformational changes in the MPD linker, the outer pore, and the TRP helix that resemble the closed-to-open conformational changes, along with partial formation of the open-state specific hydrogen bonds. Some of the residues involved in the above key hydrogen bonds were validated by previous mutational studies. Taken together, our MD simulations have offered rich structural and dynamic details beyond the static structures of TRPV1, and promising targets for future mutagenesis and functional studies of the TRPV1 channel. PMID:27699868

Inward open characterization of EmrD transporter with molecular dynamics simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tan, Xianwei; Wang, Boxiong, E-mail: boxiong_wang@yahoo.com

EmrD is a member of the multidrug resistance exporter family. Up to now, little is known about the structural dynamics that underline the function of the EmrD protein in inward-facing open state and how the EmrD transits from an occluded state to an inward open state. For the first time the article applied the AT simulation to investigate the membrane transporter protein EmrD, and described the dynamic features of the whole protein, the domain, the helices, and the amino acid residues during an inward-open process from its occluded state. The gradual inward-open process is different from the current model ofmore » rigid-body domain motion in alternating-access mechanism. Simulation results show that the EmrD inward-open conformational fluctuation propagates from a C-terminal domain to an N-terminal domain via the linker region during the transition from its occluded state. The conformational fluctuation of the C-terminal domain is larger than that of the N-terminal domain. In addition, it is observed that the helices exposed to the surrounding membrane show a higher level of flexibility than the other regions, and the protonated E227 plays a key role in the transition from the occluded to the open state. -- Highlights: •This study described the dynamic features of the whole EmrD protein, during an inward-open process from its occluded state. •The EmrD inward-open conformational fluctuation propagates from a C-terminal domain to an N-terminal domain via the linker region during the transition from its occluded state. •The conformational fluctuation of the C-terminal domain is larger than that of the N-terminal domain. •The protonated E227 plays a key role in the transition from the occluded to the open state.« less

Perisaccadic Updating of Visual Representations and Attentional States: Linking Behavior and Neurophysiology

PubMed Central

Marino, Alexandria C.; Mazer, James A.

2016-01-01

During natural vision, saccadic eye movements lead to frequent retinal image changes that result in different neuronal subpopulations representing the same visual feature across fixations. Despite these potentially disruptive changes to the neural representation, our visual percept is remarkably stable. Visual receptive field remapping, characterized as an anticipatory shift in the position of a neuron’s spatial receptive field immediately before saccades, has been proposed as one possible neural substrate for visual stability. Many of the specific properties of remapping, e.g., the exact direction of remapping relative to the saccade vector and the precise mechanisms by which remapping could instantiate stability, remain a matter of debate. Recent studies have also shown that visual attention, like perception itself, can be sustained across saccades, suggesting that the attentional control system can also compensate for eye movements. Classical remapping could have an attentional component, or there could be a distinct attentional analog of visual remapping. At this time we do not yet fully understand how the stability of attentional representations relates to perisaccadic receptive field shifts. In this review, we develop a vocabulary for discussing perisaccadic shifts in receptive field location and perisaccadic shifts of attentional focus, review and synthesize behavioral and neurophysiological studies of perisaccadic perception and perisaccadic attention, and identify open questions that remain to be experimentally addressed. PMID:26903820

A High Capacity, Good Safety and Low Cost Na2FeSiO4-Based Cathode for Rechargeable Sodium-Ion Battery.

PubMed

Guan, Wenhao; Pan, Bin; Zhou, Peng; Mi, Jinxiao; Zhang, Dan; Xu, Jiacheng; Jiang, Yinzhu

2017-07-12

Rechargeable sodium-ion batteries (SIBs) are receiving intense interest because the resource abundance of sodium and its lithium-like chemistry make them low cost alternatives to the prevailing lithium-ion batteries in large-scale energy storage devices. Two typical classes of materials including transition metal oxides and polyanion compounds have been under intensive investigation as cathodes for SIBs; however, they are still limited to poor stability or low capacity of the state-of-art. Herein, we report a low cost carbon-coated Na 2 FeSiO 4 with simultaneous high capacity and good stability, owing to the highly pure Na-rich triclinic phase and the carbon-incorporated three-dimensional network morphology. The present carbon-coated Na 2 FeSiO 4 demonstrates the highest reversible capacity of 181.0 mAh g -1 to date with multielectron redox reaction that occurred among various polyanion-based SIBs cathodes, which achieves a close-to-100% initial Coulombic efficiency and a stable cycling with 88% capacity retention up to 100 cycles. In addition, such an electrode shows excellent stability either charged at a high voltage of 4.5 V or heated up to 800 °C. The present work might open up the possibility for developing high capacity, good safety and low cost polyanion-based cathodes for rechargeable SIBs.

CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function.

PubMed

Krüger, Dennis M; Rathi, Prakash Chandra; Pfleger, Christopher; Gohlke, Holger

2013-07-01

The Constraint Network Analysis (CNA) web server provides a user-friendly interface to the CNA approach developed in our laboratory for linking results from rigidity analyses to biologically relevant characteristics of a biomolecular structure. The CNA web server provides a refined modeling of thermal unfolding simulations that considers the temperature dependence of hydrophobic tethers and computes a set of global and local indices for quantifying biomacromolecular stability. From the global indices, phase transition points are identified where the structure switches from a rigid to a floppy state; these phase transition points can be related to a protein's (thermo-)stability. Structural weak spots (unfolding nuclei) are automatically identified, too; this knowledge can be exploited in data-driven protein engineering. The local indices are useful in linking flexibility and function and to understand the impact of ligand binding on protein flexibility. The CNA web server robustly handles small-molecule ligands in general. To overcome issues of sensitivity with respect to the input structure, the CNA web server allows performing two ensemble-based variants of thermal unfolding simulations. The web server output is provided as raw data, plots and/or Jmol representations. The CNA web server, accessible at http://cpclab.uni-duesseldorf.de/cna or http://www.cnanalysis.de, is free and open to all users with no login requirement.

CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function

PubMed Central

Krüger, Dennis M.; Rathi, Prakash Chandra; Pfleger, Christopher; Gohlke, Holger

2013-01-01

The Constraint Network Analysis (CNA) web server provides a user-friendly interface to the CNA approach developed in our laboratory for linking results from rigidity analyses to biologically relevant characteristics of a biomolecular structure. The CNA web server provides a refined modeling of thermal unfolding simulations that considers the temperature dependence of hydrophobic tethers and computes a set of global and local indices for quantifying biomacromolecular stability. From the global indices, phase transition points are identified where the structure switches from a rigid to a floppy state; these phase transition points can be related to a protein’s (thermo-)stability. Structural weak spots (unfolding nuclei) are automatically identified, too; this knowledge can be exploited in data-driven protein engineering. The local indices are useful in linking flexibility and function and to understand the impact of ligand binding on protein flexibility. The CNA web server robustly handles small-molecule ligands in general. To overcome issues of sensitivity with respect to the input structure, the CNA web server allows performing two ensemble-based variants of thermal unfolding simulations. The web server output is provided as raw data, plots and/or Jmol representations. The CNA web server, accessible at http://cpclab.uni-duesseldorf.de/cna or http://www.cnanalysis.de, is free and open to all users with no login requirement. PMID:23609541

Role of the pH in state-dependent blockade of hERG currents

NASA Astrophysics Data System (ADS)

Wang, Yibo; Guo, Jiqing; Perissinotti, Laura L.; Lees-Miller, James; Teng, Guoqi; Durdagi, Serdar; Duff, Henry J.; Noskov, Sergei Yu.

