How well do force fields capture the strength of salt bridges in proteins?

PubMed Central

Ahmed, Mustapha Carab; Papaleo, Elena

2018-01-01

Salt bridges form between pairs of ionisable residues in close proximity and are important interactions in proteins. While salt bridges are known to be important both for protein stability, recognition and regulation, we still do not have fully accurate predictive models to assess the energetic contributions of salt bridges. Molecular dynamics simulation is one technique that may be used study the complex relationship between structure, solvation and energetics of salt bridges, but the accuracy of such simulations depends on the force field used. We have used NMR data on the B1 domain of protein G (GB1) to benchmark molecular dynamics simulations. Using enhanced sampling simulations, we calculated the free energy of forming a salt bridge for three possible lysine-carboxylate ionic interactions in GB1. The NMR experiments showed that these interactions are either not formed, or only very weakly formed, in solution. In contrast, we show that the stability of the salt bridges is overestimated, to different extents, in simulations of GB1 using seven out of eight commonly used combinations of fixed charge force fields and water models. We also find that the Amber ff15ipq force field gives rise to weaker salt bridges in good agreement with the NMR experiments. We conclude that many force fields appear to overstabilize these ionic interactions, and that further work may be needed to refine our ability to model quantitatively the stability of salt bridges through simulations. We also suggest that comparisons between NMR experiments and simulations will play a crucial role in furthering our understanding of this important interaction.

Characterisation of flattening filter free (FFF) beam properties for initial beam set-up and routine QA, independent of flattened beams

NASA Astrophysics Data System (ADS)

Paynter, D.; Weston, S. J.; Cosgrove, V. P.; Thwaites, D. I.

2018-01-01

Flattening filter free (FFF) beams have reached widespread use for clinical treatment deliveries. The usual methods for FFF beam characterisation for their quality assurance (QA) require the use of associated conventional flattened beams (cFF). Methods for QA of FFF without the need to use associated cFF beams are presented and evaluated against current methods for both FFF and cFF beams. Inflection point normalisation is evaluated against conventional methods for the determination of field size and penumbra for field sizes from 3 cm  ×  3 cm to 40 cm  ×  40cm at depths from dmax to 20 cm in water for matched and unmatched FFF beams and for cFF beams. A method for measuring symmetry in the cross plane direction is suggested and evaluated as FFF beams are insensitive to symmetry changes in this direction. Methods for characterising beam energy are evaluated and the impact of beam energy on profile shape compared to that of cFF beams. In-plane symmetry can be measured, as can cFF beams, using observed changes in profile, whereas cross-plane symmetry can be measured by acquiring profiles at collimator angles 0 and 180. Beam energy and ‘unflatness’ can be measured as with cFF beams from observed shifts in profile with changing beam energy. Normalising the inflection points of FFF beams to 55% results in an equivalent penumbra and field size measurement within 0.5 mm of conventional methods with the exception of 40 cm  ×  40 cm fields at a depth of 20 cm. New proposed methods are presented that make it possible to independently carry out set up and QA measurements on beam energy, flatness, symmetry and field size of an FFF beam without the need to reference to an equivalent flattened beam of the same energy. The methods proposed can also be used to carry out this QA for flattened beams, resulting in universal definitions and methods for MV beams. This is presented for beams produced by an Elekta linear accelerator, but is anticipated to also apply to other manufacturers’ beams.

Theoretical and experimental vibrational spectroscopy study on rotational isomer of 4-phenylbutylamine

NASA Astrophysics Data System (ADS)

Ünal, A.; Okur, M.

2017-02-01

The possible four stable rotational isomers of 4-phenylbutylamine (4PBA) molecule were experimentally and theoretically studied by vibrational spectroscopy. The FT-IR (4000-400 cm-1) and Raman (3700-60 cm-1) spectra of 4PBA were recorded at room temperature in liquid phase. The complete vibrational wavenumbers and corresponding vibrational assignments of 4PBA molecule were discussed assisted with B3LYP/6-311++G(d,p) level of theory along with scaled quantum mechanics force field (SQM-FF) method. Results from experimental and theoretical data the most stable form of 4PBA molecule was obtained.

The dynamics of copper intercalated molybdenum ditelluride

NASA Astrophysics Data System (ADS)

Onofrio, Nicolas; Guzman, David; Strachan, Alejandro

2016-11-01

Layered transition metal dichalcogenides are emerging as key materials in nanoelectronics and energy applications. Predictive models to understand their growth, thermomechanical properties, and interaction with metals are needed in order to accelerate their incorporation into commercial products. Interatomic potentials enable large-scale atomistic simulations connecting first principle methods and devices. We present a ReaxFF reactive force field to describe molybdenum ditelluride and its interactions with copper. We optimized the force field parameters to describe the energetics, atomic charges, and mechanical properties of (i) layered MoTe2, Mo, and Cu in various phases, (ii) the intercalation of Cu atoms and small clusters within the van der Waals gap of MoTe2, and (iii) bond dissociation curves. The training set consists of an extensive set of first principles calculations computed using density functional theory (DFT). We validate the force field via the prediction of the adhesion of a single layer MoTe2 on a Cu(111) surface and find good agreement with DFT results not used in the training set. We characterized the mobility of the Cu ions intercalated into MoTe2 under the presence of an external electric field via finite temperature molecular dynamics simulations. The results show a significant increase in drift velocity for electric fields of approximately 0.4 V/Å and that mobility increases with Cu ion concentration.

Changes in plantar loading based on shoe type and sex during a jump-landing task.

PubMed

Debiasio, Justin C; Russell, Mary E; Butler, Robert J; Nunley, James A; Queen, Robin M

2013-01-01

Metatarsal stress fractures are common in cleated-sport athletes. Previous authors have shown that plantar loading varies with footwear, sex, and the athletic task. To examine the effects of shoe type and sex on plantar loading in the medial midfoot (MMF), lateral midfoot (LMF), medial forefoot (MFF), middle forefoot (MidFF), and lateral forefoot (LFF) during a jump-landing task. Crossover study. Laboratory. Twenty-seven recreational athletes (14 men, 13 women) with no history of lower extremity injury in the last 6 months and no history of foot or ankle surgery. The athletes completed 7 jumping trials while wearing bladed-cleat, turf-cleat, and running shoes. Maximum force, contact area, contact time, and the force-time integral were analyzed in each foot region. We calculated 2 × 3 analyses of variance (α = .05) to identify shoe-condition and sex differences. We found no shoe × sex interactions, but the MMF, LMF, MFF, and LFF force-time integrals were greater in men (P < .03). The MMF maximum force was less with the bladed-cleat shoes (P = .02). Total foot and MidFF maximum force was less with the running shoes (P < .01). The MFF and LFF maximum forces were different among all shoe conditions (P < .01). Total foot contact area was less in the bladed-cleat shoes (P = .01). The MMF contact area was greatest in the running shoes (P < .01). The LFF contact area was less in the running shoes (P = .03). The MFF and LFF force-time integrals were greater with the bladed-cleat shoes (P < .01). The MidFF force-time integral was less in the running shoes (P < .01). Independent of shoe, men and women loaded the foot differently during a jump landing. The bladed cleat increased forefoot loading, which may increase the risk for forefoot injury. The type of shoe should be considered when choosing footwear for athletes returning to activity after metatarsal stress fractures.

Towards validated chemistry at extreme conditions: reactive MD simulations of shocked Polyvinyl Nitrate and Nitromethane

NASA Astrophysics Data System (ADS)

Islam, Md Mahbubul; Strachan, Alejandro

A detailed atomistic-level understanding of the ultrafast chemistry of detonation processes of high energy materials is crucial to understand their performance and safety. Recent advances in laser shocks and ultra-fast spectroscopy is yielding the first direct experimental evidence of chemistry at extreme conditions. At the same time, reactive molecular dynamics (MD) in current high-performance computing platforms enable an atomic description of shock-induced chemistry with length and timescales approaching those of experiments. We use MD simulations with the reactive force field ReaxFF to investigate the shock-induced chemical decomposition mechanisms of polyvinyl nitrate (PVN) and nitromethane (NM). The effect of shock pressure on chemical reaction mechanisms and kinetics of both the materials are investigated. For direct comparison of our simulation results with experimentally derived IR absorption data, we performed spectral analysis using atomistic velocity at various shock conditions. The combination of reactive MD simulations and ultrafast spectroscopy enables both the validation of ReaxFF at extreme conditions and contributes to the interpretation of the experimental data relating changes in spectral features to atomic processes. Office of Naval Research MURI program.

Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF.

PubMed

Rom, Naomi; Zybin, Sergey V; van Duin, Adri C T; Goddard, William A; Zeiri, Yehuda; Katz, Gil; Kosloff, Ronnie

2011-09-15

The decomposition mechanism of hot liquid nitromethane at various compressions was studied using reactive force field (ReaxFF) molecular dynamics simulations. A competition between two different initial thermal decomposition schemes is observed, depending on compression. At low densities, unimolecular C-N bond cleavage is the dominant route, producing CH(3) and NO(2) fragments. As density and pressure rise approaching the Chapman-Jouget detonation conditions (∼30% compression, >2500 K) the dominant mechanism switches to the formation of the CH(3)NO fragment via H-transfer and/or N-O bond rupture. The change in the decomposition mechanism of hot liquid NM leads to a different kinetic and energetic behavior, as well as products distribution. The calculated density dependence of the enthalpy change correlates with the change in initial decomposition reaction mechanism. It can be used as a convenient and useful global parameter for the detection of reaction dynamics. Atomic averaged local diffusion coefficients are shown to be sensitive to the reactions dynamics, and can be used to distinguish between time periods where chemical reactions occur and diffusion-dominated, nonreactive time periods. © 2011 American Chemical Society

Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamics.

PubMed

Guo, Dezhou; Zybin, Sergey V; An, Qi; Goddard, William A; Huang, Fenglei

2016-01-21

The combustion or detonation of reacting materials at high temperature and pressure can be characterized by the Chapman-Jouguet (CJ) state that describes the chemical equilibrium of the products at the end of the reaction zone of the detonation wave for sustained detonation. This provides the critical properties and product kinetics for input to macroscale continuum simulations of energetic materials. We propose the ReaxFF Reactive Dynamics to CJ point protocol (Rx2CJ) for predicting the CJ state parameters, providing the means to predict the performance of new materials prior to synthesis and characterization, allowing the simulation based design to be done in silico. Our Rx2CJ method is based on atomistic reactive molecular dynamics (RMD) using the QM-derived ReaxFF force field. We validate this method here by predicting the CJ point and detonation products for three typical energetic materials. We find good agreement between the predicted and experimental detonation velocities, indicating that this method can reliably predict the CJ state using modest levels of computation.

Multiscale Investigations of the Early Stage Oxidation on Cu Surfaces

NASA Astrophysics Data System (ADS)

Zhu, Qing; Xiao, Penghao; Lian, Xin; Yang, Shen-Che; Henkelman, Grame; Saidi, Wissam; Yang, Judith; University of Pittsburgh Team; University of Texas at Austin Team

Previous in situ TEM experiments have shown that the oxidation of the three low index Cu surfaces (100), (110) and (111) exhibit different oxide nucleation rates, and the resulting oxides have 3-dimensional (3D) island shapes or 2D rafts under different conditions. In order to better understand these results, we have investigated the early stages of Cu oxidation using a multiscale computational approach that employs density functional theory (DFT), reactive force field (ReaxFF), and kinetic Mote Carlo (KMC). With DFT calculation, we have compared O2 dissociation barriers on Cu (100), (110) and (111) surfaces at high oxygen coverage to evaluate the kinetic barrier of sublayer oxidization. We found that O2 dissociation barriers on Cu(111) surface are all lower than those on (110) and (100) surfaces. This trend agrees with experimental observations that (111) surface is easier to oxidize. These DFT calculated energy barriers are then incorporated into KMC simulations. The large scale ReaxFF molecular dynamics and KMC simulations detail the oxidation dynamics of the different Cu surfaces, and show the formation of various oxide morphologies that are consistent with experimental observations.

Molecular Dynamics Simulations of Intrinsically Disordered Proteins: On the Accuracy of the TIP4P-D Water Model and the Representativeness of Protein Disorder Models.

PubMed

Henriques, João; Skepö, Marie

2016-07-12

Here, we first present a follow-up to a previous work by our group on the problematic of molecular dynamics simulations of intrinsically disordered proteins (IDPs) [ Henriques et al. J. Chem. Theory Comput. 2015 , 11 , 3420 - 3431 ], using the recently developed TIP4P-D water model. When used in conjunction with the standard AMBER ff99SB-ILDN force field and applied to the simulation of Histatin 5, our IDP model, we obtain results which are in excellent agreement with the best performing IDP-suitable force field from the earlier study and with experiment. We then assess the representativeness of the IDP models used in these and similar studies, finding that most are too short in comparison to the average IDP and contain a bias toward hydrophilic amino acid residues. Moreover, several key order- and disorder-promoting residues are also found to be misrepresented. It seems appropriate for future studies to address these issues.

The combination of fluticasone furoate and vilanterol trifenatate in the management of asthma: clinical trial evidence and experience

PubMed Central

Albertson, Timothy E.; Richards, John R.; Zeki, Amir A.

2015-01-01

The treatment of persistent asthma has been aided by the recent approval of new medications. The combined inhaled corticosteroid (ICS)/long-acting β2 agonist (LABA) powder inhaler fluticasone furoate (FF)/vilanterol trifenatate (VI) is one of these new agents, which was recently approved as a maintenance therapy for persistent asthma. This once-daily ICS/LABA inhaler has previously been approved and used in chronic obstructive pulmonary disease as a maintenance therapy. Both FF and VI individually have been shown to have efficacy in the treatment of persistent asthma; the combination of FF/VI at the dose of 100/25 μg daily improves trough peak expiratory flows and forced expiratory volume in 1 s. It also reduces the frequency of asthma exacerbations in patients with persistent asthma. The once-daily dosing is well tolerated, with limited clinically significant adverse events; the once-daily inhaled dosing regimen should also improve medication adherence. The data supporting the use of the FF/VI inhaler in persistent asthma are reviewed. The dry powder inhaler of FF/VI (100/25 μg) is an effective and well tolerated once-daily maintenance treatment for patients with persistent asthma. PMID:26668137

Dendrimer Interactions with Lipid Bilayer: Comparison of Force Field and Effect of Implicit vs Explicit Solvation.

PubMed

Kanchi, Subbarao; Gosika, Mounika; Ayappa, K G; Maiti, Prabal K

2018-06-13

The understanding of dendrimer interactions with cell membranes has great importance in drug/gene delivery based therapeutics. Although molecular simulations have been used to understand the nature of dendrimer interactions with lipid membranes, its dependency on available force field parameters is poorly understood. In this study, we have carried out fully atomistic molecular dynamics (MD) simulations of a protonated G3 poly(amido amine) (PAMAM) dendrimer-dimyristoylphosphatidylcholine (DMPC) lipid bilayer complex using three different force fields (FFs) namely, CHARMM, GAFF, and GROMOS in the presence of explicit water to understand the structure of the lipid-dendrimer complex and nature of their interaction. CHARMM and GAFF dendrimers initially in contact with the lipid head groups were found to move away from the lipid bilayer during the course of simulation; however, the dendrimer remained strongly bound to the lipid head groups with the GROMOS FF. Potential of the mean force (PMF) computations of the dendrimer along the bilayer normal showed a repulsive barrier (∼20 kcal/mol) between dendrimer and lipid bilayer in the case of CHARMM and GAFF force fields. In contrast, an attractive interaction (∼40 kcal/mol) is obtained with the GROMOS force field, consistent with experimental observations of membrane binding observed with lower generation G3 PAMAM dendrimers. This difference with the GROMOS dendrimer is attributed to the strong dendrimer-lipid interaction and lowered surface hydration of the dendrimer. Assessing the role of solvent, we find that the CHARMM and GAFF dendrimers strongly bind to the lipid bilayer with an implicit solvent (Generalized Born) model, whereas binding is not observed with explicit water (TIP3P). The opposing nature of dendrimer-membrane interactions in the presence of explicit and implicit solvents demonstrates that hydration effects play an important role in modulating the dendrimer-lipid interaction warranting a case for refinement of the existing dendrimer/lipid force fields.

Total skin electron therapy in the lying‐on‐the‐floor position using a customized flattening filter to accommodate frail patients

PubMed Central

Antolak, John A.

2013-01-01

A total skin electron (TSE) floor technique is presented for treating patients who are unable to safely stand for extended durations. A customized flattening filter is used to eliminate the need for field junctioning, improve field uniformity, and reduce setup time. The flattening filter is constructed from copper and polycarbonate, fits into the linac's accessory slot, and is optimized to extend the useful height and width of the beam such that no field junctions are needed during treatment. A TSE floor with flattening filter (TSE FF) treatment course consisted of six patient positions: three supine and three prone. For all treatment fields, electron beam energy was 6 MeV; collimator settings were an x of 30 cm, y of 40 cm, and θcoll of 0°; and a 0.4 cm thick polycarbonate spoiler was positioned in front of the patient. Percent depth dose (PDD) and photon contamination for the TSE FF technique were compared with our standard technique, which is similar to the Stanford technique. Beam profiles were measured using radiochromic film, and dose uniformity was verified using an anthropomorphic radiological phantom. The TSE FF technique met field uniformity requirements specified by the American Association of Physicists in Medicine Task Group 30. TSE FF R80 ranges from 4 to 4.8 mm. TSE FF photon contamination was ~ 3%. Anthropomorphic radiological phantom verification demonstrated that dose to the entire skin surface was expected to be within about ±15% of the prescription dose, except for the perineum, scalp vertex, top of shoulder, and soles of the feet. The TSE floor technique presented herein eliminates field junctioning, is suitable for patients who cannot safely stand during treatment, and provides comparable quality and uniformity to the Stanford technique. PACS number: 87 PMID:24036864

Effect of ageing on the force development in tetanic contractions of motor units in rat medial gastrocnemius muscle.

PubMed

Łochyński, Dawid; Kaczmarek, Dominik; Krutki, Piotr; Celichowski, Jan

2010-09-01

The purpose of this study was to determine the effect of ageing on the rate of force generation of motor units, and the mechanical efficiency of contraction produced by a doublet discharge. The study was carried out on isolated motor units of rat medial gastrocnemius muscle of young (5-10 mo) and two groups of old (24-25 and 28-30 mo) Wistar rats. Motor units were classified into the fast fatigable (FF), fast resistant (FR) and slow (S) ones. The force output and rate of force development were determined for non-doublet unfused tetanic contractions evoked by a series of a constant-rate trains of pulses and corresponding doublet contractions starting with an initial brief interpulse interval of 5 ms, and for maximal tetanic contraction. In FF motor units the rate of force development and the force produced by the doublet discharge increased transiently at the age of 24-25 mo, while in S and FR motor units this increase was observed at the age of 28-30 mo. Age-related decrease in the rate of force development of skeletal muscle cannot be attributed to a decline in efficiency of force production by functioning motor units. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

NANOGOLD decorated by pHLIP peptide: comparative force field study.

PubMed

Kyrychenko, A

2015-05-21

The potential of gold nanoparticles (AuNPs) in therapeutic and diagnostic cancer applications is becoming increasingly recognized, which focuses on their efficient and specific delivery from passive accumulation in tumour tissue to directly targeting tumor-specific biomarkers. AuNPs functionalized by pH low insertion peptide (pHLIP) have recently revealed the capability of targeting acidic tissues and inserting into cell membranes. However, the structure of AuNP-pHLIP conjugates and fundamental gold-peptide interactions still remain unknown. In this study, we have developed a series of molecular dynamics (MD) models reproducing a small gold nanoparticle coupled to pHLIP. We focus on Au135 nanoparticles that comprise a nearly spherical Au core (diameter ∼ 1.4 nm) functionalized with a monomaleimide moiety, mimicking a commercially available monomaleimido NANOGOLD® labelling agent. To probe the structure and folding of pHLIP, which is attached covalently to the maleimide NANOGOLD particle, we have benchmarked the performances of a series of popular, all-atom force fields (FF), including those of OPLS-AA, AMBER03, three variations of CHARMM FFs, as well as united-atom GROMOS G53A6 FF. We found that CHARMMs and OPLSAA FFs predict that in an aqueous salt solution at a neutral pH, pHLIP is partially bound onto the gold surface through some short hydrophobic peptide stretches, while at the same time, a large portion of peptide remains in solution. In contrast, AMBER03 and G53A6 FFs revealed the formation of compact, tightly bound peptide configurations adsorbed onto the nanoparticle core. To reproduce the experimental physical picture of the peptide adsorption onto gold in unfolded and unstructured conformations, our study suggests CHARMM36 and OPLS-AA FFs as a tool of choice for the computational studies of NANOGOLD decorated by pHLIP.