2016-10-01

Mutations that reduce inactivation of the voltage-gated Kv11.1 potassium channel (hERG) reduce binding for a number of blockers. State specific block of the inactivated state of hERG block may increase risks of drug-induced Torsade de pointes. In this study, molecular simulations of dofetilide binding to the previously developed and experimentally validated models of the hERG channel in open and open-inactivated states were combined with voltage-clamp experiments to unravel the mechanism(s) of state-dependent blockade. The computations of the free energy profiles associated with the drug block to its binding pocket in the intra-cavitary site display startling differences in the open and open-inactivated states of the channel. It was also found that drug ionization may play a crucial role in preferential targeting to the open-inactivated state of the pore domain. pH-dependent hERG blockade by dofetilie was studied with patch-clamp recordings. The results show that low pH increases the extent and speed of drug-induced block. Both experimental and computational findings indicate that binding to the open-inactivated state is of key importance to our understanding of the dofetilide’s mode of action.

Fuel injection system and method of operating the same for an engine

DOEpatents

Topinka, Jennifer Ann [Niskayuna, NY; DeLancey, James Peter [Corinth, NY; Primus, Roy James [Niskayuna, NY; Pintgen, Florian Peter [Niskayuna, NY

2011-02-15

A fuel injector is coupled to an engine. The fuel injector includes an injection opening configured to vary in cross-section between a open state and a fully closed state. The fuel injector is configured to provide a plurality of discrete commanded fuel injections into an engine cylinder by modulating the size of the injection opening without completely closing the opening to the fully closed state.

Eighty-five million years of Pacific Ocean gyre ecosystem structure: long-term stability marked by punctuated change.

PubMed

Sibert, Elizabeth; Norris, Richard; Cuevas, Jose; Graves, Lana

2016-05-25

While the history of taxonomic diversification in open ocean lineages of ray-finned fish and elasmobranchs is increasingly known, the evolution of their roles within the open ocean ecosystem remains poorly understood. To assess the relative importance of these groups through time, we measured the accumulation rate of microfossil fish teeth and elasmobranch dermal denticles (ichthyoliths) in deep-sea sediment cores from the North and South Pacific gyres over the past 85 million years (Myr). We find three distinct and stable open ocean ecosystem structures, each defined by the relative and absolute abundance of elasmobranch and ray-finned fish remains. The Cretaceous Ocean (pre-66 Ma) was characterized by abundant elasmobranch denticles, but low abundances of fish teeth. The Palaeogene Ocean (66-20 Ma), initiated by the Cretaceous/Palaeogene mass extinction, had nearly four times the abundance of fish teeth compared with elasmobranch denticles. This Palaeogene Ocean structure remained stable during the Eocene greenhouse (50 Ma) and the Eocene-Oligocene glaciation (34 Ma), despite large changes in the overall accumulation of both groups during those intervals, suggesting that climate change is not a primary driver of ecosystem structure. Dermal denticles virtually disappeared from open ocean ichthyolith assemblages approximately 20 Ma, while fish tooth accumulation increased dramatically in variability, marking the beginning of the Modern Ocean. Together, these results suggest that open ocean fish community structure is stable on long timescales, independent of total production and climate change. The timing of the abrupt transitions between these states suggests that the transitions may be due to interactions with other, non-preserved pelagic consumer groups. © 2016 The Author(s).

Eighty-five million years of Pacific Ocean gyre ecosystem structure: long-term stability marked by punctuated change

PubMed Central

Norris, Richard; Cuevas, Jose; Graves, Lana

2016-01-01

While the history of taxonomic diversification in open ocean lineages of ray-finned fish and elasmobranchs is increasingly known, the evolution of their roles within the open ocean ecosystem remains poorly understood. To assess the relative importance of these groups through time, we measured the accumulation rate of microfossil fish teeth and elasmobranch dermal denticles (ichthyoliths) in deep-sea sediment cores from the North and South Pacific gyres over the past 85 million years (Myr). We find three distinct and stable open ocean ecosystem structures, each defined by the relative and absolute abundance of elasmobranch and ray-finned fish remains. The Cretaceous Ocean (pre-66 Ma) was characterized by abundant elasmobranch denticles, but low abundances of fish teeth. The Palaeogene Ocean (66–20 Ma), initiated by the Cretaceous/Palaeogene mass extinction, had nearly four times the abundance of fish teeth compared with elasmobranch denticles. This Palaeogene Ocean structure remained stable during the Eocene greenhouse (50 Ma) and the Eocene–Oligocene glaciation (34 Ma), despite large changes in the overall accumulation of both groups during those intervals, suggesting that climate change is not a primary driver of ecosystem structure. Dermal denticles virtually disappeared from open ocean ichthyolith assemblages approximately 20 Ma, while fish tooth accumulation increased dramatically in variability, marking the beginning of the Modern Ocean. Together, these results suggest that open ocean fish community structure is stable on long timescales, independent of total production and climate change. The timing of the abrupt transitions between these states suggests that the transitions may be due to interactions with other, non-preserved pelagic consumer groups. PMID:27194702

Dynamical Stability of Imaged Planetary Systems in Formation: Application to HL Tau

NASA Astrophysics Data System (ADS)

Tamayo, D.; Triaud, A. H. M. J.; Menou, K.; Rein, H.

2015-06-01

A recent Atacama Large Millimeter/Submillimeter Array image revealed several concentric gaps in the protoplanetary disk surrounding the young star HL Tau. We consider the hypothesis that these gaps are carved by planets, and present a general framework for understanding the dynamical stability of such systems over typical disk lifetimes, providing estimates for the maximum planetary masses. We collect these easily evaluated constraints into a workflow that can help guide the design and interpretation of new observational campaigns and numerical simulations of gap opening in such systems. We argue that the locations of resonances should be significantly shifted in massive disks like HL Tau, and that theoretical uncertainties in the exact offset, together with observational errors, imply a large uncertainty in the dynamical state and stability in such disks. This presents an important barrier to using systems like HL Tau as a proxy for the initial conditions following planet formation. An important observational avenue to breaking this degeneracy is to search for eccentric gaps, which could implicate resonantly interacting planets. Unfortunately, massive disks like HL Tau should induce swift pericenter precession that would smear out any such eccentric features of planetary origin. This motivates pushing toward more typical, less massive disks. For a nominal non-resonant model of the HL Tau system with five planets, we find a maximum mass for the outer three bodies of approximately 2 Neptune masses. In a resonant configuration, these planets can reach at least the mass of Saturn. The inner two planets’ masses are unconstrained by dynamical stability arguments.

State-of-the-Art in Open Courseware Initiatives Worldwide

ERIC Educational Resources Information Center

Vladoiu, Monica

2011-01-01

We survey here the state-of-the-art in open courseware initiatives worldwide. First, the MIT OpenCourseWare project is overviewed, as it has been the real starting point of the OCW movement. Usually, open courseware refers to a free and open digital publication of high quality university level educational materials that are organized as courses,…

Treatment of inherently unstable open or infected fractures by open wound management and external skeletal fixation.

PubMed

Ness, M G

2006-02-01

To assess the use of external skeletal fixation with open wound management for the treatment of inherently unstable open or infected fractures in dogs. A retrospective review of 10 cases. Fracture stabilisation and wound management required only a single anaesthetic, and despite the challenging nature of these injuries, the final outcome was acceptable or good in every case. However, minor complications associated with the fixator pins were quite common, and two dogs developed complications which required additional surgery. Open management of wounds, even when bone was exposed, proved to be an effective technique, and external skeletal fixators were usually effective at maintaining stability throughout an inevitably extended fracture healing period.