Topological Fulde-Ferrell and Larkin-Ovchinnikov states in spin-orbit-coupled lattice system

NASA Astrophysics Data System (ADS)

Guo, Yao-Wu; Chen, Yan

2018-04-01

The spin-orbit coupled lattice system under Zeeman fields provides an ideal platform to realize exotic pairing states. Notable examples range from the topological superfluid/superconducting (tSC) state, which is gapped in the bulk but metallic at the edge, to the Fulde-Ferrell (FF) state (having a phase-modulated order parameter with a uniform amplitude) and the Larkin-Ovchinnikov (LO) state (having a spatially varying order parameter amplitude). Here, we show that the topological FF state with Chern number ( C = -1) (tFF1) and topological LO state with C= 2 (tLO2) can be stabilized in Rashba spin-orbit coupled lattice systems in the presence of both in-plane and out-of-plane Zeeman fields. Besides the inhomogeneous tSC states, in the presence of a weak in-plane Zeeman field, two topological BCS phases may emerge with C = -1 (tBCS1) far from half filling and C = 2 (tBCS2) near half filling. We show intriguing effects such as different spatial profiles of order parameters for FF and LO states, the topological evolution among inhomogeneous tSC states, and different non-trivial Chern numbers for the tFF1 and tLO1,2 states, which are peculiar to the lattice system. Global phase diagrams for various topological phases are presented for both half-filling and doped cases. The edge states as well as local density of states spectra are calculated for tSC states in a 2D strip.

Effect of ion-implantation on surface characteristics of nickel titanium and titanium molybdenum alloy arch wires.

PubMed

Krishnan, Manu; Saraswathy, Seema; Sukumaran, Kalathil; Abraham, Kurian Mathew

2013-01-01

To evaluate the changes in surface roughness and frictional features of 'ion-implanted nickel titanium (NiTi) and titanium molybdenum alloy (TMA) arch wires' from its conventional types in an in-vitro laboratory set up. 'Ion-implanted NiTi and low friction TMA arch wires' were assessed for surface roughness with scanning electron microscopy (SEM) and 3 dimensional (3D) optical profilometry. Frictional forces were studied in a universal testing machine. Surface roughness of arch wires were determined as Root Mean Square (RMS) values in nanometers and Frictional Forces (FF) in grams. Mean values of RMS and FF were compared by Student's 't' test and one way analysis of variance (ANOVA). SEM images showed a smooth topography for ion-implanted versions. 3D optical profilometry demonstrated reduction of RMS values by 58.43% for ion-implanted NiTi (795.95 to 330.87 nm) and 48.90% for TMA groups (463.28 to 236.35 nm) from controls. Nonetheless, the corresponding decrease in FF was only 29.18% for NiTi and 22.04% for TMA, suggesting partial correction of surface roughness and disproportionate reduction in frictional forces with ion-implantation. Though the reductions were highly significant at P < 0.001, relations between surface roughness and frictional forces remained non conclusive even after ion-implantation. The study proved that ion-implantation can significantly reduce the surface roughness of NiTi and TMA wires but could not make a similar reduction in frictional forces. This can be attributed to the inherent differences in stiffness and surface reactivity of NiTi and TMA wires when used in combination with stainless steel brackets, which needs further investigations.

Digital fundus image grading with the non-mydriatic Visucam(PRO NM) versus the FF450(plus) camera in diabetic retinopathy.

PubMed

Neubauer, Aljoscha S; Rothschuh, Antje; Ulbig, Michael W; Blum, Marcus

2008-03-01

Grading diabetic retinopathy in clinical trials is frequently based on 7-field stereo photography of the fundus in diagnostic mydriasis. In terms of image quality, the FF450(plus) camera (Carl Zeiss Meditec AG, Jena, Germany) defines a high-quality reference. The aim of the study was to investigate if the fully digital fundus camera Visucam(PRO NM) could serve as an alternative in clinical trials requiring 7-field stereo photography. A total of 128 eyes of diabetes patients were enrolled in the randomized, controlled, prospective trial. Seven-field stereo photography was performed with the Visucam(PRO NM) and the FF450(plus) camera, in random order, both in diagnostic mydriasis. The resulting 256 image sets from the two camera systems were graded for retinopathy levels and image quality (on a scale of 1-5); both were anonymized and blinded to the image source. On FF450(plus) stereoscopic imaging, 20% of the patients had no or mild diabetic retinopathy (ETDRS level < or = 20) and 29% had no macular oedema. No patient had to be excluded as a result of image quality. Retinopathy level did not influence the quality of grading or of images. Excellent overall correspondence was obtained between the two fundus cameras regarding retinopathy levels (kappa 0.87) and macular oedema (kappa 0.80). In diagnostic mydriasis the image quality of the Visucam was graded slightly as better than that of the FF450(plus) (2.20 versus 2.41; p < 0.001), especially for pupils < 7 mm in mydriasis. The non-mydriatic Visucam(PRO NM) offers good image quality and is suitable as a more cost-efficient and easy-to-operate camera for applications and clinical trials requiring 7-field stereo photography.

Structural Ensemble of CD4 Cytoplasmic Tail (402-419) Reveals a Nearly Flat Free-Energy Landscape with Local α-Helical Order in Aqueous Solution.

PubMed

Ahalawat, Navjeet; Arora, Simran; Murarka, Rajesh K

2015-08-27

The human cluster determinant 4 (CD4), expressed primarily on the surface of T helper cells, serves as a coreceptor in T-cell receptor recognition of MHC II antigen complexes. Besides its cellular functions, CD4 serves as a primary receptor of human immunodeficiency virus (HIV) type 1. The cytoplasmic tail of CD4 (residues 402-419) is known to be involved in direct interaction with the HIV-1 proteins Vpu and Nef. These two viral accessory proteins (Vpu and Nef) downregulate CD4 in HIV-1 infected cells by multiple strategies and make the body susceptible to all forms of infections. In this work, we carried out extensive replica exchange molecular dynamics simulations in explicit water with three popular protein force fields Amber ff99SB, Amber ff99SB*-ILDN, and CHARMM36 to characterize the equilibrium conformational ensemble of CD4-tail (402-419) and further validated the simulated ensembles with known NMR data. We found that ff99SB*-ILDN gives a better description of the structural ensemble of this peptide compared with ff99SB and CHARMM36. The peptide adopts multiple distinct conformations with varying degree of residual secondary structures. In particular, we observed 28, 7, and 5% average α-helical, β-strand, and 3(10)-helix content, respectively, for ff99SB*-ILDN. The peptide chain shows the tendency of helix formation in a cooperative manner, seeding at residues 407-410, and subsequently extending toward both ends of the chain. Furthermore, we constructed Markov state model (MSM) from large-scale molecular dynamics simulations to study the dynamics of transitions between different metastable states explored by this peptide. The mean first passage times computed from MSM indicate rapid interconversion of these states, and the time scales of transitions range from several nanoseconds to hundreds of microseconds. Our results show good agreement with experimental data and could help to understand the key molecular mechanisms of T-cell activation and HIV-mediated receptor interference.

The general ventilation multipliers calculated by using a standard Near-Field/Far-Field model.

PubMed

Koivisto, Antti J; Jensen, Alexander C Ø; Koponen, Ismo K

2018-05-01

In conceptual exposure models, the transmission of pollutants in an imperfectly mixed room is usually described with general ventilation multipliers. This is the approach used in the Advanced REACH Tool (ART) and Stoffenmanager® exposure assessment tools. The multipliers used in these tools were reported by Cherrie (1999; http://dx.doi.org/10.1080/104732299302530 ) and Cherrie et al. (2011; http://dx.doi.org/10.1093/annhyg/mer092 ) who developed them by positing input values for a standard Near-Field/Far-Field (NF/FF) model and then calculating concentration ratios between NF and FF concentrations. This study revisited the calculations that produce the multipliers used in ART and Stoffenmanager and found that the recalculated general ventilation multipliers were up to 2.8 times (280%) higher than the values reported by Cherrie (1999) and the recalculated NF and FF multipliers for 1-hr exposure were up to 1.2 times (17%) smaller and for 8-hr exposure up to 1.7 times (41%) smaller than the values reported by Cherrie et al. (2011). Considering that Stoffenmanager and the ART are classified as higher-tier regulatory exposure assessment tools, the errors is general ventilation multipliers should not be ignored. We recommend revising the general ventilation multipliers. A better solution is to integrate the NF/FF model to Stoffenmanager and the ART.

Quantifying sources, transport, deposition, and radiative forcing of black carbon over the Himalayas and Tibetan Plateau

DOE PAGES

Zhang, Rudong; Wang, Hailong; Qian, Yun; ...

2015-06-08

Black carbon (BC) particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source–receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source-tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fate ofmore » BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation in the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source–receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on season and location in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer, when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in the Himalayas and central Tibetan Plateau, while East Asia FF and BB contribute the most to the northeast plateau in all seasons and southeast plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching the northwest plateau, especially in the summer. Although local emissions only contribute about 10% of BC in the HTP, this contribution is extremely sensitive to local emission changes. Lastly, we show that the annual mean radiative forcing (0.42 W m -2) due to BC in snow outweighs the BC dimming effect (-0.3 W m -2) at the surface over the HTP. We also find strong seasonal and spatial variation with a peak value of 5 W m -2 in the spring over the northwest plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat.« less

Quantifying sources, transport, deposition, and radiative forcing of black carbon over the Himalayas and Tibetan Plateau

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

Zhang, Rudong; Wang, Hailong; Qian, Yun

Black carbon (BC) particles over the Himalayas and Tibetan Plateau (HTP), both airborne and those deposited on snow, have been shown to affect snowmelt and glacier retreat. Since BC over the HTP may originate from a variety of geographical regions and emission sectors, it is essential to quantify the source–receptor relationships of BC in order to understand the contributions of natural and anthropogenic emissions and provide guidance for potential mitigation actions. In this study, we use the Community Atmosphere Model version 5 (CAM5) with a newly developed source-tagging technique, nudged towards the MERRA meteorological reanalysis, to characterize the fate ofmore » BC particles emitted from various geographical regions and sectors. Evaluated against observations over the HTP and surrounding regions, the model simulation shows a good agreement in the seasonal variation in the near-surface airborne BC concentrations, providing confidence to use this modeling framework for characterizing BC source–receptor relationships. Our analysis shows that the relative contributions from different geographical regions and source sectors depend on season and location in the HTP. The largest contribution to annual mean BC burden and surface deposition in the entire HTP region is from biofuel and biomass (BB) emissions in South Asia, followed by fossil fuel (FF) emissions from South Asia, then FF from East Asia. The same roles hold for all the seasonal means except for the summer, when East Asia FF becomes more important. For finer receptor regions of interest, South Asia BB and FF have the largest impact on BC in the Himalayas and central Tibetan Plateau, while East Asia FF and BB contribute the most to the northeast plateau in all seasons and southeast plateau in the summer. Central Asia and Middle East FF emissions have relatively more important contributions to BC reaching the northwest plateau, especially in the summer. Although local emissions only contribute about 10% of BC in the HTP, this contribution is extremely sensitive to local emission changes. Lastly, we show that the annual mean radiative forcing (0.42 W m -2) due to BC in snow outweighs the BC dimming effect (-0.3 W m -2) at the surface over the HTP. We also find strong seasonal and spatial variation with a peak value of 5 W m -2 in the spring over the northwest plateau. Such a large forcing of BC in snow is sufficient to cause earlier snow melting and potentially contribute to the acceleration of glacier retreat.« less

Design and test of a hybrid foot force sensing and GPS system for richer user mobility activity recognition.

PubMed

Zhang, Zelun; Poslad, Stefan

2013-11-01

Wearable and accompanied sensors and devices are increasingly being used for user activity recognition. However, typical GPS-based and accelerometer-based (ACC) methods face three main challenges: a low recognition accuracy; a coarse recognition capability, i.e., they cannot recognise both human posture (during travelling) and transportation mode simultaneously, and a relatively high computational complexity. Here, a new GPS and Foot-Force (GPS + FF) sensor method is proposed to overcome these challenges that leverages a set of wearable FF sensors in combination with GPS, e.g., in a mobile phone. User mobility activities that can be recognised include both daily user postures and common transportation modes: sitting, standing, walking, cycling, bus passenger, car passenger (including private cars and taxis) and car driver. The novelty of this work is that our approach provides a more comprehensive recognition capability in terms of reliably recognising both human posture and transportation mode simultaneously during travel. In addition, by comparing the new GPS + FF method with both an ACC method (62% accuracy) and a GPS + ACC based method (70% accuracy) as baseline methods, it obtains a higher accuracy (95%) with less computational complexity, when tested on a dataset obtained from ten individuals.

Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome.

PubMed

Šponer, Jiří; Banáš, Pavel; Jurečka, Petr; Zgarbová, Marie; Kührová, Petra; Havrila, Marek; Krepl, Miroslav; Stadlbauer, Petr; Otyepka, Michal

2014-05-15

We present a brief overview of explicit solvent molecular dynamics (MD) simulations of nucleic acids. We explain physical chemistry limitations of the simulations, namely, the molecular mechanics (MM) force field (FF) approximation and limited time scale. Further, we discuss relations and differences between simulations and experiments, compare standard and enhanced sampling simulations, discuss the role of starting structures, comment on different versions of nucleic acid FFs, and relate MM computations with contemporary quantum chemistry. Despite its limitations, we show that MD is a powerful technique for studying the structural dynamics of nucleic acids with a fast growing potential that substantially complements experimental results and aids their interpretation.

A reactive force field study of Li/C systems for electrical energy storage

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

Raju, Muralikrishna; Ganesh, P.; Kent, Paul R. C.

Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length, time-scales, and Li-ion concentrations. In this paper, we describe the development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon-based materials using atomistic simulations. We develop force field parameters for Li–C systems using van der Waals-corrected density functional theory (DFT). Grand canonical Monte Carlo simulations of Li intercalation in perfect graphitemore » with this new force field not only give a voltage profile in good agreement with known experimental and DFT results but also capture the in-plane Li ordering and interlayer separations for stage I and II compounds. In defective graphite, the ratio of Li/C (i.e., the capacitance increases and voltage shifts) both in proportion to the concentration of vacancy defects and metallic lithium is observed to explain the lithium plating seen in recent experiments. We also demonstrate the robustness of the force field by simulating model carbon nanostructures (i.e., both 0D and 1D structures) that can be potentially used as battery electrode materials. Whereas a 0D defective onion-like carbon facilitates fast charging/discharging rates by surface Li adsorption, a 1D defect-free carbon nanorod requires a critical density of Li for intercalation to occur at the edges. Our force field approach opens the opportunity for studying energetics and kinetics of perfect and defective Li/C structures containing thousands of atoms as a function of intercalation. As a result, this is a key step toward modeling of realistic carbon materials for energy applications.« less

A reactive force field study of Li/C systems for electrical energy storage

DOE PAGES

Raju, Muralikrishna; Ganesh, P.; Kent, Paul R. C.; ...

2015-04-02

Graphitic carbon is still the most ubiquitously used anode material in Li-ion batteries. In spite of its ubiquity, there are few theoretical studies that fully capture the energetics and kinetics of Li in graphite and related nanostructures at experimentally relevant length, time-scales, and Li-ion concentrations. In this paper, we describe the development and application of a ReaxFF reactive force field to describe Li interactions in perfect and defective carbon-based materials using atomistic simulations. We develop force field parameters for Li–C systems using van der Waals-corrected density functional theory (DFT). Grand canonical Monte Carlo simulations of Li intercalation in perfect graphitemore » with this new force field not only give a voltage profile in good agreement with known experimental and DFT results but also capture the in-plane Li ordering and interlayer separations for stage I and II compounds. In defective graphite, the ratio of Li/C (i.e., the capacitance increases and voltage shifts) both in proportion to the concentration of vacancy defects and metallic lithium is observed to explain the lithium plating seen in recent experiments. We also demonstrate the robustness of the force field by simulating model carbon nanostructures (i.e., both 0D and 1D structures) that can be potentially used as battery electrode materials. Whereas a 0D defective onion-like carbon facilitates fast charging/discharging rates by surface Li adsorption, a 1D defect-free carbon nanorod requires a critical density of Li for intercalation to occur at the edges. Our force field approach opens the opportunity for studying energetics and kinetics of perfect and defective Li/C structures containing thousands of atoms as a function of intercalation. As a result, this is a key step toward modeling of realistic carbon materials for energy applications.« less

Mesoscale eddies: hotspots of prokaryotic activity and differential community structure in the ocean.

PubMed

Baltar, Federico; Arístegui, Javier; Gasol, Josep M; Lekunberri, Itziar; Herndl, Gerhard J

2010-08-01

To investigate the effects of mesoscale eddies on prokaryotic assemblage structure and activity, we sampled two cyclonic eddies (CEs) and two anticyclonic eddies (AEs) in the permanent eddy-field downstream the Canary Islands. The eddy stations were compared with two far-field (FF) stations located also in the Canary Current, but outside the influence of the eddy field. The distribution of prokaryotic abundance (PA), bulk prokaryotic heterotrophic activity (PHA), various indicators of single-cell activity (such as nucleic acid content, proportion of live cells, and fraction of cells actively incorporating leucine), as well as bacterial and archaeal community structure were determined from the surface to 2000 m depth. In the upper epipelagic layer (0-200 m), the effect of eddies on the prokaryotic community was more apparent, as indicated by the higher PA, PHA, fraction of living cells, and percentage of active cells incorporating leucine within eddies than at FF stations. Prokaryotic community composition differed also between eddy and FF stations in the epipelagic layer. In the mesopelagic layer (200-1000 m), there were also significant differences in PA and PHA between eddy and FF stations, although in general, there were no clear differences in community composition or single-cell activity. The effects on prokaryotic activity and community structure were stronger in AE than CE, decreasing with depth in both types of eddies. Overall, both types of eddies show distinct community compositions (as compared with FF in the epipelagic), and represent oceanic 'hotspots' of prokaryotic activity (in the epi- and mesopelagic realms).

Toward Accurate Adsorption Energetics on Clay Surfaces

PubMed Central

2016-01-01

Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard computer simulations play an important role, yet the accuracy of widely used empirical force fields (FF) and density functional theory (DFT) exchange-correlation functionals is often unclear in adsorption systems dominated by weak interactions. Herein we present results from quantum Monte Carlo (QMC) for water and methanol adsorption on the prototypical clay kaolinite. To the best of our knowledge, this is the first time QMC has been used to investigate adsorption at a complex, natural surface such as a clay. As well as being valuable in their own right, the QMC benchmarks obtained provide reference data against which the performance of cheaper DFT methods can be tested. Indeed using various DFT exchange-correlation functionals yields a very broad range of adsorption energies, and it is unclear a priori which evaluation is better. QMC reveals that in the systems considered here it is essential to account for van der Waals (vdW) dispersion forces since this alters both the absolute and relative adsorption energies of water and methanol. We show, via FF simulations, that incorrect relative energies can lead to significant changes in the interfacial densities of water and methanol solutions at the kaolinite interface. Despite the clear improvements offered by the vdW-corrected and the vdW-inclusive functionals, absolute adsorption energies are often overestimated, suggesting that the treatment of vdW forces in DFT is not yet a solved problem. PMID:27917256

Divalent Ion Parameterization Strongly Affects Conformation and Interactions of an Anionic Biomimetic Polymer.