Thermodynamic System Drift in Protein Evolution

PubMed Central

Hart, Kathryn M.; Harms, Michael J.; Schmidt, Bryan H.; Elya, Carolyn; Thornton, Joseph W.; Marqusee, Susan

2014-01-01

Proteins from thermophiles are generally more thermostable than their mesophilic homologs, but little is known about the evolutionary process driving these differences. Here we attempt to understand how the diverse thermostabilities of bacterial ribonuclease H1 (RNH) proteins evolved. RNH proteins from Thermus thermophilus (ttRNH) and Escherichia coli (ecRNH) share similar structures but differ in melting temperature (Tm) by 20°C. ttRNH's greater stability is caused in part by the presence of residual structure in the unfolded state, which results in a low heat capacity of unfolding (ΔCp) relative to ecRNH. We first characterized RNH proteins from a variety of extant bacteria and found that Tm correlates with the species' growth temperatures, consistent with environmental selection for stability. We then used ancestral sequence reconstruction to statistically infer evolutionary intermediates along lineages leading to ecRNH and ttRNH from their common ancestor, which existed approximately 3 billion years ago. Finally, we synthesized and experimentally characterized these intermediates. The shared ancestor has a melting temperature between those of ttRNH and ecRNH; the Tms of intermediate ancestors along the ttRNH lineage increased gradually over time, while the ecRNH lineage exhibited an abrupt drop in Tm followed by relatively little change. To determine whether the underlying mechanisms for thermostability correlate with the changes in Tm, we measured the thermodynamic basis for stabilization—ΔCp and other thermodynamic parameters—for each of the ancestors. We observed that, while the Tm changes smoothly, the mechanistic basis for stability fluctuates over evolutionary time. Thus, even while overall stability appears to be strongly driven by selection, the proteins explored a wide variety of mechanisms of stabilization, a phenomenon we call “thermodynamic system drift.” This suggests that even on lineages with strong selection to increase stability, proteins have wide latitude to explore sequence space, generating biophysical diversity and potentially opening new evolutionary pathways. PMID:25386647

Probing Gαi1 Protein Activation at Single Amino Acid Resolution

PubMed Central

Sun, Dawei; Maeda, Shoji; Matkovic, Milos; Mendieta, Sandro; Mayer, Daniel; Dawson, Roger; Schertler, Gebhard F.X.; Madan Babu, M.; Veprintsev, Dmitry B.

2016-01-01

We present comprehensive single amino acid resolution maps of the residues stabilising the human Gαi1 subunit in nucleotide- and receptor-bound states. We generated these maps by measuring the effects of alanine mutations on the stability of Gαi1 and of the rhodopsin-Gαi1 complex. We identified stabilization clusters in the GTPase and helical domains responsible for structural integrity and the conformational changes associated with activation. In activation cluster I, helices α1 and α5 pack against strands β1-3 to stabilize the nucleotide-bound states. In the receptor-bound state, these interactions are replaced by interactions between α5 and strands β4-6. Key residues in this cluster are Y320, crucial for the stabilization of the receptor-bound state, and F336, which stabilizes nucleotide-bound states. Destabilization of helix α1, caused by rearrangement of this activation cluster, leads to the weakening of the inter-domain interface and release of GDP. PMID:26258638

Stability and sensitivity of ABR flow control protocols

NASA Astrophysics Data System (ADS)

Tsai, Wie K.; Kim, Yuseok; Chiussi, Fabio; Toh, Chai-Keong

1998-10-01

This tutorial paper surveys the important issues in stability and sensitivity analysis of ABR flow control of ATM networks. THe stability and sensitivity issues are formulated in a systematic framework. Four main cause of instability in ABR flow control are identified: unstable control laws, temporal variations of available bandwidth with delayed feedback control, misbehaving components, and interactions between higher layer protocols and ABR flow control. Popular rate-based ABR flow control protocols are evaluated. Stability and sensitivity is shown to be the fundamental issues when the network has dynamically-varying bandwidth. Simulation result confirming the theoretical studies are provided. Open research problems are discussed.

Florida creativity index scores, conservatism, and openness in 268 U.S. regions.

PubMed

McCann, Stewart J H

2011-02-01

This study assessed whether Florida's Creativity Index (2002) scores for 268 U.S. regions were related to levels of conservatism and openness in the states in which the regions were situated. State conservatism was measured as the percentage voting for Bush in 2000. State openness z scores were taken from a survey of 619,397 residents (Rentfrow, Gosling, & Potter, 2008). Creativity scores correlated negatively with conservatism (r = -.22) and positively with openness (r = .23). Regression showed that the two predictors accounted jointly (7%) and separately for significant variance in the Creativity Index. The findings contribute evidence for the construct validity of Florida's composite Creativity Index and some, albeit moderate to weak, support of the Rentfrow, et al. conclusion that state-aggregated openness reflects the unconventionality, tolerance, and creativity of a state.

Net Surface Flux Budget Over Tropical Oceans Estimated from the Tropical Rainfall Measuring Mission (TRMM)

NASA Astrophysics Data System (ADS)

Fan, Tai-Fang

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Magneto - Optical Imaging of Superconducting MgB2 Thin Films

NASA Astrophysics Data System (ADS)

Hummert, Stephanie Maria

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Boron Carbide Filled Neutron Shielding Textile Polymers

NASA Astrophysics Data System (ADS)

Manzlak, Derrick Anthony

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Parallel Unstructured Grid Generation for Complex Real-World Aerodynamic Simulations

NASA Astrophysics Data System (ADS)

Zagaris, George

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Polymeric Radiation Shielding for Applications in Space: Polyimide Synthesis and Modeling of Multi-Layered Polymeric Shields

NASA Astrophysics Data System (ADS)

Schiavone, Clinton Cleveland

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Processing and Conversion of Algae to Bioethanol

NASA Astrophysics Data System (ADS)

Kampfe, Sara Katherine

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

The Development of the CALIPSO LiDAR Simulator

NASA Astrophysics Data System (ADS)

Powell, Kathleen A.

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Exploring a Novel Approach to Technical Nuclear Forensics Utilizing Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Peeke, Richard Scot

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Modeling of Critically-Stratified Gravity Flows: Application to the Eel River Continental Shelf, Northern California

NASA Astrophysics Data System (ADS)

Scully, Malcolm E.

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Production of Cyclohexylene-Containing Diamines in Pursuit of Novel Radiation Shielding Materials

NASA Astrophysics Data System (ADS)

Bate, Norah G.

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Development of Boron-Containing Polyimide Materials and Poly(arylene Ether)s for Radiation Shielding

NASA Astrophysics Data System (ADS)

Collins, Brittani May

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Magnetization Dynamics and Anisotropy in Ferromagnetic/Antiferromagnetic Ni/NiO Bilayers

NASA Astrophysics Data System (ADS)

Petersen, Andreas

We begin by defining the concept of `open' Markov processes, which are continuous-time Markov chains where probability can flow in and out through certain `boundary' states. We study open Markov processes which in the absence of such boundary flows admit equilibrium states satisfying detailed balance, meaning that the net flow of probability vanishes between all pairs of states. External couplings which fix the probabilities of boundary states can maintain such systems in non-equilibrium steady states in which non-zero probability currents flow. We show that these non-equilibrium steady states minimize a quadratic form which we call 'dissipation.' This is closely related to Prigogine's principle of minimum entropy production. We bound the rate of change of the entropy of a driven non-equilibrium steady state relative to the underlying equilibrium state in terms of the flow of probability through the boundary of the process. We then consider open Markov processes as morphisms in a symmetric monoidal category by splitting up their boundary states into certain sets of `inputs' and `outputs.' Composition corresponds to gluing the outputs of one such open Markov process onto the inputs of another so that the probability flowing out of the first process is equal to the probability flowing into the second. Tensoring in this category corresponds to placing two such systems side by side. We construct a `black-box' functor characterizing the behavior of an open Markov process in terms of the space of possible steady state probabilities and probability currents along the boundary. The fact that this is a functor means that the behavior of a composite open Markov process can be computed by composing the behaviors of the open Markov processes from which it is composed. We prove a similar black-boxing theorem for reaction networks whose dynamics are given by the non-linear rate equation. Along the way we describe a more general category of open dynamical systems where composition corresponds to gluing together open dynamical systems.

Population Pressure and the Future of Saudi State Stability

DTIC Science & Technology

2008-12-01

Political stability in Saudi Arabia is a key strategic concern of the United States and the international community. As the largest producer of oil...will likely be able to maintain political stability in the foreseeable future. While we conclude that Saudi Arabia will not face revolutionary

Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase.