PubMed

Daily, Michael D; Baer, Marcel D; Mundy, Christopher J

2016-03-10

The description of peptides and the use of molecular dynamics simulations to refine structures and investigate the dynamics on an atomistic scale are well developed. Through a consensus in this community over multiple decades, parameters were developed for molecular interactions that only require the sequence of amino-acids and an initial guess for the three-dimensional structure. The recent discovery of peptoids will require a retooling of the currently available interaction potentials in order to have the same level of confidence in the predicted structures and pathways as there is presently in the peptide counterparts. Here we present modeling of peptoids using a combination of ab initio molecular dynamics (AIMD) and atomistic resolution classical force field (FF) to span the relevant time and length scales. To properly account for the dominant forces that stabilize ordered structures of peptoids, namely steric-, electrostatic, and hydrophobic interactions mediated through side chain-side chain interactions in the FF model, those have to be first mapped out using high fidelity atomistic representations. A key feature here is not only to use gas phase quantum chemistry tools, but also account for solvation effects in the condensed phase through AIMD. One major challenge is to elucidate ion binding to charged or polar regions of the peptoid and its concomitant role in the creation of local order. Here, similar to proteins, a specific ion effect is observed suggesting that both the net charge and the precise chemical nature of the ion will need to be described.

Changes in Plantar Loading Based on Shoe Type and Sex During a Jump-Landing Task

PubMed Central

DeBiasio, Justin C.; Russell, Mary E.; Butler, Robert J.; Nunley, James A.; Queen, Robin M.

2013-01-01

Context: Metatarsal stress fractures are common in cleated-sport athletes. Previous authors have shown that plantar loading varies with footwear, sex, and the athletic task. Objective: To examine the effects of shoe type and sex on plantar loading in the medial midfoot (MMF), lateral midfoot (LMF), medial forefoot (MFF), middle forefoot (MidFF), and lateral forefoot (LFF) during a jump-landing task. Design: Crossover study. Setting: Laboratory. Patients or Other Participants: Twenty-seven recreational athletes (14 men, 13 women) with no history of lower extremity injury in the last 6 months and no history of foot or ankle surgery. Main Outcome Measure(s): The athletes completed 7 jumping trials while wearing bladed-cleat, turf-cleat, and running shoes. Maximum force, contact area, contact time, and the force-time integral were analyzed in each foot region. We calculated 2 × 3 analyses of variance (α = .05) to identify shoe-condition and sex differences. Results: We found no shoe × sex interactions, but the MMF, LMF, MFF, and LFF force-time integrals were greater in men (P < .03). The MMF maximum force was less with the bladed-cleat shoes (P = .02). Total foot and MidFF maximum force was less with the running shoes (P < .01). The MFF and LFF maximum forces were different among all shoe conditions (P < .01). Total foot contact area was less in the bladed-cleat shoes (P = .01). The MMF contact area was greatest in the running shoes (P < .01). The LFF contact area was less in the running shoes (P = .03). The MFF and LFF force-time integrals were greater with the bladed-cleat shoes (P < .01). The MidFF force-time integral was less in the running shoes (P < .01). Conclusions: Independent of shoe, men and women loaded the foot differently during a jump landing. The bladed cleat increased forefoot loading, which may increase the risk for forefoot injury. The type of shoe should be considered when choosing footwear for athletes returning to activity after metatarsal stress fractures. PMID:24067149

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

Pouvreau, Maxime; Greathouse, Jeffery A.; Cygan, Randall T.

Molecular scale understanding of the structure and properties of aqueous interfaces with clays, metal (oxy-) hydroxides, layered double hydroxides, and other inorganic phases is strongly affected by significant degrees of structural and compositional disorder of the interfaces. ClayFF was originally developed as a robust and flexible force field for classical molecular simulations of such systems. However, despite its success, multiple limitations have also become evident with its use. One of the most important limitations is the difficulty to accurately model the edges of finite size nanoparticles or pores rather than infinitely layered periodic structures. Here we propose a systematic approachmore » to solve this problem by developing specific metal–O–H (M–O–H) bending terms for ClayFF, E bend = k (θ – θ 0) 2 to better describe the structure and dynamics of singly protonated hydroxyl groups at mineral surfaces, particularly edge surfaces. On the basis of a series of DFT calculations, the optimal values of the Al–O–H and Mg–O–H parameters for Al and Mg in octahedral coordination are determined to be θ 0,AlOH = θ 0,MgOH = 110°, k AlOH = 15 kcal mol –1 rad –2 and k MgOH = 6 kcal mol –1 rad –2. Molecular dynamics simulations were performed for fully hydrated models of the basal and edge surfaces of gibbsite, Al(OH) 3, and brucite, Mg(OH) 2, at the DFT level of theory and at the classical level, using ClayFF with and without the M–O–H term. The addition of the new bending term leads to a much more accurate representation of the orientation of O–H groups at the basal and edge surfaces. Finally, the previously observed unrealistic desorption of OH 2 groups from the particle edges within the original ClayFF model is also strongly constrained by the new modification.« less

Stress effects on the initial lithiation of crystalline silicon nanowires: Reactive molecular dynamics simulations using ReaxFF

DOE PAGES

Ostadhossein, Alireza; Cubuk, Ekin D.; Tritsaris, Georgios A.; ...

2014-12-18

Silicon (Si) has been recognized as a promising anode material for the next-generation high-capacity lithium (Li)-ion batteries because of its high theoretical energy density. Recent in situ transmission electron microscopy (TEM) revealed that the electrochemical lithiation of crystalline Si nanowires (c-SiNWs) proceeds by the migration of the interface between the lithiated Si (LixSi) shell and the pristine unlithiated core, accompanied by solid-state amorphization. The underlying atomic mechanisms of Li insertion into c-Si remain poorly understood. In this research, we perform molecular dynamics (MD) simulations using the reactive force field (ReaxFF) to characterize the lithiation process of c-SiNWs. Our calculations showmore » that ReaxFF can accurately reproduce the energy barriers of Li migration from DFT calculations in both crystalline (c-Si) and amorphous Si (a-Si). The ReaxFF-based MD simulations reveal that Li insertion into interlayer spacing between two adjacent (111) planes results in the peeling-off of the (111) facets and subsequent amorphization, in agreement with experimental observations. We find that breaking of the Si–Si bonds between (111)-bilayers requires a rather high local Li concentration, which explains the atomically sharp amorphous–crystalline interface (ACI). Our stress analysis shows that lithiation induces compressive stress at the ACI layer, causing retardation or even the stagnation of the reaction front, also in good agreement with TEM observations. Lithiation at high temperatures (e.g. 1200 K) shows that Li insertion into c-SiNW results in an amorphous to crystalline phase transformation at Li : Si composition of ~4.2:1. In conclusion, our modeling results provide a comprehensive picture of the effects of reaction and diffusion-induced stress on the interfacial dynamics and mechanical degradation of SiNW anodes under chemo-mechanical lithiation.« less

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant.

PubMed

Caleman, Carl; van Maaren, Paul J; Hong, Minyan; Hub, Jochen S; Costa, Luciano T; van der Spoel, David

2012-01-10

The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats, treatment of electrostatic interactions, and system size (1000 molecules). The densities and enthalpy of vaporization from an independent data set based on simulations using the CHARMM General Force Field (CGenFF) presented by Vanommeslaeghe et al. (J. Comput. Chem.2010, 31, 671) are included for comparison. We find that, overall, the OPLS/AA force field performs somewhat better than GAFF, but there are significant issues with reproduction of the surface tension and dielectric constants for both force fields.

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

PubMed Central

2011-01-01

The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a molecular mechanics force field could not describe both organic liquids and biomolecules with a single parameter set. Here, we devise a benchmark for force fields in order to test the ability of existing force fields to reproduce some key properties of organic liquids, namely, the density, enthalpy of vaporization, the surface tension, the heat capacity at constant volume and pressure, the isothermal compressibility, the volumetric expansion coefficient, and the static dielectric constant. Well over 1200 experimental measurements were used for comparison to the simulations of 146 organic liquids. Novel polynomial interpolations of the dielectric constant (32 molecules), heat capacity at constant pressure (three molecules), and the isothermal compressibility (53 molecules) as a function of the temperature have been made, based on experimental data, in order to be able to compare simulation results to them. To compute the heat capacities, we applied the two phase thermodynamics method (Lin et al. J. Chem. Phys.2003, 119, 11792), which allows one to compute thermodynamic properties on the basis of the density of states as derived from the velocity autocorrelation function. The method is implemented in a new utility within the GROMACS molecular simulation package, named g_dos, and a detailed exposé of the underlying equations is presented. The purpose of this work is to establish the state of the art of two popular force fields, OPLS/AA (all-atom optimized potential for liquid simulation) and GAFF (generalized Amber force field), to find common bottlenecks, i.e., particularly difficult molecules, and to serve as a reference point for future force field development. To make for a fair playing field, all molecules were evaluated with the same parameter settings, such as thermostats and barostats, treatment of electrostatic interactions, and system size (1000 molecules). The densities and enthalpy of vaporization from an independent data set based on simulations using the CHARMM General Force Field (CGenFF) presented by Vanommeslaeghe et al. (J. Comput. Chem.2010, 31, 671) are included for comparison. We find that, overall, the OPLS/AA force field performs somewhat better than GAFF, but there are significant issues with reproduction of the surface tension and dielectric constants for both force fields. PMID:22241968

Applying LED in full-field optical coherence tomography for gastrointestinal endoscopy

NASA Astrophysics Data System (ADS)

Yang, Bor-Wen; Wang, Yu-Yen; Juan, Yu-Shan; Hsu, Sheng-Jie

2015-08-01

Optical coherence tomography (OCT) has become an important medical imaging technology due to its non-invasiveness and high resolution. Full-field optical coherence tomography (FF-OCT) is a scanning scheme especially suitable for en face imaging as it employs a CMOS/CCD device for parallel pixels processing. FF-OCT can also be applied to high-speed endoscopic imaging. Applying cylindrical scanning and a right-angle prism, we successfully obtained a 360° tomography of the inner wall of an intestinal cavity through an FF-OCT system with an LED source. The 10-μm scale resolution enables the early detection of gastrointestinal lesions, which can increase detection rates for esophageal, stomach, or vaginal cancer. All devices used in this system can be integrated by MOEMS technology to contribute to the studies of gastrointestinal medicine and advanced endoscopy technology.

Assessment of asbestos exposure during a simulated agricultural activity in the proximity of the former asbestos mine of Balangero, Italy.

PubMed

Turci, Francesco; Favero-Longo, Sergio Enrico; Gazzano, Claudia; Tomatis, Maura; Gentile-Garofalo, Laura; Bergamini, Massimo

2016-05-05

The natural occurrence of asbestos (NOA) in rural areas is a serious concern for human health and the dispersion route of asbestos in the proximity of natural asbestos-rich settings has been marginally evaluated so far. NOA may affect air, but also water and soil quality. In rural areas population may be exposed to asbestos with a largely unknown impact on human health. This work investigates the potential exposure of a farmer cultivating a field nearby the largest former asbestos mine of Western Europe (Balangero, Italy). The concentration of waterborne asbestos in the stream used to water the field was measured (ca. 2×10(5) fibers per liter, ff/L) and the cultivated ultramafic topsoil characterized, evidencing a remarkable occurrence of chrysotile. The worker's personal exposure and the environmental fiber dispersion during a simulated agricultural activity (tillage) were quantified in two independent trials. During the trials, the worker was exposed to average concentrations of 16 and 26 ff/L, with a peak of 40 ff/L. These data inform about the possible exposure of an agricultural worker to asbestos concentration higher than the accepted threshold of 2 ff/L. The release of asbestos fibers into the environment was negligible (0-2 ff/L). Copyright © 2016 Elsevier B.V. All rights reserved.

Fill factor in organic solar cells can exceed the Shockley-Queisser limit

NASA Astrophysics Data System (ADS)

Trukhanov, Vasily A.; Bruevich, Vladimir V.; Paraschuk, Dmitry Yu.

2015-06-01

The ultimate efficiency of organic solar cells (OSC) is under active debate. The solar cell efficiency is calculated from the current-voltage characteristic as a product of the open-circuit voltage (VOC), short-circuit current (JSC), and the fill factor (FF). While the factors limiting VOC and JSC for OSC were extensively studied, the ultimate FF for OSC is scarcely explored. Using numerical drift-diffusion modeling, we have found that the FF in OSC can exceed the Shockley-Queisser limit (SQL) established for inorganic p-n junction solar cells. Comparing charge generation and recombination in organic donor-acceptor bilayer heterojunction and inorganic p-n junction, we show that such distinctive properties of OSC as interface charge generation and heterojunction facilitate high FF, but the necessary condition for FF exceeding the SQL in OSC is field-dependence of charge recombination at the donor-acceptor interface. These findings can serve as a guideline for further improvement of OSC.

ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework.

PubMed

Huang, Liangliang; Joshi, Kaushik L; van Duin, Adri C T; Bandosz, Teresa J; Gubbins, Keith E

2012-08-28

The thermal stability of a dehydrated Cu(3)(BTC)(2) (copper(II) benzene 1,3,5-tricarboxylate) metal-organic framework was studied by molecular dynamics simulation with a ReaxFF reactive force field. The results show that Cu(3)(BTC)(2) is thermally stable up to 565 K. When the temperature increases between 600 K and 700 K, the framework starts to partially collapse. The RDF analysis shows that the long range correlations between Cu dimers disappear, indicating the loss of the main channels of Cu(3)(BTC)(2). When the temperature is above 800 K, we find the decomposition of the Cu(3)(BTC)(2) framework. CO is the major product, and we also observe the release of CO(2), O(2), 1,3,5-benzenetricarboxylate (C(6)H(3)(CO(2))(3), BTC) and glassy carbon. The Cu dimer is stable up to 1100 K, but we find the formation of new copper oxide clusters at 1100 K. These results are consistent with experimental findings, and provide valuable information for future theoretical investigations of Cu(3)(BTC)(2) and its application in adsorption, separation and catalytic processes.

Comparison of simulation and experimental results for a model aqueous tert-butanol solution

NASA Astrophysics Data System (ADS)

Overduin, S. D.; Patey, G. N.

2017-07-01

Molecular dynamics simulations are used to investigate the behavior of aqueous tert-butanol (TBA) solutions for a range of temperatures, using the CHARMM generalized force field (CGenFF) to model TBA and the TIP4P/2005 or TIP4P-Ew water model. Simulation results for the density, isothermal compressibility, constant pressure heat capacity, and self-diffusion coefficients are in good accord with experimental measurements. Agreement with the experiment is particularly good at low TBA concentration, where experiments have revealed anomalies in a number of thermodynamic properties. Importantly, the CGenFF model does not exhibit liquid-liquid demixing at temperatures between 290 and 320 K (for systems of 32 000 molecules), in contrast with the situation for several other common TBA models [R. Gupta and G. N. Patey, J. Chem. Phys. 137, 034509 (2012)]. However, whereas real water and TBA are miscible at all temperatures where the liquid is stable, we observe some evidence of demixing at 340 K and above. To evaluate the structural properties at low concentrations, we compare with both neutron scattering and recent spectroscopic measurements. This reveals that while the CGenFF model is a definite improvement over other models that have been considered, the TBA molecules still exhibit a tendency to associate at low concentrations that is somewhat stronger than that indicated by experiments. Finally, we discuss the range and decay times of the long-range correlations, providing an indication of the system size and simulation times that are necessary in order to obtain reliable results for certain properties.

Combination Rules for Morse-Based van der Waals Force Fields.

PubMed

Yang, Li; Sun, Lei; Deng, Wei-Qiao

2018-02-15

In traditional force fields (FFs), van der Waals interactions have been usually described by the Lennard-Jones potentials. Conventional combination rules for the parameters of van der Waals (VDW) cross-termed interactions were developed for the Lennard-Jones based FFs. Here, we report that the Morse potentials were a better function to describe VDW interactions calculated by highly precise quantum mechanics methods. A new set of combination rules was developed for Morse-based FFs, in which VDW interactions were described by Morse potentials. The new set of combination rules has been verified by comparing the second virial coefficients of 11 noble gas mixtures. For all of the mixed binaries considered in this work, the combination rules work very well and are superior to all three other existing sets of combination rules reported in the literature. We further used the Morse-based FF by using the combination rules to simulate the adsorption isotherms of CH 4 at 298 K in four covalent-organic frameworks (COFs). The overall agreement is great, which supports the further applications of this new set of combination rules in more realistic simulation systems.

Solvation Thermodynamics of Oligoglycine with Respect to Chain Length and Flexibility.

PubMed

Drake, Justin A; Harris, Robert C; Pettitt, B Montgomery

2016-08-23

Oligoglycine is a backbone mimic for all proteins and is prevalent in the sequences of intrinsically disordered proteins. We have computed the absolute chemical potential of glycine oligomers at infinite dilution by simulation with the CHARMM36 and Amber ff12SB force fields. We performed a thermodynamic decomposition of the solvation free energy (ΔG(sol)) of Gly2-5 into enthalpic (ΔH(sol)) and entropic (ΔS(sol)) components as well as their van der Waals and electrostatic contributions. Gly2-5 was either constrained to a rigid/extended conformation or allowed to be completely flexible during simulations to assess the effects of flexibility on these thermodynamic quantities. For both rigid and flexible oligoglycine models, the decrease in ΔG(sol) with chain length is enthalpically driven with only weak entropic compensation. However, the apparent rates of decrease of ΔG(sol), ΔH(sol), ΔS(sol), and their elec and vdw components differ for the rigid and flexible models. Thus, we find solvation entropy does not drive aggregation for this system and may not explain the collapse of long oligoglycines. Additionally, both force fields yield very similar thermodynamic scaling relationships with respect to chain length despite both force fields generating different conformational ensembles of various oligoglycine chains. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Nucleon form factors in dispersively improved chiral effective field theory: Scalar form factor

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

Alarcon Soriano, Jose Manuel; Weiss, Christian

We propose a method for calculating the nucleon form factors (FFs) ofmore » $G$-parity-even operators by combining Chiral Effective Field Theory ($$\\chi$$EFT) and dispersion analysis. The FFs are expressed as dispersive integrals over the two-pion cut at $$t > 4 M_\\pi^2$$. The spectral functions are obtained from the elastic unitarity condition and expressed as products of the complex $$\\pi\\pi \\rightarrow N\\bar N$$ partial-wave amplitudes and the timelike pion FF. $$\\chi$$EFT is used to calculate the ratio of the partial-wave amplitudes and the pion FF, which is real and free of $$\\pi\\pi$$ rescattering in the $t$-channel ($N/D$ method). The rescattering effects are then incorporated by multiplying with the squared modulus of the empirical pion FF. The procedure results in a marked improvement compared to conventional $$\\chi$$EFT calculations of the spectral functions. We apply the method to the nucleon scalar FF and compute the scalar spectral function, the scalar radius, the $t$-dependent FF, and the Cheng-Dashen discrepancy. Higher-order chiral corrections are estimated through the $$\\pi N$$ low-energy constants. Results are in excellent agreement with dispersion-theoretical calculations. We elaborate several other interesting aspects of our method. The results show proper scaling behavior in the large-$$N_c$$ limit of QCD because the $$\\chi$$EFT includes $N$ and $$\\Delta$$ intermediate states. The squared modulus of the timelike pion FF required by our method can be extracted from Lattice QCD calculations of vacuum correlation functions of the operator at large Euclidean distances. Our method can be applied to the nucleon FFs of other operators of interest, such as the isovector-vector current, the energy-momentum tensor, and twist-2 QCD operators (moments of generalized parton distributions).« less

Little Blue Dots in the Hubble Space Telescope Frontier Fields: Precursors to Globular Clusters?

NASA Astrophysics Data System (ADS)

Elmegreen, Debra Meloy; Elmegreen, Bruce G.

2017-12-01

Galaxies with stellar masses < {10}7.4 {M}ȯ and specific star formation rates {sSFR}> {10}-7.4 yr‑1 were examined on images of the Hubble Space Telescope Frontier Field Parallels for Abell 2744 and MACS J0416.1-02403. They appear as unresolved “Little Blue Dots” (LBDs). They are less massive and have higher specific star formation rates (sSFRs) than “blueberries” studied by Yang et al. and higher sSFRs than “Blue Nuggets” studied by Tacchella et al. We divided the LBDs into three redshift bins and, for each, stacked the B435, V606, and I814 images convolved to the same stellar point-spread function (PSF). Their radii were determined from PSF deconvolution to be ∼80 to ∼180 pc. The high sSFRs suggest that their entire stellar mass has formed in only 1% of the local age of the universe. The sSFRs at similar epochs in local dwarf galaxies are lower by a factor of ∼100. Assuming that the star formation rate is {ε }{ff}{M}{gas}/{t}{ff} for efficiency {ε }{ff}, gas mass M gas, and free-fall time, t ff, the gas mass and gas-to-star mass ratio are determined. This ratio exceeds 1 for reasonable efficiencies, and is likely to be ∼5 even with a high {ε }{ff} of 0.1. We consider whether these regions are forming today’s globular clusters. With their observed stellar masses, the maximum likely cluster mass is ∼ {10}5 {M}ȯ , but if star formation continues at the current rate for ∼ 10{t}{ff}∼ 50 {Myr} before feedback and gas exhaustion stop it, then the maximum cluster mass could become ∼ {10}6 {M}ȯ .