PubMed

Onuk, Emre; Badger, John; Wang, Yu Jing; Bardhan, Jaydeep; Chishti, Yasmin; Akcakaya, Murat; Brooks, Dana H; Erdogmus, Deniz; Minh, David D L; Makowski, Lee

2017-08-29

Crystal structures of adenylate kinase (AdK) from Escherichia coli capture two states: an "open" conformation (apo) obtained in the absence of ligands and a "closed" conformation in which ligands are bound. Other AdK crystal structures suggest intermediate conformations that may lie on the transition pathway between these two states. To characterize the transition from open to closed states in solution, X-ray solution scattering data were collected from AdK in the apo form and with progressively increasing concentrations of five different ligands. Scattering data from apo AdK are consistent with scattering predicted from the crystal structure of AdK in the open conformation. In contrast, data from AdK samples saturated with Ap5A do not agree with that calculated from AdK in the closed conformation. Using cluster analysis of available structures, we selected representative structures in five conformational states: open, partially open, intermediate, partially closed, and closed. We used these structures to estimate the relative abundances of these states for each experimental condition. X-ray solution scattering data obtained from AdK with AMP are dominated by scattering from AdK in the open conformation. For AdK in the presence of high concentrations of ATP and ADP, the conformational ensemble shifts to a mixture of partially open and closed states. Even when AdK is saturated with Ap5A, a significant proportion of AdK remains in a partially open conformation. These results are consistent with an induced-fit model in which the transition of AdK from an open state to a closed state is initiated by ATP binding.

On the temporal stability of personality: evidence for differential stability and the role of life experiences.

PubMed

Vaidya, Jatin G; Gray, Elizabeth K; Haig, Jeffrey; Watson, David

2002-12-01

The authors investigated the stability of personality and trait affect in young adults. In Studies 1 and 2, young adults were retested on a Big Five personality measure and a trait affect inventory over a 2.5-year and a 2-month period, respectively. Results from Study 1 point to positive mean-level changes; participants scored higher on Extraversion, Openness, Agreeableness, and Conscientiousness at Time 2. Affectively, participants experienced less negative affect and more positive affect at Time 2. Results from both retests provide clear evidence of differential stability. Affective traits were consistently less stable than the Big Five. Other analyses suggest that life events influence the stability of affective traits more than the Big Five.

Performance constraints and compensation for teleoperation with delay

NASA Technical Reports Server (NTRS)

Mclaughlin, J. S.; Staunton, B. D.

1989-01-01

A classical control perspective is used to characterize performance constraints and evaluate compensation techniques for teleoperation with delay. Use of control concepts such as open and closed loop performance, stability, and bandwidth yield insight to the delay problem. Teleoperator performance constraints are viewed as an open loop time delay lag and as a delay-induced closed loop bandwidth constraint. These constraints are illustrated with a simple analytical tracking example which is corroborated by a real time, 'man-in-the-loop' tracking experiment. The experiment also provides insight to those controller characteristics which are unique to a human operator. Predictive displays and feedforward commands are shown to provide open loop compensation for delay lag. Low pass filtering of telemetry or feedback signals is interpreted as closed loop compensation used to maintain a sufficiently low bandwidth for stability. A new closed loop compensation approach is proposed that uses a reactive (or force feedback) hand controller to restrict system bandwidth by impeding operator inputs.

All-Optical Cantilever-Enhanced Photoacoustic Spectroscopy in the Open Environment

NASA Astrophysics Data System (ADS)

Wei, Wei; Zhu, Yong; Lin, Cheng; Tian, Li; Xu, Zhuwen; Nong, Jinpeng

2015-06-01

A novel all-optical cantilever-enhanced photoacoustic spectroscopy technique for trace gas detection in the open environment is proposed. A cantilever is set off-beam to "listen to" the photoacoustic signal, and an improved quadrature-point stabilization Fabry-Perot demodulation unit is used to pick up the vibration signal of the acoustic transducer instead of a complicated Michelson interferometer. The structure parameters of the cantilever are optimized to make the sensing system work more stably and reliably using a finite element method, which is then fabricated by surface micro-machining technology. Finally, related experiments are carried out to detect the absorption of water vapor at one atmosphere in the open environment. It was found that the normalized noise-equivalent absorption coefficient obtained by a traditional Fabry-Perot demodulation unit is , while that by a quadrature- point stabilization Fabry-Perot demodulation unit is , which indicates that the sensitivity is increased by a factor of 3.1 using improved cantilever-enhanced photoacoustic spectroscopy.

Cdt1 stabilizes an open MCM ring for helicase loading.

PubMed

Frigola, Jordi; He, Jun; Kinkelin, Kerstin; Pye, Valerie E; Renault, Ludovic; Douglas, Max E; Remus, Dirk; Cherepanov, Peter; Costa, Alessandro; Diffley, John F X

2017-06-23

ORC, Cdc6 and Cdt1 act together to load hexameric MCM, the motor of the eukaryotic replicative helicase, into double hexamers at replication origins. Here we show that Cdt1 interacts with MCM subunits Mcm2, 4 and 6, which both destabilizes the Mcm2-5 interface and inhibits MCM ATPase activity. Using X-ray crystallography, we show that Cdt1 contains two winged-helix domains in the C-terminal half of the protein and a catalytically inactive dioxygenase-related N-terminal domain, which is important for MCM loading, but not for subsequent replication. We used these structures together with single-particle electron microscopy to generate three-dimensional models of MCM complexes. These show that Cdt1 stabilizes MCM in a left-handed spiral open at the Mcm2-5 gate. We propose that Cdt1 acts as a brace, holding MCM open for DNA entry and bound to ATP until ORC-Cdc6 triggers ATP hydrolysis by MCM, promoting both Cdt1 ejection and MCM ring closure.

Cdt1 stabilizes an open MCM ring for helicase loading

PubMed Central

Frigola, Jordi; He, Jun; Kinkelin, Kerstin; Pye, Valerie E.; Renault, Ludovic; Douglas, Max E.; Remus, Dirk; Cherepanov, Peter; Costa, Alessandro; Diffley, John F. X.

2017-01-01

ORC, Cdc6 and Cdt1 act together to load hexameric MCM, the motor of the eukaryotic replicative helicase, into double hexamers at replication origins. Here we show that Cdt1 interacts with MCM subunits Mcm2, 4 and 6, which both destabilizes the Mcm2–5 interface and inhibits MCM ATPase activity. Using X-ray crystallography, we show that Cdt1 contains two winged-helix domains in the C-terminal half of the protein and a catalytically inactive dioxygenase-related N-terminal domain, which is important for MCM loading, but not for subsequent replication. We used these structures together with single-particle electron microscopy to generate three-dimensional models of MCM complexes. These show that Cdt1 stabilizes MCM in a left-handed spiral open at the Mcm2–5 gate. We propose that Cdt1 acts as a brace, holding MCM open for DNA entry and bound to ATP until ORC–Cdc6 triggers ATP hydrolysis by MCM, promoting both Cdt1 ejection and MCM ring closure. PMID:28643783

78 FR 18579 - State Energy Advisory Board; Open Teleconference

Federal Register 2010, 2011, 2012, 2013, 2014

2013-03-27

...; Open Teleconference AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy. ACTION: Notice of Open Teleconference. SUMMARY: This notice announces a teleconference call of the State... work on agenda items and details for the June 2013 meeting. Public Participation: The meeting is open...

Realization of intermode oscillations in open resonator of diffraction radiation generator

NASA Astrophysics Data System (ADS)

Kurin, V. G.; Skrynnik, V. G.; Shestopalov, V. P.

1993-11-01

The results of an experimental study of oscillation interaction in the open resonator of a diffraction radiation generator (DRG) are presented. Interaction is obtained in the region of oscillation splitting in the electrodynamic system of the DRG in the diffraction-radiation mode. The possibility of improving the generator's frequency stability in the vicinities of Morse critical points is shown.

The Rab3A-22A Chimera Prevents Sperm Exocytosis by Stabilizing Open Fusion Pores*

PubMed Central

Quevedo, María F.; Lucchesi, Ornella; Bustos, Matías A.; Pocognoni, Cristian A.; De la Iglesia, Paola X.

2016-01-01

At the final stage of exocytotis, a fusion pore opens between the plasma and a secretory vesicle membranes; typically, when the pore dilates the vesicle releases its cargo. Sperm contain a large dense-core secretory granule (the acrosome) whose contents are secreted by regulated exocytosis at fertilization. Minutes after the arrival of the triggering signal, the acrosomal and plasma membranes dock at multiple sites and fusion pores open at the contact points. It is believed that immediately afterward, fusion pores dilate spontaneously. Rab3A is an essential component of human sperm exocytotic machinery. Yet, recombinant, persistently active Rab3A halts calcium-triggered secretion when introduced after docking into streptolysin O-permeabilized cells; so does a Rab3A-22A chimera. Here, we applied functional assays, electron and confocal microscopy to show that the secretion blockage is due to the stabilization of open fusion pores. Other novel findings are that sperm SNAREs engage in α-SNAP/NSF-sensitive complexes at a post-fusion stage. Complexes are disentangled by these chaperons to achieve vesiculation and acrosomal contents release. Thus, post-fusion regulation of the pores determines their expansion and the success of the acrosome reaction. PMID:27613869

Ensuring the Environmental and Industrial Safety in Solid Mineral Deposit Surface Mining

NASA Astrophysics Data System (ADS)

Trubetskoy, Kliment; Rylnikova, Marina; Esina, Ekaterina

2017-11-01

The growing environmental pressure of mineral deposit surface mining and severization of industrial safety requirements dictate the necessity of refining the regulatory framework governing safe and efficient development of underground resources. The applicable regulatory documentation governing the procedure of ore open-pit wall and bench stability design for the stage of pit reaching its final boundary was issued several decades ago. Over recent decades, mining and geomechanical conditions have changed significantly in surface mining operations, numerous new software packages and computer developments have appeared, opportunities of experimental methods of source data collection and processing, grounding of the permissible parameters of open pit walls have changed dramatically, and, thus, methods of risk assessment have been perfected [10-13]. IPKON RAS, with the support of the Federal Service for Environmental Supervision, assumed the role of the initiator of the project for the development of Federal norms and regulations of industrial safety "Rules for ensuring the stability of walls and benches of open pits, open-cast mines and spoil banks", which contribute to the improvement of economic efficiency and safety of mineral deposit surface mining and enhancement of the competitiveness of Russian mines at the international level that is very important in the current situation.

Fluorinated alcohol, the third group of cosolvents that stabilize the molten-globule state relative to a highly denatured state of cytochrome c.

PubMed Central

Konno, T.; Iwashita, J.; Nagayama, K.

2000-01-01

The effects of 1,1,1,3,3,3-hexafluoro-isopropanol (HFIP) on the conformation of cytochrome c (cyt c) at pH 1.9 were studied using a combination of spectroscopic and physical methods. Analysis varying the HFIP concentration showed that a compact denatured conformation (M(HF)) accumulates in a low concentration range of HFIP in the middle of structural transition from the highly unstructured acid-denatured state to the highly helical alcohol-denatured state of cyt c. This contrasts clearly with the effect of isopropanol (IP), in which no compact conformation accompanied with the transition. Analysis varying concentrations of HFIP and NaCl concurrently showed that the M(HF) state of cyt c is essentially identical to the salt-induced molten-globule (M(G)) state, and the M(G) state in the presence of salt was also stabilized by a low concentration of HFIP. Furthermore, 2,2,2-trifluoroethanol stabilized M(HF) similarly to HFIP, supporting the proposition that the specific effect observed for HFIP is caused by fluorination of alcohol. The mechanism stabilizing compact conformation by HFIP remains unclear, but is probably distinct from that of salts and polyols, which are also known to stabilize the M(G)-like state. PMID:10752618

Stability of a penny-shaped geothermal reservoir in the earth's crust

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abe, H.; Sekine, H.

1982-06-01

The theoretical analysis of a penny-shaped geothermal reservoir in the earth's crust subject to linear tectonic stress gradients has been made on the basis of the three dimensional theory of elasticity. The condition for stability of a reservoir requires K/sub 1/ < K /SUB c/ , where K/sub 1/ and K /SUB c/ are, respectively, the stress intensity factor for the opening mode and the fracture toughness of the surrounding rock. From this condition the upper critical pressure being necessary for the reservoir stability is obtained and is shown graphically.

Open Enrollment: Overview and 2016 Legislative Update. Policy Analysis

ERIC Educational Resources Information Center

Wixom, Micah Ann

2017-01-01

Open-enrollment policies allow students to transfer from one public school to another of their choice. While open-enrollment policies involve students transferring to another school or district, the specifics of these policies vary significantly across states. States' open-enrollment policies may allow for voluntary or mandatory participation at…

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ni, Xiaotong; Van den Nest, Maarten; Buerschaper, Oliver

We propose a non-commutative extension of the Pauli stabilizer formalism. The aim is to describe a class of many-body quantum states which is richer than the standard Pauli stabilizer states. In our framework, stabilizer operators are tensor products of single-qubit operators drawn from the group 〈αI, X, S〉, where α = e{sup iπ/4} and S = diag(1, i). We provide techniques to efficiently compute various properties related to bipartite entanglement, expectation values of local observables, preparation by means of quantum circuits, parent Hamiltonians, etc. We also highlight significant differences compared to the Pauli stabilizer formalism. In particular, we give examplesmore » of states in our formalism which cannot arise in the Pauli stabilizer formalism, such as topological models that support non-Abelian anyons.« less

Personality Stability from Childhood to Midlife: Relating Teachers' Assessments in Elementary School to Observer- and Self-Ratings 40 Years Later.

PubMed

Edmonds, Grant W; Goldberg, Lewis R; Hampson, Sarah E; Barckley, Maureen

2013-10-01

We report on the longitudinal stability of personality traits across an average 40 years in the Hawaii Personality and Health Cohort relating childhood teacher assessments of personality to adult self- and observer- reports. Stabilities based on self-ratings in adulthood were compared to those measured by the Structured Interview for the Five-Factor Model (SIFFM; Trull & Widiger, 1997), and trait ratings completed by interviewers. Although convergence between self-reports and observer-ratings was modest, childhood traits demonstrated similar levels of stability across methods in adulthood. Extraversion and Conscientiousness generally showed higher stabilities, whereas Neuroticism showed none. For Agreeableness and Intellect/Openness, stability was highest when assessed with observer-ratings. These findings are discussed in terms of differences in trait evaluativeness and observability across measurement methods.

Personality Stability from Childhood to Midlife: Relating Teachers’ Assessments in Elementary School to Observer- and Self-Ratings 40 Years Later

PubMed Central

Edmonds, Grant W.; Goldberg, Lewis R.; Hampson, Sarah E.; Barckley, Maureen

2013-01-01

We report on the longitudinal stability of personality traits across an average 40 years in the Hawaii Personality and Health Cohort relating childhood teacher assessments of personality to adult self- and observer- reports. Stabilities based on self-ratings in adulthood were compared to those measured by the Structured Interview for the Five-Factor Model (SIFFM; Trull & Widiger, 1997), and trait ratings completed by interviewers. Although convergence between self-reports and observer-ratings was modest, childhood traits demonstrated similar levels of stability across methods in adulthood. Extraversion and Conscientiousness generally showed higher stabilities, whereas Neuroticism showed none. For Agreeableness and Intellect/Openness, stability was highest when assessed with observer-ratings. These findings are discussed in terms of differences in trait evaluativeness and observability across measurement methods. PMID:24039315

Citrate synthase proteins in extremophilic organisms: Studies within a structure-based model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Różycki, Bartosz, E-mail: rozycki@ifpan.edu.pl; Cieplak, Marek