Nucleon form factors in dispersively improved chiral effective field theory: Scalar form factor

DOE PAGES

Alarcon Soriano, Jose Manuel; Weiss, Christian

2017-11-20

We propose a method for calculating the nucleon form factors (FFs) ofmore » $G$-parity-even operators by combining Chiral Effective Field Theory ($$\\chi$$EFT) and dispersion analysis. The FFs are expressed as dispersive integrals over the two-pion cut at $$t > 4 M_\\pi^2$$. The spectral functions are obtained from the elastic unitarity condition and expressed as products of the complex $$\\pi\\pi \\rightarrow N\\bar N$$ partial-wave amplitudes and the timelike pion FF. $$\\chi$$EFT is used to calculate the ratio of the partial-wave amplitudes and the pion FF, which is real and free of $$\\pi\\pi$$ rescattering in the $t$-channel ($N/D$ method). The rescattering effects are then incorporated by multiplying with the squared modulus of the empirical pion FF. The procedure results in a marked improvement compared to conventional $$\\chi$$EFT calculations of the spectral functions. We apply the method to the nucleon scalar FF and compute the scalar spectral function, the scalar radius, the $t$-dependent FF, and the Cheng-Dashen discrepancy. Higher-order chiral corrections are estimated through the $$\\pi N$$ low-energy constants. Results are in excellent agreement with dispersion-theoretical calculations. We elaborate several other interesting aspects of our method. The results show proper scaling behavior in the large-$$N_c$$ limit of QCD because the $$\\chi$$EFT includes $N$ and $$\\Delta$$ intermediate states. The squared modulus of the timelike pion FF required by our method can be extracted from Lattice QCD calculations of vacuum correlation functions of the operator at large Euclidean distances. Our method can be applied to the nucleon FFs of other operators of interest, such as the isovector-vector current, the energy-momentum tensor, and twist-2 QCD operators (moments of generalized parton distributions).« less

Inverted polymer solar cells with enhanced fill factor by inserting the potassium stearate interfacial modification layer

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

Li, Jiangsheng; Faculty of Materials Science and Chemical Engineering, Ningbo University, No. 818 Fenghua Road, Ningbo 315211; Jiu, Tonggang, E-mail: jiutonggang@nimte.ac.cn, E-mail: fangjf@nimte.ac.cn

2016-05-02

A thin potassium stearate (KSt) film combined with an optimized ZnO film was introduced to improve the fill factor (FF) of highly efficient inverted polymer solar cells (PSCs). Atomic force microscopy and contact angle measurements were used to show that the introduction of KSt did not change the morphology of interlayer. On the contrary, it is beneficial for the spread of the active layer on the interlayer. The origin of enhanced FF was systematically studied by the ideal current-voltage model for a single heterojunction solar cell and electrochemical impedance spectroscopy. On the basis of the data analysis, the reduced chargemore » recombination loss was responsible for this improved FF. At last, when KSt was replaced by sodium stearate (NaSt), the similar experiment phenomenon was observed. This indicates that inserting a metallic stearate modified layer is a promising strategy to enhance inverted PSCs performance.« less

Characterization and mechanical properties investigation of TiN-Ag films onto Ti-6Al-4V

NASA Astrophysics Data System (ADS)

Du, Dongxing; Liu, Daoxin; Zhang, Xiaohua; Tang, Jingang; Xiang, Dinggen

2016-03-01

To investigate their effect on fretting fatigue (FF) resistance of a Ti-6Al-4V alloy, hard solid lubricating composite films of TiN with varying silver contents (TiN-Ag) were deposited on a Ti-6Al-4V alloy using ion-assisted magnetron sputtering. The surface morphology and structure were analyzed by atomic force microscopy, X-ray diffractometry, X-ray photoelectron spectroscopy, and transmission electron microscopy. The hardness, bonding strength, and toughness of films were tested using a micro-hardness tester, scratch tester, and a repeated press-press test system that was manufactured in-house, respectively. The FF resistance of TiN-Ag composite films was studied using self-developed devices. The results show that the FF resistance of a titanium alloy can be improved by TiN-Ag composite films, which were fabricated using hard TiN coating doped with soft Ag. The FF life of Ag0.5, Ag2, Ag5, Ag10 and Ag20 composite films is 2.41, 3.18, 3.20, 2.94 and 2.87 times as great as that of the titanium alloy, respectively. This is because the composite films have the better toughness, friction lubrication, and high bonding strength. When the atomic fraction of Ag changes from 2% to 5%, the FF resistance of the composite films shows the best performance. This is attributed to the surface integrity of the composite film is sufficiently fine to prevent the initiation and early propagation of FF cracks.

Modifiying shallow-water equations as a model for wave-vortex turbulence

NASA Astrophysics Data System (ADS)

Mohanan, A. V.; Augier, P.; Lindborg, E.

2017-12-01

The one-layer shallow-water equations is a simple two-dimensional model to study the complex dynamics of the oceans and the atmosphere. We carry out forced-dissipative numerical simulations, either by forcing medium-scale wave modes, or by injecting available potential energy (APE). With pure wave forcing in non-rotating cases, a statistically stationary regime is obtained for a range of forcing Froude numbers Ff = ɛ /(kf c), where ɛ is the energy dissipation rate, kf the forcing wavenumber and c the wave speed. Interestingly, the spectra scale as k-2 and third and higher order structure functions scale as r. Such statistics is a manifestation of shock turbulence or Burgulence, which dominate the flow. Rotating cases exhibit some inverse energy cascade, along with a stronger forward energy cascade, dominated by wave-wave interactions. We also propose two modifications to the classical shallow-water equations to construct a toy model. The properties of the model are explored by forcing in APE at a small and a medium wavenumber. The toy model simulations are then compared with results from shallow-water equations and a full General Circulation Model (GCM) simulation. The most distinctive feature of this model is that, unlike shallow-water equations, it avoids shocks and conserves quadratic energy. In Fig. 1, for the shallow-water equations, shocks appear as thin dark lines in the divergence (∇ .{u}) field, and as discontinuities in potential temperature (θ ) field; whereas only waves appear in the corresponding fields from toy model simulation. Forward energy cascade results in a wave field with k-5/3 spectrum, along with equipartition of KE and APE at small scales. The vortical field develops into a k-3 spectrum. With medium forcing wavenumber, at large scales, energy converted from APE to KE undergoes inverse cascade as a result of nonlinear fluxes composed of vortical modes alone. Gradually, coherent vortices emerge with a strong preference for anticyclonic motion. The model can serve as a closer representation of real geophysical turbulence than the classical shallow-water equations. Fig 1. Divergence and potential temperature fields of shallow-water (top row) and toy model (bottom row) simulations.

Design and Test of a Hybrid Foot Force Sensing and GPS System for Richer User Mobility Activity Recognition

PubMed Central

Zhang, Zelun; Poslad, Stefan

2013-01-01

Wearable and accompanied sensors and devices are increasingly being used for user activity recognition. However, typical GPS-based and accelerometer-based (ACC) methods face three main challenges: a low recognition accuracy; a coarse recognition capability, i.e., they cannot recognise both human posture (during travelling) and transportation mode simultaneously, and a relatively high computational complexity. Here, a new GPS and Foot-Force (GPS + FF) sensor method is proposed to overcome these challenges that leverages a set of wearable FF sensors in combination with GPS, e.g., in a mobile phone. User mobility activities that can be recognised include both daily user postures and common transportation modes: sitting, standing, walking, cycling, bus passenger, car passenger (including private cars and taxis) and car driver. The novelty of this work is that our approach provides a more comprehensive recognition capability in terms of reliably recognising both human posture and transportation mode simultaneously during travel. In addition, by comparing the new GPS + FF method with both an ACC method (62% accuracy) and a GPS + ACC based method (70% accuracy) as baseline methods, it obtains a higher accuracy (95%) with less computational complexity, when tested on a dataset obtained from ten individuals. PMID:24189333

Qualitative investigation of fresh human scalp hair with full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Choi, Woo June; Pi, Long-Quan; Min, Gihyeon; Lee, Won-Soo; Lee, Byeong Ha

2012-03-01

We have investigated depth-resolved cellular structures of unmodified fresh human scalp hairs with ultrahigh-resolution full-field optical coherence tomography (FF-OCT). The Linnik-type white light interference microscope has been home-implemented to observe the micro-internal layers of human hairs in their natural environment. In hair shafts, FF-OCT has qualitatively revealed the cellular hair compartments of cuticle and cortex layers involved in keratin filaments and melanin granules. No significant difference between black and white hair shafts was observed except for absence of only the melanin granules in the white hair, reflecting that the density of the melanin granules directly affects the hair color. Anatomical description of plucked hair bulbs was also obtained with the FF-OCT in three-dimensions. We expect this approach will be useful for evaluating cellular alteration of natural hairs on cosmetic assessment or diagnosis of hair diseases.

Label-free characterization of vitrification-induced morphology changes in single-cell embryos with full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Zarnescu, Livia; Leung, Michael C.; Abeyta, Michael; Sudkamp, Helge; Baer, Thomas; Behr, Barry; Ellerbee, Audrey K.

2015-09-01

Vitrification is an increasingly popular method of embryo cryopreservation that is used in assisted reproductive technology. Although vitrification has high post-thaw survival rates compared to other freezing techniques, its long-term effects on embryo development are still poorly understood. We demonstrate an application of full-field optical coherence tomography (FF-OCT) to visualize the effects of vitrification on live single-cell (2 pronuclear) mouse embryos without harmful labels. Using FF-OCT, we observed that vitrification causes a significant increase in the aggregation of structures within the embryo cytoplasm, consistent with reports in literature based on fluorescence techniques. We quantify the degree of aggregation with an objective metric, the cytoplasmic aggregation (CA) score, and observe a high degree of correlation between the CA scores of FF-OCT images of embryos and of fluorescence images of their mitochondria. Our results indicate that FF-OCT shows promise as a label-free assessment of the effects of vitrification on embryo mitochondria distribution. The CA score provides a quantitative metric to describe the degree to which embryos have been affected by vitrification and could aid clinicians in selecting embryos for transfer.

Self-assembly of single-wall carbon nanotubes during the cooling process of hot carbon gas.

PubMed

Wen, Yushi; Zheng, Ke; Long, Xinping; Li, Ming; Xue, Xianggui; Dai, Xiaogan; Deng, Chuan

2018-04-25

In this work, self-assembly mechanism of single-wall carbon nanotube (SWCNT) during the annealing process of hot gaseous carbon is presented using reactive force field (ReaxFF)-based reactive molecular simulations. A series of simulations were performed on the evolution of reactive carbon gas. The simulation results show that the reactive carbon gas can be assembled into regular SWCNT without a catalyst. Five distinct stages of SWCNT self-assembly are proposed. For some initial configurations, the CNT was found to spin at an ultra-high rate after the nucleation. Graphical abstract Self-assembly process of single-wall carbon nanotube from the annealing of hot gaseous carbon.

Molecular Dynamics Studies of Thermal Induced Chemistry in Tatb

NASA Astrophysics Data System (ADS)

Quenneville, J.; Germann, T. C.; Thompson, A. P.; Kober, E. M.

2007-12-01

A reactive force field (ReaxFF) is used with molecular dynamics to probe the chemistry induced by intense heating (`accelerated cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 32-molecule simulations, we calculate the reaction rate as a function of temperature and compare the Arrhenius-predicted activation energy with experiment. Decomposition product evolution (mainly N2, H2O, CO2 and graphitic carbon clusters) is followed using a 576-molecule larger simulation, which also illustrates the effect of system size on both carbon clustering and reaction rate.

Far-field detection of sub-wavelength Tetris without extra near-field metal parts based on phase prints of time-reversed fields with intensive background interference.

PubMed

Chen, Yingming; Wang, Bing-Zhong

2014-07-14

Time-reversal (TR) phase prints are first used in far-field (FF) detection of sub-wavelength (SW) deformable scatterers without any extra metal structure positioned in the vicinity of the target. The 2D prints derive from discrete short-time Fourier transform of 1D TR electromagnetic (EM) signals. Because the time-invariant intensive background interference is effectively centralized by TR technique, the time-variant weak indication from FF SW scatterers can be highlighted. This method shows a different use of TR technique in which the focus peak of TR EM waves is unusually removed and the most useful information is conveyed by the other part.

Design of Feedforward Controller to Reduce Force Ripple for Linear Motor using Halbach Magnet Array with T Shape Magnet

NASA Astrophysics Data System (ADS)

Kim, Moojong; Kim, Jinyoung; Lee, Moon G.

Recently, in micro/nano fabrication equipments, linear motors are widely used as an actuator to position workpiece, machining tool and measurement head. To control them faster and more precise, the motor should have high actuating force and small force ripple. High actuating force enable us to more workpiece with high acceleration. Eventually, it may provide higher throughput. Force ripple gives detrimental effect on the precision and tracking performance of the equipments. In order to accomplish more precise motion, it is important to make lower the force ripple. Force ripple is categorized into cogging and mutual ripple. First is dependent on the shape of magnets and/or core. The second is not dependent on them but dependent on current commutation. In this work, coreless mover i.e. coil winding is applied to the linear motor to avoid the cogging ripple. Therefore, the mutual ripple is only considered to be minimized. Ideal Halbach magnet array has continuously varying magnetization. The THMA (Halbach magnet array with T shape magnets) is proposed to approximate the ideal one. The THMA can not produce ideal sinusoidal flux, therefore, the linear motor with THMA and sinusoidal commutation of current generates the mutual force ripple. In this paper, in order to compensate mutual force ripple by feedforward(FF) controller, we calculate the optimized commutation of input current. The ripple is lower than 1.17% of actuating force if the commutation current agree with the magnetic flux from THMA. The performance of feedforward(FF) controller is verified by experiment.

The combination of electrospray and flow focusing

NASA Astrophysics Data System (ADS)

Gañán-Calvo, Alfonso M.; López-Herrera, José M.; Riesco-Chueca, Pascual

2006-11-01

An ultra-fine liquid atomization procedure combining the advantages of electrospray and flow focusing is presented. Both techniques are known to produce strikingly small and steady liquid micro-jets issuing from menisci held by capillary forces. Such menisci take the form of a cusp-like drop attached to the feeding tube (flow focusing: FF) or a Taylor cone (electrospray: ES). The issuing micro-jets are forced or ‘sucked’ from the parent meniscus either by pressure or electrohydrodynamic forces. Subsequent capillary breakup of the jet leads to fine sprays of remarkable quality. Here we describe the joint effect of pressurization and electrification in a flow focusing device, and the subsequent coupling of both ES and FF phenomena. For any given liquid and flow rate, the combined procedure gives rise to significantly smaller droplet sizes than observed in any of the source techniques. The co-flowing gas stream removes space charges; in addition, the perforated plate facing the feed tube provides an electric barrier, shielding the jet-meniscus or ‘production’ area from the spray or ‘product’ area. As a result, space charges and electrified droplets are removed from the production area, thus avoiding the ambient electric saturation which becomes a limiting factor in ES-spraying: a significantly enhanced spraying stability ensues, with a much wider operation range than FF or ES. Other unexpected outcomes from the combination are also shown. A theoretical model is developed to predict the emitted droplet size: a first integral of the momentum equation yielding a generalized Bernoulli equation, and an explicit approximation for the jet diameter and droplet size, accurate within a broad parametrical band.

Intelligent Sensors for Atomization Processing of Molten Metals and Alloys

DTIC Science & Technology

1988-06-01

20ff. 12. Hirleman, Dan E. Particle Sizing by Optical , Nonimaging Techniques. Liquid Particle Size Measurement Techniques, ASTM, 1984, pp. 35ff. 13...sensors are based on electric, electromagnetic or optical principles, the latter being most developed in fields obviously related to atomization. Optical ...beams to observe various interference, diffraction, and heterodyning effects, and to observe, with high signal-to-noise ratio, even weak optical

FAST TRACK COMMUNICATION Temperature-driven phase transformation in self-assembled diphenylalanine peptide nanotubes

NASA Astrophysics Data System (ADS)

Heredia, A.; Bdikin, I.; Kopyl, S.; Mishina, E.; Semin, S.; Sigov, A.; German, K.; Bystrov, V.; Gracio, J.; Kholkin, A. L.

2010-11-01

Diphenylalanine (FF) peptide nanotubes (PNTs) represent a unique class of self-assembled functional biomaterials owing to a wide range of useful properties including nanostructural variability, mechanical rigidity and chemical stability. In addition, strong piezoelectric activity has recently been observed paving the way to their use as nanoscale sensors and actuators. In this work, we fabricated both horizontal and vertical FF PNTs and examined their optical second harmonic generation and local piezoresponse as a function of temperature. The measurements show a gradual decrease in polarization with increasing temperature accompanied by an irreversible phase transition into another crystalline phase at about 140-150 °C. The results are corroborated by the molecular dynamic simulations predicting an order-disorder phase transition into a centrosymmetric (possibly, orthorhombic) phase with antiparallel polarization orientation in neighbouring FF rings. Partial piezoresponse hysteresis indicates incomplete polarization switching due to the high coercive field in FF PNTs.

Puerto Rico Strong Motion Seismic Network

NASA Astrophysics Data System (ADS)

Huerta-Lopez, C. I.; Martínez-Cruzado, J. A.; Martínez-Pagan, J.; Santana-Torres, E. X.; Torres-O, D. M.

2014-12-01

The Puerto Rico Strong Motion Seismic Network is currently in charge of the operation of: (i) free-field (ff) strong motion stations, (ii) instrumented structures (STR) (Dams, Bridges, Buildings), and (iii) the data acquisition/monitoring and analysis of earthquakes considered strong from the point of view of their intensity and magnitude. All these instruments are deployed in the Puerto Rico Island (PRI), US-, and British-Virgin Islands (BVI), and Dominican Republic (DR). The Puerto Rico Island and the Caribbean region have high potential to be affected by earthquakes that could be catastrophic for the area. The Puerto Rico Strong Motion Seismic Network (actually Puerto Rico Strong Motion Program, PRSMP) has grown since 1970's from 7 ff strong motion stations and one instrumented building with analog accelerographs to 111 ff strong motion stations and 16 instrumented buildings with digital accelerographs: PRI: 88 ff, 16 STR., DR: 13 ff, BVI: 5 ff, 2 STR collecting data via IP (internet), DU (telephone), and stand alone stations The current stage of the PRSMP seismic network, the analysis of moderate earthquakes that were recorded and/or occurred on the island, results of the intensity distribution of selected earthquakes, as well as results of dynamic parameter identification of some of the instrumented structures are here presented.

Chemical Potentials, Activity Coefficients, and Solubility in Aqueous NaCl Solutions: Prediction by Polarizable Force Fields.