2014-12-21

We study four citrate synthase homodimeric proteins within a structure-based coarse-grained model. Two of these proteins come from thermophilic bacteria, one from a cryophilic bacterium and one from a mesophilic organism; three are in the closed and two in the open conformations. Even though the proteins belong to the same fold, the model distinguishes the properties of these proteins in a way which is consistent with experiments. For instance, the thermophilic proteins are more stable thermodynamically than their mesophilic and cryophilic homologues, which we observe both in the magnitude of thermal fluctuations near the native state and in the kineticsmore » of thermal unfolding. The level of stability correlates with the average coordination number for amino acid contacts and with the degree of structural compactness. The pattern of positional fluctuations along the sequence in the closed conformation is different than in the open conformation, including within the active site. The modes of correlated and anticorrelated movements of pairs of amino acids forming the active site are very different in the open and closed conformations. Taken together, our results show that the precise location of amino acid contacts in the native structure appears to be a critical element in explaining the similarities and differences in the thermodynamic properties, local flexibility, and collective motions of the different forms of the enzyme.« less

Citrate synthase proteins in extremophilic organisms: Studies within a structure-based model

NASA Astrophysics Data System (ADS)

RóŻycki, Bartosz; Cieplak, Marek

2014-12-01

We study four citrate synthase homodimeric proteins within a structure-based coarse-grained model. Two of these proteins come from thermophilic bacteria, one from a cryophilic bacterium and one from a mesophilic organism; three are in the closed and two in the open conformations. Even though the proteins belong to the same fold, the model distinguishes the properties of these proteins in a way which is consistent with experiments. For instance, the thermophilic proteins are more stable thermodynamically than their mesophilic and cryophilic homologues, which we observe both in the magnitude of thermal fluctuations near the native state and in the kinetics of thermal unfolding. The level of stability correlates with the average coordination number for amino acid contacts and with the degree of structural compactness. The pattern of positional fluctuations along the sequence in the closed conformation is different than in the open conformation, including within the active site. The modes of correlated and anticorrelated movements of pairs of amino acids forming the active site are very different in the open and closed conformations. Taken together, our results show that the precise location of amino acid contacts in the native structure appears to be a critical element in explaining the similarities and differences in the thermodynamic properties, local flexibility, and collective motions of the different forms of the enzyme.

Periodic-disturbance accommodating control of the space station for asymptotic momentum management

NASA Technical Reports Server (NTRS)

Warren, Wayne; Wie, Bong; Geller, David

1989-01-01

Periodic-disturbance accommodating control is investigated for asymptotic momentum management of control moment gyros used as primary actuating devices for the Space Station. The proposed controller utilizes the concepts of quaternion feedback control and periodic-disturbance accommodation to achieve oscillations about the constant torque equilibrium attitude, while minimizing the control effort required. Three-axis coupled equations of motion, written in terms of quaternions, are derived for roll/yaw controller design and stability analysis. The quaternion feedback controller designed using the linear-quadratic regulator synthesis technique is shown to be robust for a wide range of pitch angles. It is also shown that the proposed controller tunes the open-loop unstable vehicle to a stable oscillatory motion which minimizes the control effort needed for steady-state operations.

Tautomers of Gas-Phase Erythrose and Their Interconversion Reactions: Insights from High-Level ab Initio Study.

PubMed

Szczepaniak, Marek; Moc, Jerzy

2015-11-05

D-Erythrose is a C4 monosaccharide with a biological and potential astrobiological relevance. We have investigated low-energy structures of d-erythrose and their interconversion in the gas phase with the highest-level calculations up-to-date. We have identified a number of structurally distinct furanose and open-chain isomers and predicted α ↔ α and β ↔ β furanose interconversion pathways involving the O-H rotamers. We have estimated relative Gibbs free energies of the erythrose species based on the CCSD(T)/aug-cc-pVTZ electronic energies and MP2/aug-cc-pVTZ vibrational frequencies. By using natural bond orbital theory we have also quantified a stabilization of erythrose conformers and interconversion transition states by intramolecular H-bonds.

Thermodynamics of viscoelastic rate-type fluids with stress diffusion

NASA Astrophysics Data System (ADS)

Málek, Josef; Průša, Vít; Skřivan, Tomáš; Süli, Endre

2018-02-01

We propose thermodynamically consistent models for viscoelastic fluids with a stress diffusion term. In particular, we derive variants of compressible/incompressible Maxwell/Oldroyd-B models with a stress diffusion term in the evolution equation for the extra stress tensor. It is shown that the stress diffusion term can be interpreted either as a consequence of a nonlocal energy storage mechanism or as a consequence of a nonlocal entropy production mechanism, while different interpretations of the stress diffusion mechanism lead to different evolution equations for the temperature. The benefits of the knowledge of the thermodynamical background of the derived models are documented in the study of nonlinear stability of equilibrium rest states. The derived models open up the possibility to study fully coupled thermomechanical problems involving viscoelastic rate-type fluids with stress diffusion.

Problem-solving style and multicultural personality dispositions: a study of construct validity.

PubMed

Houtz, John C; Ponterotto, Joseph G; Burger, Claudia; Marino, Cherylynn

2010-06-01

This exploratory study examined the relationship between problem-solving styles and multicultural personality dispositions among 91 graduate students enrolled in an urban university located in the northeast United States. Problem-solving style was assessed with the three dimensions of the VIEW: an Assessment of Problem Solving Style. Multicultural personality was assessed with the five-factor Multicultural Personality Questionnaire (MPQ); its factors of Cultural Empathy, Open-mindedness, Social Initiative, and Flexibility correlated significantly with Explorer and External problem-solving styles, as predicted. The Emotional Stability subscale also correlated significantly with scores on Explorer style, suggesting that individuals who prefer "thinking in new directions" in problem solving are more likely to report remaining calm under stressful situations. Collectively, study results provided additional evidence of construct validity for the VIEW.

[Social politics against poverty and in favor of health in Mexico].

PubMed

Hamui-Sutton, Alicia; Irigoyen-Coria, Arnulfo; Gómez-Clavelina, Francisco Javier; Fernández-Ortega, Miguel Angel

2006-01-01

One of the biggest challenges that Mexico faces is to fight against the poverty. The transition of a characteristic welfare model from the government in a closed economy, to an open economy where the functions of the State are limited, has modified the modalities of the social politics against poverty. Six indispensable conditions are identified for poverty's reduction: 1. Economic development with stability in order to generate more and better jobs for poor people. 2. To improve regional economies. 3. To improve home conditions of poor people. 4. To elevate education levels (to encourage an authentic heath education). 5. To diminish catastrophic expenses for health problems. 6. Technical training for all workers. The impact of poverty over health can provide valuable elements to establish effective preventive strategies on health workers.

Compensated control loops for a 30-cm ion thruster

NASA Technical Reports Server (NTRS)

Robson, R. R.

1976-01-01

The vaporizer dynamic control characteristics of a 30-cm diameter mercury ion thruster were determined by operating the thruster in an open loop steady state mode and then introducing a small sinusoidal signal on the main, cathode, or neutralizer vaporizer current and observing the response of the beam current, discharge voltage, and neutralizer keeper voltage, respectively. This was done over a range of frequencies and operating conditions. From these data, Bode plots for gain and phase were made and mathematical models were obtained. The Bode plots and mathematical models were analyzed for stability and appropriate compensation networks determined. The compensated control loops were incorporated into a power processor and operated with a thruster. The time responses of the compensated loops to changes in set points and recovery from arc conditions are presented.

Study of Evaporation Rate of Water in Hydrophobic Confinement using Forward Flux Sampling

NASA Astrophysics Data System (ADS)

Sharma, Sumit; Debenedetti, Pablo G.

2012-02-01

Drying of hydrophobic cavities is of interest in understanding biological self assembly, protein stability and opening and closing of ion channels. Liquid-to-vapor transition of water in confinement is associated with large kinetic barriers which preclude its study using conventional simulation techniques. Using forward flux sampling to study the kinetics of the transition between two hydrophobic surfaces, we show that a) the free energy barriers to evaporation scale linearly with the distance between the two surfaces, d; b) the evaporation rates increase as the lateral size of the surfaces, L increases, and c) the transition state to evaporation for sufficiently large L is a cylindrical vapor cavity connecting the two hydrophobic surfaces. Finally, we decouple the effects of confinement geometry and surface chemistry on the evaporation rates.

Troponin C Mutations Partially Stabilize the Active State of Regulated Actin and Fully Stabilize the Active State When Paired with Δ14 TnT.

PubMed

Baxley, Tamatha; Johnson, Dylan; Pinto, Jose R; Chalovich, Joseph M

2017-06-13

Striated muscle contraction is regulated by the actin-associated proteins tropomyosin and troponin. The extent of activation of myosin ATPase activity is lowest in the absence of both Ca 2+ and activating cross-bridges (i.e., S1-ADP or rigor S1). Binding of activating species of myosin to actin at a saturating Ca 2+ concentration stabilizes the most active state (M state) of the actin-tropomyosin-troponin complex (regulated actin). Ca 2+ binding alone produces partial stabilization of the active state. The extent of stabilization at a saturating Ca 2+ concentration depends on the isoform of the troponin subunits, the phosphorylation state of troponin, and, in the case of cardiac muscle, the presence of hypertrophic cardiomyopathy-producing mutants of troponin T and troponin I. Cardiac dysfunction is also associated with mutations of troponin C (TnC). Troponin C mutants A8V, C84Y, and D145E increase the Ca 2+ sensitivity of ATPase activity. We show that these mutants change the distribution of regulated actin states. The A8V and C84Y TnC mutants decreased the inactive B state distribution slightly at low Ca 2+ concentrations, but the D145E mutants had no effect on that state. All TnC mutants increased the level of the active M state compared to that of the wild type, at a saturating Ca 2+ concentration. Troponin complexes that contained two mutations that stabilize the active M state, A8V TnC and Δ14 TnT, appeared to be completely in the active state in the presence of only Ca 2+ . Because Ca 2+ gives full activation, in this situation, troponin must be capable of positioning tropomyosin in the active M state without the need for rigor myosin binding.

Robust Control Design for Flight Control

DTIC Science & Technology

1989-07-01

controller may be designed to produce desired responses to pilot commands, responses to external (atmospheric) disturbances may be unusual and...suggested for stabilizing open loop unstable aircraft result in nonminimum phase zeros in the dynamics as seen by the pilot . This issue has not been...stability test it does retain several essential features of the popular single loop test developed by Nyquist. In particular, it identifies a Nyquist

Compounding of vitamin A, D3, E and K3 supplements for cystic fibrosis patients: formulation and stability study.

PubMed

Huyghebaert, N; De Beer, J; Vervaet, C; Remon, J P

2007-10-01

Cystic fibrosis (CF) patients suffer from malabsorption of fat-soluble vitamins (A, D, E and K). These vitamins are available as water-dispersible (A, D(3) and E) or water-soluble grades (K(3)), which is favoured in CF patients as they fail to absorb oil-based products. The objective of this study was to determine stability of these raw materials after opening the original package and to develop a compounded formulation of acceptable quality, stability and taste, allowing flexible dose adaptation and being appropriate for administration to children and elderly people. The raw materials were stored after opening their original package for 8 months at 8 degrees C and room temperature (RT). Stability was assessed using a validated HPLC method after extraction of the vitamin from the cold water-soluble matrix (vitamin A acetate, D(3) and E) or using a spectrophotometrical method (vitamin K(3)). These materials were mixed with an appropriate lactose grade (lactose 80 m for vitamins A and D(3); lactose 90 m for vitamin E, lactose very fine powder for vitamin K(3)) and filled in hard gelatin capsules. Mass and content uniformity were determined and stability of the vitamins in the capsules was assessed after 2 months storage at 8 degrees C and RT. All raw materials showed good stability during storage in the opened original package for 8 months storage at 8 degrees C as well as RT (>95% of the initial content). The compounded formulations complied with the requirements of the European Pharmacopoeia for mass and content uniformity and can be stored for 2 months at 8 degrees C or RT while maintaining the vitamin content between 90% and 110%. As these fat-soluble vitamins are not commercially available on the Belgian market, compounded formulations are a valuable alternative for prophylactic administration of these vitamins to CF patients, i.e. a stable formulation, having an acceptable taste, allowing flexible dose adaptation and being appropriate for administration to children and elderly people.

Orotidine 5'-Monophosphate Decarboxylase: Probing the Limits of the Possible for Enzyme Catalysis.

PubMed

Richard, John P; Amyes, Tina L; Reyes, Archie C

2018-04-17

The mystery associated with catalysis by what were once regarded as protein black boxes, diminished with the X-ray crystallographic determination of the three-dimensional structures of enzyme-substrate complexes. The report that several high-resolution X-ray crystal structures of orotidine 5'-monophosphate decarboxylase (OMPDC) failed to provide a consensus mechanism for enzyme-catalyzed decarboxylation of OMP to form uridine 5'-monophosphate, therefore, provoked a flurry of controversy. This controversy was fueled by the enormous 10 23 -fold rate acceleration for this enzyme, which had " jolted many biochemists' assumptions about the catalytic potential of enzymes." Our studies on the mechanism of action of OMPDC provide strong evidence that catalysis by this enzyme is not fundamentally different from less proficient catalysts, while highlighting important architectural elements that enable a peak level of performance. Many enzymes undergo substrate-induced protein conformational changes that trap their substrates in solvent occluded protein cages, but the conformational change induced by ligand binding to OMPDC is incredibly complex, as required to enable the development of 22 kcal/mol of stabilizing binding interactions with the phosphodianion and ribosyl substrate fragments of OMP. The binding energy from these fragments is utilized to activate OMPDC for catalysis of decarboxylation at the orotate fragment of OMP, through the creation of a tight, catalytically active, protein cage from the floppy, open, unliganded form of OMPDC. Such utilization of binding energy for ligand-driven conformational changes provides a general mechanism to obtain specificity in transition state binding. The rate enhancement that results from the binding of carbon acid substrates to enzymes is partly due to a reduction in the carbon acid p K a that is associated with ligand binding. The binding of UMP to OMPDC results in an unusually large >12 unit decrease in the p K a = 29 for abstraction of the C-6 substrate hydrogen, due to stabilization of an enzyme-bound vinyl carbanion, which is also an intermediate of OMPDC-catalyzed decarboxylation. The protein-ligand interactions operate to stabilize the vinyl carbanion at the enzyme active site compared to aqueous solution, rather than to stabilize the transition state for the concerted electrophilic displacement of CO 2 by H + that avoids formation of this reaction intermediate. There is evidence that OMPDC induces strain into the bound substrate. The interaction between the amide side chain of Gln-215 from the phosphodianion gripper loop and the hydroxymethylene side chain of Ser-154 from the pyrimidine umbrella of ScOMPDC position the amide side chain to interact with the phosphodianion of OMP. There are no direct stabilizing interactions between dianion gripper protein side chains Gln-215, Tyr-217, and Arg-235 and the pyrimidine ring at the decarboxylation transition state. Rather these side chains function solely to hold OMPDC in the catalytically active closed conformation. The hydrophobic side chains that line the active site of OMPDC in the region of the departing CO 2 product may function to stabilize the decarboxylation transition state by providing hydrophobic solvation of this product.

Feedback-Equivalence of Nonlinear Systems with Applications to Power System Equations.