PubMed

Moučka, Filip; Nezbeda, Ivo; Smith, William R

2015-04-14

We describe a computationally efficient molecular simulation methodology for calculating the concentration dependence of the chemical potentials of both solute and solvent in aqueous electrolyte solutions, based on simulations of the salt chemical potential alone. We use our approach to study the predictions for aqueous NaCl solutions at ambient conditions of these properties by the recently developed polarizable force fields (FFs) AH/BK3 of Kiss and Baranyai (J. Chem. Phys. 2013, 138, 204507) and AH/SWM4-DP of Lamoureux and Roux (J. Phys. Chem. B 2006, 110, 3308 - 3322) and by the nonpolarizable JC FF of Joung and Cheatham tailored to SPC/E water (J. Phys. Chem. B 2008, 112, 9020 - 9041). We also consider their predictions of the concentration dependence of the electrolyte activity coefficient, the crystalline solid chemical potential, the electrolyte solubility, and the solution specific volume. We first highlight the disagreement in the literature concerning calculations of solubility by means of molecular simulation in the case of the JC FF and provide strong evidence of the correctness of our methodology based on recent independently obtained results for this important test case. We then compare the predictions of the three FFs with each other and with experiment and draw conclusions concerning their relative merits, with particular emphasis on the salt chemical potential and activity coefficient vs concentration curves and their derivatives. The latter curves have only previously been available from Kirkwood-Buff integrals, which require approximate numerical integrations over system pair correlation functions at each concentration. Unlike the case of the other FFs, the AH/BK3 curves are nearly parallel to the corresponding experimental curves at moderate and higher concentrations. This leads to an excellent prediction of the water chemical potential via the Gibbs-Duhem equation and enables the activity coefficient curve to be brought into excellent agreement with experiment by incorporating an appropriate value of the standard state chemical potential in the Henry Law convention.

Brownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models.

PubMed

Hsieh, Chih-Chen; Jain, Semant; Larson, Ronald G

2006-01-28

A very stiff finitely extensible nonlinear elastic (FENE)-Fraenkel spring is proposed to replace the rigid rod in the bead-rod model. This allows the adoption of a fast predictor-corrector method so that large time steps can be taken in Brownian dynamics (BD) simulations without over- or understretching the stiff springs. In contrast to the simple bead-rod model, BD simulations with beads and FENE-Fraenkel (FF) springs yield a random-walk configuration at equilibrium. We compare the simulation results of the free-draining bead-FF-spring model with those for the bead-rod model in relaxation, start-up of uniaxial extensional, and simple shear flows, and find that both methods generate nearly identical results. The computational cost per time step for a free-draining BD simulation with the proposed bead-FF-spring model is about twice as high as the traditional bead-rod model with the midpoint algorithm of Liu [J. Chem. Phys. 90, 5826 (1989)]. Nevertheless, computations with the bead-FF-spring model are as efficient as those with the bead-rod model in extensional flow because the former allows larger time steps. Moreover, the Brownian contribution to the stress for the bead-FF-spring model is isotropic and therefore simplifies the calculation of the polymer stresses. In addition, hydrodynamic interaction can more easily be incorporated into the bead-FF-spring model than into the bead-rod model since the metric force arising from the non-Cartesian coordinates used in bead-rod simulations is absent from bead-spring simulations. Finally, with our newly developed bead-FF-spring model, existing computer codes for the bead-spring models can trivially be converted to ones for effective bead-rod simulations merely by replacing the usual FENE or Cohen spring law with a FENE-Fraenkel law, and this convertibility provides a very convenient way to perform multiscale BD simulations.

Brownian dynamics simulations with stiff finitely extensible nonlinear elastic-Fraenkel springs as approximations to rods in bead-rod models

NASA Astrophysics Data System (ADS)

Hsieh, Chih-Chen; Jain, Semant; Larson, Ronald G.

2006-01-01

A very stiff finitely extensible nonlinear elastic (FENE)-Fraenkel spring is proposed to replace the rigid rod in the bead-rod model. This allows the adoption of a fast predictor-corrector method so that large time steps can be taken in Brownian dynamics (BD) simulations without over- or understretching the stiff springs. In contrast to the simple bead-rod model, BD simulations with beads and FENE-Fraenkel (FF) springs yield a random-walk configuration at equilibrium. We compare the simulation results of the free-draining bead-FF-spring model with those for the bead-rod model in relaxation, start-up of uniaxial extensional, and simple shear flows, and find that both methods generate nearly identical results. The computational cost per time step for a free-draining BD simulation with the proposed bead-FF-spring model is about twice as high as the traditional bead-rod model with the midpoint algorithm of Liu [J. Chem. Phys. 90, 5826 (1989)]. Nevertheless, computations with the bead-FF-spring model are as efficient as those with the bead-rod model in extensional flow because the former allows larger time steps. Moreover, the Brownian contribution to the stress for the bead-FF-spring model is isotropic and therefore simplifies the calculation of the polymer stresses. In addition, hydrodynamic interaction can more easily be incorporated into the bead-FF-spring model than into the bead-rod model since the metric force arising from the non-Cartesian coordinates used in bead-rod simulations is absent from bead-spring simulations. Finally, with our newly developed bead-FF-spring model, existing computer codes for the bead-spring models can trivially be converted to ones for effective bead-rod simulations merely by replacing the usual FENE or Cohen spring law with a FENE-Fraenkel law, and this convertibility provides a very convenient way to perform multiscale BD simulations.

Combat Support Forces (1C6C) Naval Surface Forces Requirements-based Budget Determination for Assault Craft Unit ONE

DTIC Science & Technology

2009-06-01

228,027 AUG 31,098 107,135 AUG - AUG 38,869 136,669 SEP 81,005 166,854 SEP 215,648 551,379 SEP - SEP 16,505 83,549 USS WHIPPLE (FF...Naval Supply System Command: Afloat Supply Procedures : Volume II. Retrived May 18, 2009, from Navy Storekeeper website: http://www.navystorekeeper.com

Secondary Structure of Rat and Human Amylin across Force Fields

PubMed Central

Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi-cheng; de Pablo, Juan J.

2015-01-01

The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states enable dynamic pathways that facilitate the formation of aggregates and, eventually, amyloid fibrils. PMID:26221949

Secondary structure of rat and human amylin across force fields

DOE PAGES

Hoffmann, Kyle Quynn; McGovern, Michael; Chiu, Chi -cheng; ...

2015-07-29

The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin wasmore » determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient states enable dynamic pathways that facilitate the formation of aggregates and, eventually, amyloid fibrils.« less

High-resolution handheld rigid endomicroscope based on full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Benoit a la Guillaume, Emilie; Martins, Franck; Boccara, Claude; Harms, Fabrice

2016-02-01

Full-field optical coherence tomography (FF-OCT) is a powerful tool for nondestructive assessment of biological tissue, i.e., for the structural examination of tissue in depth at a cellular resolution. Mostly known as a microscopy device for ex vivo analysis, FF-OCT has also been adapted to endoscopy setups since it shows good potential for in situ cancer diagnosis and biopsy guidance. Nevertheless, all the attempts to perform endoscopic FF-OCT imaging did not go beyond lab setups. We describe here, to the best of our knowledge, the first handheld FF-OCT endoscope based on a tandem interferometry assembly using incoherent illumination. A common-path passive imaging interferometer at the tip of an optical probe makes it robust and insensitive to environmental perturbations, and a low finesse Fabry-Perot processing interferometer guarantees a compact system. A good resolution (2.7 μm transverse and 6 μm axial) is maintained through the long distance, small diameter relay optics of the probe, and a good signal-to-noise ratio is achieved in a limited 100 ms acquisition time. High-resolution images and a movie of a rat brain slice have been recorded by moving the contact endoscope over the surface of the sample, allowing for tissue microscopic exploration at 20 μm under the surface. These promising ex vivo results open new perspectives for in vivo imaging of biological tissue, in particular, in the field of cancer and surgical margin assessment.

Forced Draft Blowers, Duct Work For

DTIC Science & Technology

1935-06-01

il l~!! · ;Jp iiH X j H ~ rt ’l ~t;Jn; J!1 ’’ild .at~ rfl: 1:;!( ~rLtf {: PJ : tf1 :~ff:’n’’ !lh1~rt ~1~ · ., , •.. ’ , l,l·,tr t’t’t,m,;l ~ ·rr. I I...Jii ~ ~ ~~~~·htt tt ill· IQ\\u ·· ~t ~ lrt 111 t{~ ifub!ilL 0ii :trtW!,ff.’ : · tj tf1 -l-!1 ’ ·• ll·ld~Htf ’II ’t 1 lrl lll ld u [ 1 · ~ :,· l~ltl

Secure TRNG with random phase stimulation

NASA Astrophysics Data System (ADS)

Wieczorek, Piotr Z.

2017-08-01

In this paper a novel TRNG concept is proposed which is a vital part of cryptographic systems. The proposed TRNG involves phase variability of a pair of ring oscillators (ROs) to force the multiple metastable events in a flip-flop (FF). In the solution, the ROs are periodically activated to ensure the violation of the FF timing and resultant state randomness, while the TRNG circuit adapts the structure of ROs to obtain the maximum entropy and circuit security. The TRNG can be implemented in inexpensive re-programmable devices (CPLDs or FPGAs) without the use of Digital Clock Managers (DCMs). Preliminary test results proved the circuit's immunity to the intentional frequency injection attacks.

Reactions of singly-reduced ethylene carbonate in lithium battery electrolytes: a molecular dynamics simulation study using the ReaxFF.

PubMed

Bedrov, Dmitry; Smith, Grant D; van Duin, Adri C T

2012-03-22

We have conducted quantum chemistry calculations and gas- and solution-phase reactive molecular dynamics simulation studies of reactions involving the ethylene carbonate (EC) radical anion EC(-) using the reactive force field ReaxFF. Our studies reveal that the substantial barrier for transition from the closed (cyclic) form, denoted c-EC(-), of the radical anion to the linear (open) form, denoted o-EC(-), results in a relatively long lifetime of the c-EC(-) allowing this compound to react with other singly reduced alkyl carbonates. Using ReaxFF, we systematically investigate the fate of both c-EC(-) and o-EC(-) in the gas phase and EC solution. In the gas phase and EC solutions with a relatively low concentration of Li(+)/x-EC(-) (where x = o or c), radical termination reactions between radical pairs to form either dilithium butylene dicarbonate (CH(2)CH(2)OCO(2)Li)(2) (by reacting two Li(+)/o-EC(-)) or ester-carbonate compound (by reacting Li(+)/o-EC(-) with Li(+)/c-EC(-)) are observed. At higher concentrations of Li(+)/x-EC(-) in solution, we observe the formation of diradicals which subsequently lead to formation of longer alkyl carbonates oligomers through reaction with other radicals or, in some cases, formation of (CH(2)OCO(2)Li)(2) through elimination of C(2)H(4). We conclude that the local ionic concentration is important in determining the fate of x-EC(-) and that the reaction of c-EC(-) with o-EC(-) may compete with the formation of various alkyl carbonates from o-EC(-)/o-EC(-) reactions. © 2012 American Chemical Society

Chronic Hypersensitivity Pneumonitis With a Usual Interstitial Pneumonia-Like Pattern: Correlation Between Histopathologic and Clinical Findings.

PubMed

Chiba, Sahoko; Tsuchiya, Kimitake; Akashi, Takumi; Ishizuka, Masahiro; Okamoto, Tsukasa; Furusawa, Haruhiko; Tateishi, Tomoya; Kishino, Mitsuhiro; Miyazaki, Yasunari; Tateishi, Ukihide; Takemura, Tamiko; Inase, Naohiko

2016-06-01

Hypersensitivity pneumonitis (HP) is an interstitial lung disease caused by the inhalation of environmental antigens. The relationship between clinical, radiologic, and histopathologic findings of chronic HP remains unclear. Sixteen patients with proven chronic bird-related HP with a usual interstitial pneumonia-like pattern were analyzed retrospectively. Histopathologic findings were semiquantitatively assessed and compared with clinical and radiologic findings. We also evaluated the histopathologic findings affecting prognosis. The extent of centrilobular fibrosis was negatively correlated with Pao2 (r = -0.55, P = .03). The extent of bridging fibrosis was positively correlated with the ratio of maximal expiratory flow at 50% of forced vital capacity to that at 25% (r = 0.60, P = .02). Patients with a greater extent of fibroblastic foci (FF) had more radiologic reticulation (P = .01), honeycombing (P = .01), and traction bronchiectasis (P = .02), and had significantly shorter survival time (P = .01) than patients with a lesser extent of FF. Multivariate analysis showed that the extent of FF was a significant prognostic factor (hazard ratio, 2.36; 95% confidence interval, 1.02-5.48; P = .04). Our findings demonstrated that the extent of FF was significantly associated with reticulation, honeycombing, and traction bronchiectasis on high-resolution CT scanning. Moreover, the extent of FF could be a useful predictor of mortality in chronic HP with a usual interstitial pneumonia-like pattern. Copyright © 2016 American College of Chest Physicians. Published by Elsevier Inc. All rights reserved.

Investigating the effect of tablet thickness and punch curvature on density distribution using finite elements method.

PubMed

Diarra, Harona; Mazel, Vincent; Busignies, Virginie; Tchoreloff, Pierre

2015-09-30

Finite elements method was used to study the influence of tablet thickness and punch curvature on the density distribution inside convex faced (CF) tablets. The modeling of the process was conducted on 2 pharmaceutical excipients (anhydrous calcium phosphate and microcrystalline cellulose) by using Drucker-Prager Cap model in Abaqus(®) software. The parameters of the model were obtained from experimental tests. Several punch shapes based on industrial standards were used. A flat-faced (FF) punch and 3 convex faced (CF) punches (8R11, 8R8 and 8R6) with a diameter of 8mm were chosen. Different tablet thicknesses were studied at a constant compression force. The simulation of the compaction of CF tablets with increasing thicknesses showed an important change on the density distribution inside the tablet. For smaller thicknesses, low density zones are located toward the center. The density is not uniform inside CF tablets and the center of the 2 faces appears with low density whereas the distribution inside FF tablets is almost independent of the tablet thickness. These results showed that FF and CF tablets, even obtained at the same compression force, do not have the same density at the center of the compact. As a consequence differences in tensile strength, as measured by diametral compression, are expected. This was confirmed by experimental tests. Copyright © 2015 Elsevier B.V. All rights reserved.

Cyber Friendly Fire

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

Greitzer, Frank L.; Carroll, Thomas E.; Roberts, Adam D.

Cyber friendly fire (FF) is a new concept that has been brought to the attention of Department of Defense (DoD) stakeholders through two workshops that were planned and conducted by the Air Force Research Laboratory (AFRL) and research conducted for AFRL by the Pacific Northwest National Laboratory. With this previous work in mind, we offer a definition of cyber FF as intentional offensive or defensive cyber/electronic actions intended to protect cyber systems against enemy forces or to attack enemy cyber systems, which unintentionally harms the mission effectiveness of friendly or neutral forces. Just as with combat friendly fire, a fundamentalmore » need in avoiding cyber FF is to maintain situation awareness (SA). We suggest that cyber SA concerns knowledge of a system's topology (connectedness and relationships of the nodes in a system), and critical knowledge elements such as the characteristics and vulnerabilities of the components that comprise the system (and that populate the nodes), the nature of the activities or work performed, and the available defensive (and offensive) countermeasures that may be applied to thwart network attacks. A training implication is to raise awareness and understanding of these critical knowledge units; an approach to decision aids and/or visualizations is to focus on supporting these critical knowledge units. To study cyber FF, we developed an unclassified security test range comprising a combination of virtual and physical devices that present a closed network for testing, simulation, and evaluation. This network offers services found on a production network without the associated costs of a real production network. Containing enough detail to appear realistic, this virtual and physical environment can be customized to represent different configurations. For our purposes, the test range was configured to appear as an Internet-connected Managed Service Provider (MSP) offering specialized web applications to the general public. The network is essentially divided into a production component that hosts the web and network services, and a user component that hosts thirty employee workstations and other end devices. The organization's network is separated from the Internet by a Cisco ASA network security device that both firewalls and detects intrusions. Business sensitive information is stored in various servers. This includes data comprising thousands of internal documents, such as finance and technical designs, email messages for the organization's employees including the CEO, CFO, and CIO, the organization's source code, and Personally Identifiable client data. Release of any of this information to unauthorized parties would have a significant, detrimental impact on the organization's reputation, which would harm earnings. The valuable information stored in these servers pose obvious points of interest for an adversary. We constructed several scenarios around this environment to support studies in cyber SA and cyber FF that may be run in the test range. We describe mitigation strategies to combat cyber FF including both training concepts and suggestions for decision aids and visualization approaches. Finally, we discuss possible future research directions.« less

Image restoration method based on Hilbert transform for full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Na, Jihoon; Choi, Woo June; Choi, Eun Seo; Ryu, Seon Young; Lee, Byeong Ha

2008-01-01

A full-field optical coherence tomography (FF-OCT) system utilizing a simple but novel image restoration method suitable for a high-speed system is demonstrated. An en-face image is retrieved from only two phase-shifted interference fringe images through using the mathematical Hilbert transform. With a thermal light source, a high-resolution FF-OCT system having axial and transverse resolutions of 1 and 2.2 μm, respectively, was implemented. The feasibility of the proposed scheme is confirmed by presenting the obtained en-face images of biological samples such as a piece of garlic and a gold beetle. The proposed method is robust to the error in the amount of the phase shift and does not leave residual fringes. The use of just two interference images and the strong immunity to phase errors provide great advantages in the imaging speed and the system design flexibility of a high-speed high-resolution FF-OCT system.

Optimization of Analytical Potentials for Coarse-Grained Biopolymer Models.

PubMed

Mereghetti, Paolo; Maccari, Giuseppe; Spampinato, Giulia Lia Beatrice; Tozzini, Valentina

2016-08-25

The increasing trend in the recent literature on coarse grained (CG) models testifies their impact in the study of complex systems. However, the CG model landscape is variegated: even considering a given resolution level, the force fields are very heterogeneous and optimized with very different parametrization procedures. Along the road for standardization of CG models for biopolymers, here we describe a strategy to aid building and optimization of statistics based analytical force fields and its implementation in the software package AsParaGS (Assisted Parameterization platform for coarse Grained modelS). Our method is based on the use and optimization of analytical potentials, optimized by targeting internal variables statistical distributions by means of the combination of different algorithms (i.e., relative entropy driven stochastic exploration of the parameter space and iterative Boltzmann inversion). This allows designing a custom model that endows the force field terms with a physically sound meaning. Furthermore, the level of transferability and accuracy can be tuned through the choice of statistical data set composition. The method-illustrated by means of applications to helical polypeptides-also involves the analysis of two and three variable distributions, and allows handling issues related to the FF term correlations. AsParaGS is interfaced with general-purpose molecular dynamics codes and currently implements the "minimalist" subclass of CG models (i.e., one bead per amino acid, Cα based). Extensions to nucleic acids and different levels of coarse graining are in the course.

Modified Amber Force Field Correctly Models the Conformational Preference for Tandem GA pairs in RNA

PubMed Central

2015-01-01

Molecular mechanics with all-atom models was used to understand the conformational preference of tandem guanine-adenine (GA) noncanonical pairs in RNA. These tandem GA pairs play important roles in determining stability, flexibility, and structural dynamics of RNA tertiary structures. Previous solution structures showed that these tandem GA pairs adopt either imino (cis Watson–Crick/Watson–Crick A-G) or sheared (trans Hoogsteen/sugar edge A-G) conformations depending on the sequence and orientation of the adjacent closing base pairs. The solution structures (GCGGACGC)2 [Biochemistry, 1996, 35, 9677–9689] and (GCGGAUGC)2 [Biochemistry, 2007, 46, 1511–1522] demonstrate imino and sheared conformations for the two central GA pairs, respectively. These systems were studied using molecular dynamics and free energy change calculations for conformational changes, using umbrella sampling. For the structures to maintain their native conformations during molecular dynamics simulations, a modification to the standard Amber ff10 force field was required, which allowed the amino group of guanine to leave the plane of the base [J. Chem. Theory Comput., 2009, 5, 2088–2100] and form out-of-plane hydrogen bonds with a cross-strand cytosine or uracil. The requirement for this modification suggests the importance of out-of-plane hydrogen bonds in stabilizing the native structures. Free energy change calculations for each sequence demonstrated the correct conformational preference when the force field modification was used, but the extent of the preference is underestimated. PMID:24803859

Impact of calcium on N1 influenza neuraminidase dynamics and binding free energy.

PubMed

Lawrenz, Morgan; Wereszczynski, Jeff; Amaro, Rommie; Walker, Ross; Roitberg, Adrian; McCammon, J Andrew

2010-08-15

The highly pathogenic influenza strains H5N1 and H1N1 are currently treated with inhibitors of the viral surface protein neuraminidase (N1). Crystal structures of N1 indicate a conserved, high affinity calcium binding site located near the active site. The specific role of this calcium in the enzyme mechanism is unknown, though it has been shown to be important for enzymatic activity and thermostability. We report molecular dynamics (MD) simulations of calcium-bound and calcium-free N1 complexes with the inhibitor oseltamivir (marketed as the drug Tamiflu), independently using both the AMBER FF99SB and GROMOS96 force fields, to give structural insight into calcium stabilization of key framework residues. Y347, which demonstrates similar sampling patterns in the simulations of both force fields, is implicated as an important N1 residue that can "clamp" the ligand into a favorable binding pose. Free energy perturbation and thermodynamic integration calculations, using two different force fields, support the importance of Y347 and indicate a +3 to +5 kcal/mol change in the binding free energy of oseltamivir in the absence of calcium. With the important role of structure-based drug design for neuraminidase inhibitors and the growing literature on emerging strains and subtypes, inclusion of this calcium for active site stability is particularly crucial for computational efforts such as homology modeling, virtual screening, and free energy methods. 2010 Wiley-Liss, Inc.

Double Donut Schmidt Camera, a wide-field, large-aperture, and lightweight space telescope for the detection of ultrahigh energy cosmic rays.

PubMed

Sandri, Paolo; Mazzinghi, Piero; Da Deppo, Vania

2018-04-20

A wide-field, large-aperture, and lightweight Schmidt configuration has been studied for a space mission proposal named Extreme Universe Space Observatory free flyer (EUSO-FF). EUSO-FF will be devoted to the study of ultrahigh energy cosmic rays, i.e., with energy >5×10 19   eV, through the detection of UV fluorescence light emitted by air showers in the Earth's atmosphere. The proposed telescope has a field of view of about 50° and an entrance pupil diameter of 4.2 m. The mirror is deployable and segmented to fit the diameter of the launcher fairing; the corrector is a lightweight annular corona.

Validation of full-field optical coherence tomography in distinguishing malignant and benign tissue in resected pancreatic cancer specimens

PubMed Central

Fariña-Sarasqueta, Arantza; de Haan, Lorraine M.; Eggermont, Jeroen; Bonsing, Bert A.; Morreau, Hans; Lelieveldt, Boudewijn P. F.; van de Velde, Cornelis J. H.; Vahrmeijer, Alexander L.; Dijkstra, Jouke

2017-01-01

Background Pancreatic cancer is the fourth leading cause of cancer-related mortality in the United States. The minority of patients can undergo curative-intended surgical therapy due to progressive disease stage at time of diagnosis. Nonetheless, tumor involvement of surgical margins is seen in up to 70% of resections, being a strong negative prognostic factor. Real-time intraoperative imaging modalities may aid surgeons to obtain tumor-free resection margins. Full-field optical coherence tomography (FF-OCT) is a promising diagnostic tool using high-resolution white-light interference microscopy without tissue processing. Therefore, we composed an atlas of FF-OCT images of malignant and benign pancreatic tissue, and investigated the accuracy with which the pathologists could distinguish these. Materials and methods One hundred FF-OCT images were collected from specimens of 29 patients who underwent pancreatic resection for various indications between 2014 and 2016. One experienced gastrointestinal pathologist and one pathologist in training scored independently the FF-OCT images as malignant or benign blinded to the final pathology conclusion. Results were compared to those obtained with standard hematoxylin and eosin (H&E) slides. Results Overall, combined test characteristics of both pathologists showed a sensitivity of 72%, specificity of 74%, positive predictive value of 69%, negative predictive value of 79% and an overall accuracy of 73%. In the subset of pancreatic ductal adenocarcinoma patients, 97% of the FF-OCT images (n = 35) were interpreted as tumor by at least one pathologist. Moreover, normal pancreatic tissue was recognised in all cases by at least one pathologist. However, atrophy and fibrosis, serous cystadenoma and neuroendocrine tumors were more often wrongly scored, in 63%, 100% and 25% respectively. Conclusion FF-OCT could distinguish normal pancreatic tissue from pathologic pancreatic tissue in both processed as non-processed specimens using architectural features. The accuracy in pancreatic ductal adenocarcinoma is promising and warrants further evaluation using improved assessment criteria. PMID:28414765

Continuity of the West Napa–Franklin fault zone inferred from guided waves generated by earthquakes following the 24 August 2014 Mw 6.0 South Napa earthquake

USGS Publications Warehouse

Catchings, Rufus D.; Goldman, Mark R.; Li, Yong-Gang; Chan, Joanne

2016-01-01

We measure peak ground velocities from fault‐zone guided waves (FZGWs), generated by on‐fault earthquakes associated with the 24 August 2014 Mw 6.0 South Napa earthquake. The data were recorded on three arrays deployed across north and south of the 2014 surface rupture. The observed FZGWs indicate that the West Napa fault zone (WNFZ) and the Franklin fault (FF) are continuous in the subsurface for at least 75 km. Previously published potential‐field data indicate that the WNFZ extends northward to the Maacama fault (MF), and previous geologic mapping indicates that the FF extends southward to the Calaveras fault (CF); this suggests a total length of at least 110 km for the WNFZ–FF. Because the WNFZ–FF appears contiguous with the MF and CF, these faults apparently form a continuous Calaveras–Franklin–WNFZ–Maacama (CFWM) fault that is second only in length (∼300  km) to the San Andreas fault in the San Francisco Bay area. The long distances over which we observe FZGWs, coupled with their high amplitudes (2–10 times the S waves) suggest that strong shaking from large earthquakes on any part of the CFWM fault may cause far‐field amplified fault‐zone shaking. We interpret guided waves and seismicity cross sections to indicate multiple upper crustal splays of the WNFZ–FF, including a northward extension of the Southhampton fault, which may cause strong shaking in the Napa Valley and the Vallejo area. Based on travel times from each earthquake to each recording array, we estimate average P‐, S‐, and guided‐wave velocities within the WNFZ–FF (4.8–5.7, 2.2–3.2, and 1.1–2.8  km/s, respectively), with FZGW velocities ranging from 58% to 93% of the average S‐wave velocities.

Insights into Feast-Famine polyhydroxyalkanoate (PHA)-producer selection: Microbial community succession, relationships with system function and underlying driving forces.

PubMed

Huang, Long; Chen, Zhiqiang; Wen, Qinxue; Zhao, Lizhi; Lee, Duu-Jong; Yang, Lian; Wang, Yao

2017-12-18

The Feast-Famine (FF) process has been frequently used to select polyhydroxyalkanoate (PHA)-accumulating mixed cultures (MCs), but there has been little insight into the ecophysiology of the microbial community during the selection process. In three FF systems with well-defined conditions, synchronized variations in higher-order properties of MCs and complicate microbial community succession mainly including enrichment and elimination of non-top competitors and unexpected turnover of top competitors, were observed. Quantification of PHA-accumulating function genes (phaC) revealed that the top competitors maintained the PHA synthesis by playing consecutive roles when the highly dynamic turnover occurred. Due to its specific physiological characteristics during the PHA-accumulating process, Thauera strain OTU 7 was found to be responsible for the fluctuating SVI, which threatened the robustness of the FF system. This trait was also responsible for its later competitive exclusion by the other PHA-producer, Paracoccus strain OTU 1. Deterministic processes dominated the entire FF system, resulting in the inevitable microbial community succession in the acclimation phase and maintenance of the stable PHA-accumulating function in the maturation phase. However, neutral processes, likely caused by predation from bacterial phages, also occurred, which led to the unpredictable temporal dynamics of the top competitors. Copyright © 2017. Published by Elsevier Ltd.

Self-enhanced catalytic activities of functionalized graphene sheets in the combustion of nitromethane: molecular dynamic simulations by molecular reactive force field.

PubMed

Zhang, Chaoyang; Wen, Yushi; Xue, Xianggui

2014-08-13

Functionalized graphene sheet (FGS) is a promising additive that enhances fuel/propellant combustion, and the determination of its mechanism has attracted much interest. In the present study, a series of molecular dynamic simulations based on a reactive force field (ReaxFF) are performed to explore the catalytic activity (CA) of FGS in the thermal decay of nitromethane (NM, CH3NO2). FGSs and pristine graphene sheets (GSs) are oxidized in hot NM liquid to increase their functionalities and subsequently show self-enhanced CAs during the decay. The CAs result from the interatomic exchanges between the functional groups on the sheets and the NM liquid, i.e., mainly between H and O atoms. CA is dependent on the density of NM, functionalities of sheets, and temperature. The GSs and FGSs that originally exhibit different functionalities tend to possess similar functionalities and consequently similar CAs as temperature increases. Other carbon materials and their oxides can accelerate combustion of other fuels/propellants similar to NM, provided that they can be dispersed and their key reaction steps in combustion are similar to NM.

Multimodal full-field optical coherence tomography on biological tissue: toward all optical digital pathology

NASA Astrophysics Data System (ADS)

Harms, F.; Dalimier, E.; Vermeulen, P.; Fragola, A.; Boccara, A. C.

2012-03-01

Optical Coherence Tomography (OCT) is an efficient technique for in-depth optical biopsy of biological tissues, relying on interferometric selection of ballistic photons. Full-Field Optical Coherence Tomography (FF-OCT) is an alternative approach to Fourier-domain OCT (spectral or swept-source), allowing parallel acquisition of en-face optical sections. Using medium numerical aperture objective, it is possible to reach an isotropic resolution of about 1x1x1 ìm. After stitching a grid of acquired images, FF-OCT gives access to the architecture of the tissue, for both macroscopic and microscopic structures, in a non-invasive process, which makes the technique particularly suitable for applications in pathology. Here we report a multimodal approach to FF-OCT, combining two Full-Field techniques for collecting a backscattered endogeneous OCT image and a fluorescence exogeneous image in parallel. Considering pathological diagnosis of cancer, visualization of cell nuclei is of paramount importance. OCT images, even for the highest resolution, usually fail to identify individual nuclei due to the nature of the optical contrast used. We have built a multimodal optical microscope based on the combination of FF-OCT and Structured Illumination Microscopy (SIM). We used x30 immersion objectives, with a numerical aperture of 1.05, allowing for sub-micron transverse resolution. Fluorescent staining of nuclei was obtained using specific fluorescent dyes such as acridine orange. We present multimodal images of healthy and pathological skin tissue at various scales. This instrumental development paves the way for improvements of standard pathology procedures, as a faster, non sacrificial, operator independent digital optical method compared to frozen sections.

Time Correlations of Lightning Flash Sequences in Thunderstorms Revealed by Fractal Analysis

NASA Astrophysics Data System (ADS)

Gou, Xueqiang; Chen, Mingli; Zhang, Guangshu

2018-01-01

By using the data of lightning detection and ranging system at the Kennedy Space Center, the temporal fractal and correlation of interevent time series of lightning flash sequences in thunderstorms have been investigated with Allan factor (AF), Fano factor (FF), and detrended fluctuation analysis (DFA) methods. AF, FF, and DFA methods are powerful tools to detect the time-scaling structures and correlations in point processes. Totally 40 thunderstorms with distinguishing features of a single-cell storm and apparent increase and decrease in the total flash rate were selected for the analysis. It is found that the time-scaling exponents for AF (αAF) and FF (αFF) analyses are 1.62 and 0.95 in average, respectively, indicating a strong time correlation of the lightning flash sequences. DFA analysis shows that there is a crossover phenomenon—a crossover timescale (τc) ranging from 54 to 195 s with an average of 114 s. The occurrence of a lightning flash in a thunderstorm behaves randomly at timescales <τc but shows strong time correlation at scales >τc. Physically, these may imply that the establishment of an extensive strong electric field necessary for the occurrence of a lightning flash needs a timescale >τc, which behaves strongly time correlated. But the initiation of a lightning flash within a well-established extensive strong electric field may involve the heterogeneities of the electric field at a timescale <τc, which behave randomly.

High-resolution imaging of biological tissue with full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Zhu, Yue; Gao, Wanrong

2015-03-01

A new full-field optical coherence tomography system with high-resolution has been developed for imaging of cells and tissues. Compared with other FF-OCT (Full-field optical coherence tomography, FF-OCT) systems illuminated with optical fiber bundle, the improved Köhler illumination arrangement with a halogen lamp was used in the proposed FF-OCT system. High numerical aperture microscopic objectives were used for imaging and a piezoelectric ceramic transducer (PZT) was used for phase-shifting. En-face tomographic images can be obtained by applying the five-step phase-shifting algorithm to a series of interferometric images which are recorded by a smart camera. Three-dimensional images can be generated from these tomographic images. Imaging of the chip of Intel Pentium 4 processor demonstrated the ultrahigh resolution of the system (lateral resolution is 0.8μm ), which approaches the theoretical resolution 0.7 μm× 0.5 μm (lateral × axial). En-face images of cells of onion show an excellent performance of the system in generating en-face images of biological tissues. Then, unstained pig stomach was imaged as a tissue and gastric pits could be easily recognized using FF-OCT system. Our study provides evidence for the potential ability of FFOCT in identifying gastric pits from pig stomach tissue. Finally, label-free and unstained ex vivo human liver tissues from both normal and tumor were imaged with this FFOCT system. The results show that the setup has the potential for medical diagnosis applications such liver cancer diagnosis.

Full-field optical coherence tomography image restoration based on Hilbert transformation

NASA Astrophysics Data System (ADS)

Na, Jihoon; Choi, Woo June; Choi, Eun Seo; Ryu, Seon Young; Lee, Byeong Ha

2007-02-01

We propose the envelope detection method that is based on Hilbert transform for image restoration in full-filed optical coherence tomography (FF-OCT). The FF-OCT system presenting a high-axial resolution of 0.9 μm was implemented with a Kohler illuminator based on Linnik interferometer configuration. A 250 W customized quartz tungsten halogen lamp was used as a broadband light source and a CCD camera was used as a 2-dimentional detector array. The proposed image restoration method for FF-OCT requires only single phase-shifting. By using both the original and the phase-shifted images, we could remove the offset and the background signals from the interference fringe images. The desired coherent envelope image was obtained by applying Hilbert transform. With the proposed image restoration method, we demonstrate en-face imaging performance of the implemented FF-OCT system by presenting a tilted mirror surface, an integrated circuit chip, and a piece of onion epithelium.

Efficacy and safety of fluticasone furoate 100 μg once-daily in patients with persistent asthma: a 24-week placebo and active-controlled randomised trial.

PubMed

Lötvall, Jan; Bleecker, Eugene R; Busse, William W; O'Byrne, Paul M; Woodcock, Ashley; Kerwin, Edward M; Stone, Sally; Forth, Richard; Jacques, Loretta; Bateman, Eric D

2014-01-01

Inhaled corticosteroids (ICSs) improve asthma disease control; once-daily ICS administration may have advantages for patients. Our objective was to assess the efficacy and safety of the novel ICS fluticasone furoate (FF) over 24 weeks versus placebo. This was a 24-week double-blind, double-dummy, placebo- and active-controlled study (NCT01159912) of 343 asthma patients (≥12 years) not controlled by their current ICS. Patients were randomised (1:1:1) to FF100 μg, placebo (both administered once-daily [OD] via ELLIPTA™ dry powder inhaler in the evening) or fluticasone propionate (FP) 250 μg (administered twice-daily (BD) via DISKUS™/ACCUHALER™). Primary endpoint was change from baseline in pre-dose evening forced expiratory volume in 1s (FEV1) at Week 24; change from baseline in % rescue-free 24-h periods was a powered secondary endpoint. Adverse events (AEs) were assessed. FF100 μg OD and FP250 μg BD significantly improved pre-dose evening FEV1 compared with placebo at Week 24 (+146 ml [p = 0.009] and +145 ml [p = 0.011], respectively). Percentage of rescue-free 24-h periods was increased with FF100 μg OD (+14.8%) and FP250 μg BD (+17.9%) compared to placebo (both p < 0.001). On-treatment AEs were reported by 53% (FF100 μg OD), 42% (FP250 μg BD) and 40% (placebo) of patients. On-treatment severe asthma exacerbations were lower with FF100 μg OD (3%) and FP250 μg BD (2%) than placebo (7%). There was significant suppression of urinary cortisol at week 24 with FF100 μg OD (p = 0.030) and FP250 μg BD (p = 0.036) relative to placebo. FF100 μg OD, administered in the evening, achieves significant improvements in lung function and rescue inhaler use over 24 weeks, comparable to FP250 μg BD with similar safety profile. Copyright © 2013 The Authors. Published by Elsevier Ltd.. All rights reserved.

Role of electrostatic interactions in binding of peptides and intrinsically disordered proteins to their folded targets. 1. NMR and MD characterization of the complex between the c-Crk N-SH3 domain and the peptide Sos.

PubMed

Xue, Yi; Yuwen, Tairan; Zhu, Fangqiang; Skrynnikov, Nikolai R

2014-10-21

Intrinsically disordered proteins (IDPs) often rely on electrostatic interactions to bind their structured targets. To obtain insight into the mechanism of formation of the electrostatic encounter complex, we investigated the binding of the peptide Sos (PPPVPPRRRR), which serves as a minimal model for an IDP, to the c-Crk N-terminal SH3 domain. Initially, we measured ¹⁵N relaxation rates at two magnetic field strengths and determined the binding shifts for the complex of Sos with wild-type SH3. We have also recorded a 3 μs molecular dynamics (MD) trajectory of this complex using the Amber ff99SB*-ILDN force field. The comparison of the experimental and simulated data shows that MD simulation consistently overestimates the strength of salt bridge interactions at the binding interface. The series of simulations using other advanced force fields also failed to produce any satisfactory results. To address this issue, we have devised an empirical correction to the Amber ff99SB*-ILDN force field whereby the Lennard-Jones equilibrium distance for the nitrogen-oxygen pair across the Arg-to-Asp and Arg-to-Glu salt bridges has been increased by 3%. Implementing this correction resulted in a good agreement between the simulations and the experiment. Adjusting the strength of salt bridge interactions removed a certain amount of strain contained in the original MD model, thus improving the binding of the hydrophobic N-terminal portion of the peptide. The arginine-rich C-terminal portion of the peptide, freed from the effect of the overstabilized salt bridges, was found to interconvert more rapidly between its multiple conformational states. The modified MD protocol has also been successfully used to simulate the entire binding process. In doing so, the peptide was initially placed high above the protein surface. It then arrived at the correct bound pose within ∼2 Å of the crystallographic coordinates. This simulation allowed us to analyze the details of the dynamic binding intermediate, i.e., the electrostatic encounter complex. However, an experimental characterization of this transient, weakly populated state remains out of reach. To overcome this problem, we designed the double mutant of c-Crk N-SH3 in which mutations Y186L and W169F abrogate tight Sos binding and shift the equilibrium toward the intermediate state resembling the electrostatic encounter complex. The results of the combined NMR and MD study of this engineered system will be reported in the next part of this paper.

Effect of single alien chromosome from shallot (Allium cepa L. Aggregatum group) on carbohydrate production in leaf blade of bunching onion (A. fistulosum L.).

PubMed

Hang, Tran Thi Minh; Shigyo, Masayoshi; Yaguchi, Shigenori; Yamauchi, Naoki; Tashiro, Yosuke

2004-12-01

We used a complete set of Allium fistulosum - shallot (A. cepa Aggregatum group) monosomic addition lines (FF+1A - FF+8A) to identify shallot chromosomes affecting the production of sugars. In the alien addition lines grown over two years in an experimental field at Yamaguchi University (34 degrees N, 131 degrees E), shallot chromosomes 2A and 8A altered sugar contents in leaf-bunching onion (A. fistulosum). Except for FF+2A, every monosomic addition accumulated non-reducing sugars in winter leaf blades. FF+8A caused an increase in the amounts of non-reducing sugars in the winter. FF+2A hardly produced non-reducing sugar throughout the two-year study. These results indicated that genes related to non-reducing sugar metabolism are located on the 2A and 8A chromosomes. The results of regression analyses using 2002 data on A. fistulosum and the monosomic addition set revealed a correlation (r = 0.63 +/- 0.07; mean +/- SE., n = 9) between reducing sugar and monosaccharide (Glc+Fru) contents but no correlation between non-reducing sugar and sucrose contents. This result indicates the existence of other polysaccharides (e.g., scorodose) as non-reducing sugars in the leaf blade.