NASA Astrophysics Data System (ADS)

Marino, Riccardo

The key concept of the dissertation is feedback equivalence among systems affine in control. Feedback equivalence to linear systems in Brunovsky canonical form and the construction of the corresponding feedback transformation are used to: (i) design a nonlinear regulator for a detailed nonlinear model of a synchronous generator connected to an infinite bus; (ii) establish which power system network structures enjoy the feedback linearizability property and design a stabilizing control law for these networks with a constraint on the control space which comes from the use of d.c. lines. It is also shown that the feedback linearizability property allows the use of state feedback to contruct a linear controllable system with a positive definite linear Hamiltonian structure for the uncontrolled part if the state space is even; a stabilizing control law is derived for such systems. Feedback linearizability property is characterized by the involutivity of certain nested distributions for strongly accessible analytic systems; if the system is defined on a manifold M diffeomorphic to the Euclidean space, it is established that the set where the property holds is a submanifold open and dense in M. If an analytic output map is defined, a set of nested involutive distributions can be always defined and that allows the introduction of an observability property which is the dual concept, in some sense, to feedback linearizability: the goal is to investigate when a nonlinear system affine in control with an analytic output map is feedback equivalent to a linear controllable and observable system. Finally a nested involutive structure of distributions is shown to guarantee the existence of a state feedback that takes a nonlinear system affine in control to a single input one, both feedback equivalent to linear controllable systems, preserving one controlled vector field.

Measurement of the first ionization potential of lawrencium, element 103.

PubMed

Sato, T K; Asai, M; Borschevsky, A; Stora, T; Sato, N; Kaneya, Y; Tsukada, K; Düllmann, Ch E; Eberhardt, K; Eliav, E; Ichikawa, S; Kaldor, U; Kratz, J V; Miyashita, S; Nagame, Y; Ooe, K; Osa, A; Renisch, D; Runke, J; Schädel, M; Thörle-Pospiech, P; Toyoshima, A; Trautmann, N

2015-04-09

The chemical properties of an element are primarily governed by the configuration of electrons in the valence shell. Relativistic effects influence the electronic structure of heavy elements in the sixth row of the periodic table, and these effects increase dramatically in the seventh row--including the actinides--even affecting ground-state configurations. Atomic s and p1/2 orbitals are stabilized by relativistic effects, whereas p3/2, d and f orbitals are destabilized, so that ground-state configurations of heavy elements may differ from those of lighter elements in the same group. The first ionization potential (IP1) is a measure of the energy required to remove one valence electron from a neutral atom, and is an atomic property that reflects the outermost electronic configuration. Precise and accurate experimental determination of IP1 gives information on the binding energy of valence electrons, and also, therefore, on the degree of relativistic stabilization. However, such measurements are hampered by the difficulty in obtaining the heaviest elements on scales of more than one atom at a time. Here we report that the experimentally obtained IP1 of the heaviest actinide, lawrencium (Lr, atomic number 103), is 4.96(+0.08)(-0.07) electronvolts. The IP1 of Lr was measured with (256)Lr (half-life 27 seconds) using an efficient surface ion-source and a radioisotope detection system coupled to a mass separator. The measured IP1 is in excellent agreement with the value of 4.963(15) electronvolts predicted here by state-of-the-art relativistic calculations. The present work provides a reliable benchmark for theoretical calculations and also opens the way for IP1 measurements of superheavy elements (that is, transactinides) on an atom-at-a-time scale.

Towards Stability Analysis of Jump Linear Systems with State-Dependent and Stochastic Switching

NASA Technical Reports Server (NTRS)

Tejada, Arturo; Gonzalez, Oscar R.; Gray, W. Steven

2004-01-01

This paper analyzes the stability of hierarchical jump linear systems where the supervisor is driven by a Markovian stochastic process and by the values of the supervised jump linear system s states. The stability framework for this class of systems is developed over infinite and finite time horizons. The framework is then used to derive sufficient stability conditions for a specific class of hybrid jump linear systems with performance supervision. New sufficient stochastic stability conditions for discrete-time jump linear systems are also presented.

Generalized graph states based on Hadamard matrices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui, Shawn X.; Yu, Nengkun; Department of Mathematics and Statistics, University of Guelph, Guelph, Ontario N1G 2W1

2015-07-15

Graph states are widely used in quantum information theory, including entanglement theory, quantum error correction, and one-way quantum computing. Graph states have a nice structure related to a certain graph, which is given by either a stabilizer group or an encoding circuit, both can be directly given by the graph. To generalize graph states, whose stabilizer groups are abelian subgroups of the Pauli group, one approach taken is to study non-abelian stabilizers. In this work, we propose to generalize graph states based on the encoding circuit, which is completely determined by the graph and a Hadamard matrix. We study themore » entanglement structures of these generalized graph states and show that they are all maximally mixed locally. We also explore the relationship between the equivalence of Hadamard matrices and local equivalence of the corresponding generalized graph states. This leads to a natural generalization of the Pauli (X, Z) pairs, which characterizes the local symmetries of these generalized graph states. Our approach is also naturally generalized to construct graph quantum codes which are beyond stabilizer codes.« less

Active measurement-based quantum feedback for preparing and stabilizing superpositions of two cavity photon number states

NASA Astrophysics Data System (ADS)

Berube-Lauziere, Yves

The measurement-based quantum feedback scheme developed and implemented by Haroche and collaborators to actively prepare and stabilize specific photon number states in cavity quantum electrodynamics (CQED) is a milestone achievement in the active protection of quantum states from decoherence. This feat was achieved by injecting, after each weak dispersive measurement of the cavity state via Rydberg atoms serving as cavity sensors, a low average number classical field (coherent state) to steer the cavity towards the targeted number state. This talk will present the generalization of the theory developed for targeting number states in order to prepare and stabilize desired superpositions of two cavity photon number states. Results from realistic simulations taking into account decoherence and imperfections in a CQED set-up will be presented. These demonstrate the validity of the generalized theory and points to the experimental feasibility of preparing and stabilizing such superpositions. This is a further step towards the active protection of more complex quantum states than number states. This work, cast in the context of CQED, is also almost readily applicable to circuit QED. YBL acknowledges financial support from the Institut Quantique through a Canada First Research Excellence Fund.

Rational modification of protein stability by targeting surface sites leads to complicated results

PubMed Central

Xiao, Shifeng; Patsalo, Vadim; Shan, Bing; Bi, Yuan; Green, David F.; Raleigh, Daniel P.

2013-01-01

The rational modification of protein stability is an important goal of protein design. Protein surface electrostatic interactions are not evolutionarily optimized for stability and are an attractive target for the rational redesign of proteins. We show that surface charge mutants can exert stabilizing effects in distinct and unanticipated ways, including ones that are not predicted by existing methods, even when only solvent-exposed sites are targeted. Individual mutation of three solvent-exposed lysines in the villin headpiece subdomain significantly stabilizes the protein, but the mechanism of stabilization is very different in each case. One mutation destabilizes native-state electrostatic interactions but has a larger destabilizing effect on the denatured state, a second removes the desolvation penalty paid by the charged residue, whereas the third introduces unanticipated native-state interactions but does not alter electrostatics. Our results show that even seemingly intuitive mutations can exert their effects through unforeseen and complex interactions. PMID:23798426

Lyapunov Stability of Fuzzy Discrete Event Systems

NASA Astrophysics Data System (ADS)

Liu, Fuchun; Qiu, Daowen

Fuzzy discrete event systems (FDESs) as a generalization of (crisp) discrete event systems (DESs) may better deal with the problems of fuzziness, impreciseness, and subjectivity. Qiu, Cao and Ying, Liu and Qiu interestingly developed the theory of FDESs. As a continuation of Qiu's work, this paper is to deal with the Lyapunov stability of FDESs, some main results of crisp DESs are generalized. We formalize the notions of the reachability of fuzzy states defined on a metric space. A linear algorithm of computing the r-reachable fuzzy state set is presented. Then we introduce the definitions of stability and asymptotical stability in the sense of Lyapunov to guarantee the convergence of the behaviors of fuzzy automaton to the desired fuzzy states when system engages in some illegal behaviors which can be tolerated. In particular, we present a necessary and sufficient condition for stability and another for asymptotical stability of FDESs.