Shortcuts to adiabaticity using flow fields

NASA Astrophysics Data System (ADS)

Patra, Ayoti; Jarzynski, Christopher

2017-12-01

A shortcut to adiabaticity is a recipe for generating adiabatic evolution at an arbitrary pace. Shortcuts have been developed for quantum, classical and (most recently) stochastic dynamics. A shortcut might involve a counterdiabatic (CD) Hamiltonian that causes a system to follow the adiabatic evolution at all times, or it might utilize a fast-forward (FF) potential, which returns the system to the adiabatic path at the end of the process. We develop a general framework for constructing shortcuts to adiabaticity from flow fields that describe the desired adiabatic evolution. Our approach encompasses quantum, classical and stochastic dynamics, and provides surprisingly compact expressions for both CD Hamiltonians and FF potentials. We illustrate our method with numerical simulations of a model system, and we compare our shortcuts with previously obtained results. We also consider the semiclassical connections between our quantum and classical shortcuts. Our method, like the FF approach developed by previous authors, is susceptible to singularities when applied to excited states of quantum systems; we propose a simple, intuitive criterion for determining whether these singularities will arise, for a given excited state.

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

Yang, Liang; Wang, C. Z.; Lin, Shiwei

Understanding of metal oxidation is very critical to corrosion control, catalysis synthesis, and advanced materials engineering. Metal oxidation is a very complex phenomenon, with many different processes which are coupled and involved from the onset of reaction. In this work, the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics (MD) simulations using a reactive force field (ReaxFF). We show that oxygen transport is the dominant process during the initial oxidation. Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titaniummore » (0001) surface and further prevented oxidation in the deeper layers. As a result, the mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.« less

Hot spot initiation and chemical reaction in shocked polymeric bonded explosives

NASA Astrophysics Data System (ADS)

An, Qi; Zybin, Sergey; Jaramillo-Botero, Andres; Goddard, William; Materials; Process Simulation Center, Caltech Team

2011-06-01

A polymer bonded explosive (PBX) model based on PBXN-106 is studied via molecular dynamics (MD) simulations using reactive force field (ReaxFF) under shock loading conditions. Hotspot is observed when shock waves pass through the non-planar interface of explosives and elastomers. Adiabatic shear localization is proposed as the main mechanism of hotspot ignition in PBX for high velocity impact. Our simulation also shows that the coupling of shear localization and chemical reactions at hotspot region play important rules at stress relaxtion for explosives. The phenomenon that shock waves are obsorbed by elastomers is also observed in the MD simulations. This research received supports from ARO (W911NF-05-1-0345; W911NF-08-1-0124), ONR (N00014-05-1-0778), and Los Alamos National Laboratory (LANL).

Digital Game-Based Learning (DGBL) in the L2 Classroom: The Impact of the UN's Off-the-Shelf Videogame, Food Force, on Learner Affect and Vocabulary Retention

ERIC Educational Resources Information Center

Hitosugi, Claire Ikumi; Schmidt, Matthew; Hayashi, Kentaro

2014-01-01

This mixed-method study explored the impact of "Food Force (FF)", a UN-sponsored off-the-shelf videogame, on learner affect and vocabulary learning and retention in a Japanese as a second/foreign language classroom. The videogame was integrated into an existing curriculum and two studies were performed. In Study 1 (n = 9), new vocabulary…

Peripheral Visual Fields in ABCA4 Stargardt Disease and Correlation With Disease Extent on Ultra-widefield Fundus Autofluorescence.

PubMed

Abalem, Maria Fernanda; Otte, Benjamin; Andrews, Chris; Joltikov, Katherine A; Branham, Kari; Fahim, Abigail T; Schlegel, Dana; Qian, Cynthia X; Heckenlively, John R; Jayasundera, Thiran

2017-12-01

To evaluate the disease extent on ultra-widefield fundus autofluorescence (UWF-FAF) in patients with ABCA4 Stargardt disease (STGD) and correlate these data with functional outcome measures. Retrospective cross-sectional study. Setting: Kellogg Eye Center, University of Michigan. Sixty-five patients with clinical diagnosis and proven pathogenic variants in the ABCA4 gene. Observational Procedures: The UWF-FAF images were obtained using Optos (200 degrees) and classified into 3 types. Functional testing included kinetic widefield perimetry, full-field electroretinogram (ffERG), and visual acuity (VA). All results were evaluated with respect to UWF-FAF classification. Classification of UWF-FAF; area comprising the I4e, III4e, and IV4e isopters; ffERG patterns; and VA. For UWF-FAF, 27 subjects (41.5%) were classified as type I, 17 (26.2%) as type II, and 21 (32.4%) as type III. The area of each isopter correlated inversely with the extent of the disease and all isopters were able to detect differences among UWF-FAF types (IV4e, P = .0013; III4e, P = .0003; I4e, P < .0001 = 3.93e -8 ). ffERG patterns and VA were also different among the 3 UWF-FAF types (P < .001 = 6.61e- 6 and P < .001 = 7.3e -5 , respectively). Patients with widespread disease presented with more constriction of peripheral visual fields and had more dysfunction on ffERG and worse VA compared to patients with disease confined to the macula. UWF-FAF images may provide information for estimating peripheral and central visual function in STGD. Copyright © 2017. Published by Elsevier Inc.

Indoor transformer stations as predictors of residential ELF magnetic field exposure.

PubMed

Ilonen, K; Markkanen, A; Mezei, G; Juutilainen, Jukka

2008-04-01

Transformer stations in apartment buildings may offer a possibility to conduct epidemiological studies that involve high exposure to extremely low frequency magnetic fields (MF), avoid selection bias and minimize confounding factors. To validate exposure assessment based on transformer stations, measurements were performed in thirty buildings in three Finnish cities. In each building, spot measurements in all rooms and a 24-h recording in a bedroom were performed in one apartment above a transformer station (AAT), in one first floor (FF) reference apartment, and one reference apartment on upper floors (UF). The apartment mean of spot measurements was 0.62 microT in the AATs, 0.21 microT in the FF and 0.11 microT in the UF reference apartments The 24-h apartment mean (estimated from the spot measurements and the bedroom 24-h recording) was 0.2 microT or higher in 29 (97%) AATs, in 7 (25%) FF and in 3 (10 %) UF reference apartments. The corresponding numbers for the 0.4 microT cut-off point were 19 (63%), 4 (14%), and 1 (3.3%). The higher MF level in the FF reference apartments indicates that they should not be considered "unexposed" in epidemiological studies. If such apartments are excluded, a transformer station under the floor predicts 24-h apartment mean MF with a sensitivity of 0.41 (or 0.58) and a specificity of 0.997 (or 0.97), depending on the MF cut-off point (0.2 or 0.4 microT). The results indicate that apartments can be reliably classified as high and low MF field categories based on the known location of transformer stations. (c) 2007 Wiley-Liss, Inc.

Ensemble-based flash-flood modelling: Taking into account hydrodynamic parameters and initial soil moisture uncertainties

NASA Astrophysics Data System (ADS)

Edouard, Simon; Vincendon, Béatrice; Ducrocq, Véronique

2018-05-01

Intense precipitation events in the Mediterranean often lead to devastating flash floods (FF). FF modelling is affected by several kinds of uncertainties and Hydrological Ensemble Prediction Systems (HEPS) are designed to take those uncertainties into account. The major source of uncertainty comes from rainfall forcing and convective-scale meteorological ensemble prediction systems can manage it for forecasting purpose. But other sources are related to the hydrological modelling part of the HEPS. This study focuses on the uncertainties arising from the hydrological model parameters and initial soil moisture with aim to design an ensemble-based version of an hydrological model dedicated to Mediterranean fast responding rivers simulations, the ISBA-TOP coupled system. The first step consists in identifying the parameters that have the strongest influence on FF simulations by assuming perfect precipitation. A sensitivity study is carried out first using a synthetic framework and then for several real events and several catchments. Perturbation methods varying the most sensitive parameters as well as initial soil moisture allow designing an ensemble-based version of ISBA-TOP. The first results of this system on some real events are presented. The direct perspective of this work will be to drive this ensemble-based version with the members of a convective-scale meteorological ensemble prediction system to design a complete HEPS for FF forecasting.

The impact of flattening-filter-free beam technology on 3D conformal RT

PubMed Central

2013-01-01

Background The removal of the flattening filter (FF) leads to non-uniform fluence distribution with a considerable increase in dose rate. It is possible to adapt FFF beams (flattening-filter-free) in 3D conformal radiation therapy (3D CRT) by using field in field techniques (FiF). The aim of this retrospective study is to clarify whether the quality of 3D CRT plans is influenced by the use of FFF beams. Method This study includes a total of 52 CT studies of RT locations that occur frequently in clinical practice. Dose volume targets were provided for the PTV of breast (n=13), neurocranium (n=11), lung (n=7), bone metastasis (n=10) and prostate (n=11) in line with ICRU report 50/62. 3D CRT planning was carried out using FiF methods. Two clinically utilized photon energies are used for a Siemens ARTISTE linear accelerator in FFF mode at 7MVFFF and 11MVFFF as well as in FF mode at 6MVFF and 10MVFF. The plan quality in relation to the PTV coverage, OAR (organs at risk) and low dose burden as well as the 2D dosimetric verification is compared with FF plans. Results No significant differences were found between FFF and FF plans in the mean dose for the PTV of breast, lung, spine metastasis and prostate. The low dose parameters V5Gy and V10Gy display significant differences for FFF and FF plans in some subgroups. The DVH analysis of the OAR revealed some significant differences. Significantly more fields (1.9 – 4.5) were necessary in the use of FFF beams for each location (p<0.0001) in order to achieve PTV coverage. All the tested groups displayed significant increases (1.3 – 2.2 times) in the average number of necessary MU with the use of FFF beams (p<0.001). Conclusions This study has shown that the exclusive use of a linear accelerator in FFF mode is feasible in 3D CRT. It was possible to realize RT plans in comparable quality in typical cases of clinical radiotherapy. The 2D dosimetric validation of the modulated fields verified the dose calculation and thus the correct reproduction of the characteristic FFF parameters in the planning system that was used. PMID:23725479

Real time relationship between individual finger force and grip exertion on distal phalanges in linear force following tasks.

PubMed

Luo, Shi-Jian; Shu, Ge; Gong, Yan

2018-05-01

Individual finger force (FF) in a grip task is a vital concern in rehabilitation engineering and precise control of manipulators because disorders in any of the fingers will affect the stability or accuracy of the grip force (GF). To understand the functions of each finger in a dynamic grip exertion task, a GF following experiment with four individual fingers without thumb was designed. This study obtained four individual FFs from the distal phalanges with a cylindrical handle in dynamic GF following tasks. Ten healthy male subjects with similar hand sizes participated in the four-finger linear GF following tasks at different submaximal voluntary contraction (SMVC) levels. The total GF, individual FF, finger force contribution, and following error were subsequently calculated and analyzed. The statistics indicated the following: 1) the accuracy and stability of GF at low %MVC were significantly higher than those at high SMVC; 2) at low SMVC, the ability of the fingers to increase the GF was better than the ability to reduce it, but it was contrary at high SMVC; 3) when the target wave (TW) was changing, all four fingers strongly participated in the force exertion, but the participation of the little finger decreased significantly when TW remained stable; 4) the index finger and ring finger had a complementary relationship and played a vital role in the adjustment and control of GF. The middle finger and little finger had a minor influence on the force control and adjustment. In conclusion, each of the fingers had different functions in a GF following task. These findings can be used in the assessment of finger injury rehabilitation and for algorithms of precise control. Copyright © 2017 Elsevier Ltd. All rights reserved.

Atmospheric Observations of Carbon Dioxide and Quantification of Fossil Fuel Carbon Dioxide and Emission Inventories using Radiocarbon in the Korean Peninsula during the KORUS-AQ Field Campaign

NASA Astrophysics Data System (ADS)

Choi, Y.; DiGangi, J. P.; Diskin, G. S.; Nowak, J. B.; Halliday, H.; Pusede, S.; Arellano, A. F., Jr.; Tang, W.; Knote, C. J.; Woo, J. H.; Lee, Y.; Kim, Y.; Bu, C.; Blake, D. R.; Simpson, I. J.; Blake, N. J.; Xu, X.

2017-12-01

This presentation discusses a unique data set of airborne in situ carbon dioxide (CO2) and carbon monoxide (CO) soundings and radiocarbon measurements to accurately quantify anthropogenic CO2 emissions from the total measured CO2 signal. Precise assessment of fossil fuel (FF) CO2 gives a better understanding of source contributions to emission inventories in the study region. Fast response (1Hz) and high precision (<0.1 ppm) in situ measurements of atmospheric CO2 and other trace gases, including 60 CO2 radiocarbon measurements from flask samples, onboard the NASA DC-8 aircraft during KORUS-AQ (May-June, 2016), were used in combination with an updated emissions inventory named NIER/KU_CREATE (Comprehensive Regional Emissions inventory for Atmospheric Transport Experiment) to gain a better understanding of pollution characteristics in the study region. Fractional FF CO2 contributions were calculated using radiocarbon and in-situ CO2 concentrations. These quantified FF CO/CO2 ratios from the in situ measurements were compared to the updated emissions inventory. Distinctly higher ratios were found in Chinese outflow, relative to those from the Korean Peninsula, and the emission inventory shows higher CO/CO2 ratios than measurements both in the Korea and China regions. This quantified FF CO/CO2 ratio was applied to continuous measurements of in-situ CO and CO2 and used to identify the portion of biogenic CO2 observed during the field campaign (the biospheric contribution to the total CO2 is typically 20-30 % in this regions). This continuous partitioning of biogenic and anthropogenic sources will give a better understanding of diurnal variations of local sources and will be helpful for the evaluation of emission inventories, where mega-city fossil fuel combustion sources mix with biospheric sources. Also discussed is the comparison of quantified FF CO/CO2 ratios with the CAMS (Copernicus Atmosphere Monitoring Service) simulated products ratios and local source contribution analysis using FLEXPART-WRF back-trajectory analysis to understand the source of variability of FF CO/CO2 ratios in the study regions.

Simulations of simple linoleic acid-containing lipid membranes and models for the soybean plasma membranes.

PubMed

Zhuang, Xiaohong; Ou, Anna; Klauda, Jeffery B

2017-06-07

The all-atom CHARMM36 lipid force field (C36FF) has been tested with saturated, monounsaturated, and polyunsaturated lipids; however, it has not been validated against the 18:2 linoleoyl lipids with an unsaturated sn-1 chain. The linoleoyl lipids are common in plants and the main component of the soybean membrane. The lipid composition of soybean plasma membranes has been thoroughly characterized with experimental studies. However, there is comparatively less work done with computational modeling. Our molecular dynamics (MD) simulation results show that the pure linoleoyl lipids, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine (18:0/18:2) and 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (di-18:2), agree very well with the experiments, which demonstrates the accuracy of the C36FF for the computational study of soybean membranes. Based on the experimental composition, the soybean hypocotyl and root plasma membrane models are developed with each containing seven or eight types of linoleoyl phospholipids and two types of sterols (sitosterol and stigmasterol). MD simulations are performed to characterize soybean membranes, and the hydrogen bonds and clustering results demonstrate that the lipids prefer to interact with the lipids of the same/similar tail unsaturation. All the results suggest that these two soybean membrane models can be used as a basis for further research in soybean and higher plant membranes involving membrane-associated proteins.

Effects of the surroundings and conformerisation of n-dodecane molecules on evaporation/condensation processes

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

Gun’ko, Vladimir M.; Sir Harry Ricardo Laboratories, School of Computing, Engineering and Mathematics, University of Brighton, Cockcroft Building, Lewes Road, Brighton BN2 4GJ; Nasiri, Rasoul

2015-01-21

The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy ofmore » solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.« less

Simulations of simple linoleic acid-containing lipid membranes and models for the soybean plasma membranes

NASA Astrophysics Data System (ADS)

Zhuang, Xiaohong; Ou, Anna; Klauda, Jeffery B.

2017-06-01

The all-atom CHARMM36 lipid force field (C36FF) has been tested with saturated, monounsaturated, and polyunsaturated lipids; however, it has not been validated against the 18:2 linoleoyl lipids with an unsaturated sn-1 chain. The linoleoyl lipids are common in plants and the main component of the soybean membrane. The lipid composition of soybean plasma membranes has been thoroughly characterized with experimental studies. However, there is comparatively less work done with computational modeling. Our molecular dynamics (MD) simulation results show that the pure linoleoyl lipids, 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine (18:0/18:2) and 1,2-dilinoleoyl-sn-glycero-3-phosphocholine (di-18:2), agree very well with the experiments, which demonstrates the accuracy of the C36FF for the computational study of soybean membranes. Based on the experimental composition, the soybean hypocotyl and root plasma membrane models are developed with each containing seven or eight types of linoleoyl phospholipids and two types of sterols (sitosterol and stigmasterol). MD simulations are performed to characterize soybean membranes, and the hydrogen bonds and clustering results demonstrate that the lipids prefer to interact with the lipids of the same/similar tail unsaturation. All the results suggest that these two soybean membrane models can be used as a basis for further research in soybean and higher plant membranes involving membrane-associated proteins.

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

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

Sakuma, Takashi, E-mail: sakuma@mx.ibaraki.ac.jp; Makhsun,; Sakai, Ryutaro

2015-04-16

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

Refined Dummy Atom Model of Mg(2+) by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy.

PubMed

Jiang, Yang; Zhang, Haiyang; Feng, Wei; Tan, Tianwei

2015-12-28

Metal ions play an important role in the catalysis of metalloenzymes. To investigate metalloenzymes via molecular modeling, a set of accurate force field parameters for metal ions is highly imperative. To extend its application range and improve the performance, the dummy atom model of metal ions was refined through a simple parameter screening strategy using the Mg(2+) ion as an example. Using the AMBER ff03 force field with the TIP3P model, the refined model accurately reproduced the experimental geometric and thermodynamic properties of Mg(2+). Compared with point charge models and previous dummy atom models, the refined dummy atom model yields an enhanced performance for producing reliable ATP/GTP-Mg(2+)-protein conformations in three metalloenzyme systems with single or double metal centers. Similar to other unbounded models, the refined model failed to reproduce the Mg-Mg distance and favored a monodentate binding of carboxylate groups, and these drawbacks needed to be considered with care. The outperformance of the refined model is mainly attributed to the use of a revised (more accurate) experimental solvation free energy and a suitable free energy correction protocol. This work provides a parameter screening strategy that can be readily applied to refine the dummy atom models for metal ions.

Junction Quality of SnO2-Based Perovskite Solar Cells Investigated by Nanometer-Scale Electrical Potential Profiling.

PubMed

Xiao, Chuanxiao; Wang, Changlei; Ke, Weijun; Gorman, Brian P; Ye, Jichun; Jiang, Chun-Sheng; Yan, Yanfa; Al-Jassim, Mowafak M

2017-11-08

Electron-selective layers (ESLs) and hole-selective layers (HSLs) are critical in high-efficiency organic-inorganic lead halide perovskite (PS) solar cells for charge-carrier transport, separation, and collection. We developed a procedure to assess the quality of the ESL/PS junction by measuring potential distribution on the cross section of SnO 2 -based PS solar cells using Kelvin probe force microscopy. Using the potential profiling, we compared three types of cells made of different ESLs but otherwise having an identical device structure: (1) cells with PS deposited directly on bare fluorine-doped SnO 2 (FTO)-coated glass; (2) cells with an intrinsic SnO 2 thin layer on the top of FTO as an effective ESL; and (3) cells with the SnO 2 ESL and adding a self-assembled monolayer (SAM) of fullerene. The results reveal two major potential drops or electric fields at the ESL/PS and PS/HSL interfaces. The electric-field ratio between the ESL/PS and PS/HSL interfaces increased in devices as follows: FTO < SnO 2 -ESL < SnO 2 + SAM; this sequence explains the improvements of the fill factor (FF) and open-circuit voltage (V oc ). The improvement of the FF from the FTO to SnO 2 -ESL cells may result from the reduction in voltage loss at the PS/HSL back interface and the improvement of V oc from the prevention of hole recombination at the ESL/PS front interface. The further improvements with adding an SAM is caused by the defect passivation at the ESL/PS interface, and hence, improvement of the junction quality. These nanoelectrical findings suggest possibilities for improving the device performance by further optimizing the SnO 2 -based ESL material quality and the ESL/PS interface.

Junction Quality of SnO 2-Based Perovskite Solar Cells Investigated by Nanometer-Scale Electrical Potential Profiling

DOE PAGES

Xiao, Chuanxiao; Wang, Changlei; Ke, Weijun; ...

2017-10-13

Electron-selective layers (ESLs) and hole-selective layers (HSLs) are critical in high-efficiency organic-inorganic lead halide perovskite (PS) solar cells for charge-carrier transport, separation, and collection. We developed a procedure to assess the quality of the ESL/PS junction by measuring potential distribution on cross-section of SnO 2-based perovskite solar cells using Kelvin probe force microscopy. Using the potential profiling, we compared three types of cells made of different ESLs but otherwise having identical device structure: cells with PS deposited directly on bare fluorine-doped SnO 2 (FTO)-coated glass; cells with an intrinsic SnO 2 thin layer on the top of FTO as anmore » effective ESL; and cells with the SnO2 ESL and adding a self-assembled monolayer (SAM) of fullerene. The results reveal two major potential drops or electric fields at the ESL/PS and PS/HSL interfaces. The electric-field ratio between the ESL/PS and PS/HSL interfaces increased in devices as follows: FTO < SnO 2-ESL < SnO 2+SAM; this sequence explains the improvements of fill factor (FF) and open-circuit voltage ( V oc). The improvement of FF from the FTO to SnO 2-ESL cells may result from the reduction in voltage lose at the PS/HSL back interface and the improvement of V oc from the prevention of hole recombination at the ESL/PS front interface. The further improvements with adding a SAM is caused by the defect passivation at the ESL/PS interface, and hence, improvement of the junction quality. Furthermore, these nanoelectrical findings suggest possibilities for improving the device performance by further optimizing the SnO2-based ESL material quality and the ESL/PS interface.« less

Systematic Improvement of Potential-Derived Atomic Multipoles and Redundancy of the Electrostatic Parameter Space.

PubMed

Jakobsen, Sofie; Jensen, Frank

2014-12-09

We assess the accuracy of force field (FF) electrostatics at several levels of approximation from the standard model using fixed partial charges to conformational specific multipole fits including up to quadrupole moments. Potential-derived point charges and multipoles are calculated using least-squares methods for a total of ∼1000 different conformations of the 20 natural amino acids. Opposed to standard charge fitting schemes the procedure presented in the current work employs fitting points placed on a single isodensity surface, since the electrostatic potential (ESP) on such a surface determines the ESP at all points outside this surface. We find that the effect of multipoles beyond partial atomic charges is of the same magnitude as the effect due to neglecting conformational dependency (i.e., polarizability), suggesting that the two effects should be included at the same level in FF development. The redundancy at both the partial charge and multipole levels of approximation is quantified. We present an algorithm which stepwise reduces or increases the dimensionality of the charge or multipole parameter space and provides an upper limit of the ESP error that can be obtained at a given truncation level. Thereby, we can identify a reduced set of multipole moments corresponding to ∼40% of the total number of multipoles. This subset of parameters provides a significant improvement in the representation of the ESP compared to the simple point charge model and close to the accuracy obtained using the complete multipole parameter space. The selection of the ∼40% most important multipole sites is highly transferable among different conformations, and we find that quadrupoles are of high importance for atoms involved in π-bonding, since the anisotropic electric field generated in such regions requires a large degree of flexibility.

Junction Quality of SnO 2-Based Perovskite Solar Cells Investigated by Nanometer-Scale Electrical Potential Profiling

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

Xiao, Chuanxiao; Wang, Changlei; Ke, Weijun

Electron-selective layers (ESLs) and hole-selective layers (HSLs) are critical in high-efficiency organic-inorganic lead halide perovskite (PS) solar cells for charge-carrier transport, separation, and collection. We developed a procedure to assess the quality of the ESL/PS junction by measuring potential distribution on cross-section of SnO 2-based perovskite solar cells using Kelvin probe force microscopy. Using the potential profiling, we compared three types of cells made of different ESLs but otherwise having identical device structure: cells with PS deposited directly on bare fluorine-doped SnO 2 (FTO)-coated glass; cells with an intrinsic SnO 2 thin layer on the top of FTO as anmore » effective ESL; and cells with the SnO2 ESL and adding a self-assembled monolayer (SAM) of fullerene. The results reveal two major potential drops or electric fields at the ESL/PS and PS/HSL interfaces. The electric-field ratio between the ESL/PS and PS/HSL interfaces increased in devices as follows: FTO < SnO 2-ESL < SnO 2+SAM; this sequence explains the improvements of fill factor (FF) and open-circuit voltage ( V oc). The improvement of FF from the FTO to SnO 2-ESL cells may result from the reduction in voltage lose at the PS/HSL back interface and the improvement of V oc from the prevention of hole recombination at the ESL/PS front interface. The further improvements with adding a SAM is caused by the defect passivation at the ESL/PS interface, and hence, improvement of the junction quality. Furthermore, these nanoelectrical findings suggest possibilities for improving the device performance by further optimizing the SnO2-based ESL material quality and the ESL/PS interface.« less

Study of ice cluster impacts on amorphous silica using the ReaxFF reactive force field molecular dynamics simulation method

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

Rahnamoun, A.; Duin, A. C. T. van

We study the dynamics of the collisions between amorphous silica structures and amorphous and crystal ice clusters with impact velocities of 1 km/s, 4 km/s, and 7 km/s using the ReaxFF reactive molecular dynamics simulation method. The initial ice clusters consist of 150 water molecules for the amorphous ice cluster and 128 water molecules for the crystal ice cluster. The ice clusters are collided on the surface of amorphous fully oxidized and suboxide silica. These simulations show that at 1 km/s impact velocities, all the ice clusters accumulate on the surface and at 4 km/s and 7 km/s impact velocities, some of the ice cluster moleculesmore » bounce back from the surface. At 4 km/s and 7 km/s impact velocities, few of the water molecules dissociations are observed. The effect of the second ice cluster impacts on the surfaces which are fully covered with ice, on the mass loss/accumulation is studied. These studies show that at 1 km/s impacts, the entire ice cluster accumulates on the surface at both first and second ice impacts. At higher impact velocities, some ice molecules which after the first ice impacts have been attached to the surface will separate from the surface after the second ice impacts at 7 km/s impact velocity. For the 4 km/s ice cluster impact, ice accumulation is observed for the crystal ice cluster impacts and ice separation is observed for the amorphous ice impacts. Observing the temperatures of the ice clusters during the collisions indicates that the possibility of electron excitement at impact velocities less than 10 km/s is minimal and ReaxFF reactive molecular dynamics simulation can predict the chemistry of these hypervelocity impacts. However, at impact velocities close to 10 km/s the average temperature of the impacting ice clusters increase to about 2000 K, with individual molecules occasionally reaching temperatures of over 8000 K and thus it will be prudent to consider the concept of electron excitation at these higher impact velocities, which goes beyond the current ReaxFF ability.« less

Polymeric variable optical attenuators based on magnetic sensitive stimuli materials

NASA Astrophysics Data System (ADS)

de Pedro, S.; Cadarso, V. J.; Ackermann, T. N.; Muñoz-Berbel, X.; Plaza, J. A.; Brugger, J.; Büttgenbach, S.; Llobera, A.

2014-12-01

Magnetically-actuable, polymer-based variable optical attenuators (VOA) are presented in this paper. The design comprises a cantilever which also plays the role of a waveguide and the input/output alignment elements for simple alignment, yet still rendering an efficient coupling. Magnetic properties have been conferred to these micro-opto-electromechanical systems (MOEMS) by implementing two different strategies: in the first case, a magnetic sensitive stimuli material (M-SSM) is obtained by a combination of polydimethylsiloxane (PDMS) and ferrofluid (FF) in ratios between 14.9 wt % and 29.9 wt %. An M-SSM strip under the waveguide-cantilever, defined with soft lithography (SLT), provides the required actuation capability. In the second case, specific volumes of FF are dispensed at the end of the cantilever tip (outside the waveguide) by means of inkjet printing (IJP), obtaining the required magnetic response while holding the optical transparency of the waveguide-cantilever. In the absence of a magnetic field, the waveguide-cantilever is aligned with the output fiber optics and thus the intrinsic optical losses can be obtained. Numerical simulations, validated experimentally, have shown that, for any cantilever length, the VOAs defined by IJP present lower intrinsic optical losses than their SLT counterparts. Under an applied magnetic field (Bapp), both VOA configurations experience a misalignment between the waveguide-cantilever and the output fiber optics. Thus, the proposed VOAs modulate the output power as a function of the cantilever displacement, which is proportional to Bapp. The experimental results for the three different waveguide-cantilever lengths and six different FF concentrations (three per technology) show maximum deflections of 220 µm at 29.9 wt % of FF for VOASLT and 250 µm at 22.3 wt % FF for VOAIJP, at 0.57 kG for both. These deflections provide maximum actuation losses of 16.1 dB and 18.9 dB for the VOASLT and VOAIJP, respectively.

Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA

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

Orimoto, Yuuichi, E-mail: orimoto.yuuichi.888@m.kyushu-u.ac.jp; Aoki, Yuriko; Japan Science and Technology Agency, CREST, 4-1-8 Hon-chou, Kawaguchi, Saitama 332-0012

An automated property optimization method was developed based on the ab initio O(N) elongation (ELG) method and applied to the optimization of nonlinear optical (NLO) properties in DNA as a first test. The ELG method mimics a polymerization reaction on a computer, and the reaction terminal of a starting cluster is attacked by monomers sequentially to elongate the electronic structure of the system by solving in each step a limited space including the terminal (localized molecular orbitals at the terminal) and monomer. The ELG-finite field (ELG-FF) method for calculating (hyper-)polarizabilities was used as the engine program of the optimization method,more » and it was found to show linear scaling efficiency while maintaining high computational accuracy for a random sequenced DNA model. Furthermore, the self-consistent field convergence was significantly improved by using the ELG-FF method compared with a conventional method, and it can lead to more feasible NLO property values in the FF treatment. The automated optimization method successfully chose an appropriate base pair from four base pairs (A, T, G, and C) for each elongation step according to an evaluation function. From test optimizations for the first order hyper-polarizability (β) in DNA, a substantial difference was observed depending on optimization conditions between “choose-maximum” (choose a base pair giving the maximum β for each step) and “choose-minimum” (choose a base pair giving the minimum β). In contrast, there was an ambiguous difference between these conditions for optimizing the second order hyper-polarizability (γ) because of the small absolute value of γ and the limitation of numerical differential calculations in the FF method. It can be concluded that the ab initio level property optimization method introduced here can be an effective step towards an advanced computer aided material design method as long as the numerical limitation of the FF method is taken into account.« less

Automated property optimization via ab initio O(N) elongation method: Application to (hyper-)polarizability in DNA.

PubMed

Orimoto, Yuuichi; Aoki, Yuriko

2016-07-14

An automated property optimization method was developed based on the ab initio O(N) elongation (ELG) method and applied to the optimization of nonlinear optical (NLO) properties in DNA as a first test. The ELG method mimics a polymerization reaction on a computer, and the reaction terminal of a starting cluster is attacked by monomers sequentially to elongate the electronic structure of the system by solving in each step a limited space including the terminal (localized molecular orbitals at the terminal) and monomer. The ELG-finite field (ELG-FF) method for calculating (hyper-)polarizabilities was used as the engine program of the optimization method, and it was found to show linear scaling efficiency while maintaining high computational accuracy for a random sequenced DNA model. Furthermore, the self-consistent field convergence was significantly improved by using the ELG-FF method compared with a conventional method, and it can lead to more feasible NLO property values in the FF treatment. The automated optimization method successfully chose an appropriate base pair from four base pairs (A, T, G, and C) for each elongation step according to an evaluation function. From test optimizations for the first order hyper-polarizability (β) in DNA, a substantial difference was observed depending on optimization conditions between "choose-maximum" (choose a base pair giving the maximum β for each step) and "choose-minimum" (choose a base pair giving the minimum β). In contrast, there was an ambiguous difference between these conditions for optimizing the second order hyper-polarizability (γ) because of the small absolute value of γ and the limitation of numerical differential calculations in the FF method. It can be concluded that the ab initio level property optimization method introduced here can be an effective step towards an advanced computer aided material design method as long as the numerical limitation of the FF method is taken into account.

Developing the Pulsed Fission-Fusion (PuFF) Engine

NASA Technical Reports Server (NTRS)

Adams, Robert B.; Cassibry, Jason; Bradley, David; Fabisinski, Leo; Statham, Geoffrey

2014-01-01

In September 2013 the NASA Innovative Advanced Concept (NIAC) organization awarded a phase I contract to the PuFF team. Our phase 1 proposal researched a pulsed fission-fusion propulsion system that compressed a target of deuterium (D) and tritium (T) as a mixture in a column, surrounded concentrically by Uranium. The target is surrounded by liquid lithium. A high power current would flow down the liquid lithium and the resulting Lorentz force would compress the column by roughly a factor of 10. The compressed column would reach criticality and a combination of fission and fusion reactions would occur. Our Phase I results, summarized herein, review our estimates of engine and vehicle performance, our work to date to model the fission-fusion reaction, and our initial efforts in experimental analysis.

When Feedback Fails: The Scaling and Saturation of Star Formation Efficiency

NASA Astrophysics Data System (ADS)

Y Grudic, Michael; Hopkins, Philip F.; Faucher-Giguere, Claude-Andre; Quataert, Eliot; Murray, Norman W.; Keres, Dusan

2017-06-01

We present a suite of 3D multi-physics MHD simulations following star formation in isolated turbulent molecular gas disks ranging from 5 to 500 parsecs in radius. These simulations are designed to survey the range of surface densities between those typical of Milky Way GMCs (˜100 M⊙pc-2) and extreme ULIRG environments (˜104M⊙pc-2) so as to map out the scaling of star formation efficiency (SFE) between these two regimes. The simulations include prescriptions for supernova, stellar wind, and radiative feedback, which we find to be essential in determining both the instantaneous (ɛff) and integrated (ɛint) star formation efficiencies. In all simulations, the gas disks form stars until a critical stellar mass has been reached and the remaining gas is blown out by stellar feedback. We find that surface density is the best predictor of ɛint of all of the gas cloud's global properties, as suggested by analytic force balance arguments from previous works. Furthermore, SFE eventually saturates to ˜1 at high surface density, with very good agreement across different spatial scales. We also find a roughly proportional relationship between ɛff and ɛint. These results have implications for star formation in galactic disks, the nature and fate of nuclear starbursts, and the formation of bound star clusters. The scaling of ɛff also contradicts star formation models in which ɛff˜1% universally, including popular subgrid models for galaxy simulations.

Early Stage of Oxidation on Titanium Surface by Reactive Molecular Dynamics Simulation

DOE PAGES

Yang, Liang; Wang, C. Z.; Lin, Shiwei; ...

2018-01-01

Understanding of metal oxidation is very critical to corrosion control, catalysis synthesis, and advanced materials engineering. Metal oxidation is a very complex phenomenon, with many different processes which are coupled and involved from the onset of reaction. In this work, the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics (MD) simulations using a reactive force field (ReaxFF). We show that oxygen transport is the dominant process during the initial oxidation. Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titaniummore » (0001) surface and further prevented oxidation in the deeper layers. As a result, the mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.« less

Molecular Dynamics Studies of Thermal Induced Chemistry in TATB

NASA Astrophysics Data System (ADS)

Quenneville, Jason; Germann, Timothy

2007-06-01

A reactive force field (ReaxFF^2) is used with molecular dynamics to probe the chemistry induced by intense heating (accelerated `cook-off') of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). Large-system simulations are desired for TATB because of the high degree of carbon clustering expected in this material. Using small, 800-atom, simulations, we will show the reaction rate as a function of temperature and density as well as the time evolution of reaction products. A larger simulation (with 14,000 atoms) will illustrate the effect of system size on both carbon clustering and reaction rate. Insight into the mechanisms of product formation will be given, as well as the chemical structure (graphitic or diamond-like) of the carbon clusters obtained. ^2 A. C. T. Van Duin, et al, J. Phys. Chem. A, 1005, 9396 (2001).

Estimating the uncertainty of calculated out-of-field organ dose from a commercial treatment planning system.

PubMed

Wang, Lilie; Ding, George X

2018-06-12

Therapeutic radiation to cancer patients is accompanied by unintended radiation to organs outside the treatment field. It is known that the model-based dose algorithm has limitation in calculating the out-of-field doses. This study evaluated the out-of-field dose calculated by the Varian Eclipse treatment planning system (v.11 with AAA algorithm) in realistic treatment plans with the goal of estimating the uncertainties of calculated organ doses. Photon beam phase-space files for TrueBeam linear accelerator were provided by Varian. These were used as incident sources in EGSnrc Monte Carlo simulations of radiation transport through the downstream jaws and MLC. Dynamic movements of the MLC leaves were fully modeled based on treatment plans using IMRT or VMAT techniques. The Monte Carlo calculated out-of-field doses were then compared with those calculated by Eclipse. The dose comparisons were performed for different beam energies and treatment sites, including head-and-neck, lung, and pelvis. For 6 MV (FF/FFF), 10 MV (FF/FFF), and 15 MV (FF) beams, Eclipse underestimated out-of-field local doses by 30%-50% compared with Monte Carlo calculations when the local dose was <1% of prescribed dose. The accuracy of out-of-field dose calculations using Eclipse is improved when collimator jaws were set at the smallest possible aperture for MLC openings. The Eclipse system consistently underestimates out-of-field dose by a factor of 2 for all beam energies studied at the local dose level of less than 1% of prescribed dose. These findings are useful in providing information on the uncertainties of out-of-field organ doses calculated by Eclipse treatment planning system. © 2018 The Authors. Journal of Applied Clinical Medical Physics published by Wiley Periodicals, Inc. on behalf of American Association of Physicists in Medicine.

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

Ray, Jaideep; Lee, Jina; Lefantzi, Sophia

The estimation of fossil-fuel CO2 emissions (ffCO2) from limited ground-based and satellite measurements of CO2 concentrations will form a key component of the monitoring of treaties aimed at the abatement of greenhouse gas emissions. To that end, we construct a multiresolution spatial parametrization for fossil-fuel CO2 emissions (ffCO2), to be used in atmospheric inversions. Such a parametrization does not currently exist. The parametrization uses wavelets to accurately capture the multiscale, nonstationary nature of ffCO2 emissions and employs proxies of human habitation, e.g., images of lights at night and maps of built-up areas to reduce the dimensionality of the multiresolution parametrization.more » The parametrization is used in a synthetic data inversion to test its suitability for use in atmospheric inverse problem. This linear inverse problem is predicated on observations of ffCO2 concentrations collected at measurement towers. We adapt a convex optimization technique, commonly used in the reconstruction of compressively sensed images, to perform sparse reconstruction of the time-variant ffCO2 emission field. We also borrow concepts from compressive sensing to impose boundary conditions i.e., to limit ffCO2 emissions within an irregularly shaped region (the United States, in our case). We find that the optimization algorithm performs a data-driven sparsification of the spatial parametrization and retains only of those wavelets whose weights could be estimated from the observations. Further, our method for the imposition of boundary conditions leads to a 10computational saving over conventional means of doing so. We conclude with a discussion of the accuracy of the estimated emissions and the suitability of the spatial parametrization for use in inverse problems with a significant degree of regularization.« less

Nucleon form factors in dispersively improved chiral effective field theory. II. Electromagnetic form factors

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

Alarcon, J. M.; Weiss, C.

We study the nucleon electromagnetic form factors (EM FFs) using a recently developed method combining Chiral Effective Field Theory (more » $$\\chi$$EFT) and dispersion analysis. The spectral functions on the two-pion cut at $$t > 4 M_\\pi^2$$ are constructed using the elastic unitarity relation and an $N/D$ representation. $$\\chi$$EFT is used to calculate the real unctions $$J_\\pm^1 (t) = f_\\pm^1(t)/F_\\pi(t)$$ (ratios of the complex $$\\pi\\pi \\rightarrow N \\bar N$$ partial-wave amplitudes and the timelike pion FF), which are free of $$\\pi\\pi$$ rescattering. Rescattering effects are included through the empirical timelike pion FF $$|F_\\pi(t)|^2$$. The method allows us to compute the isovector EM spectral functions up to $$t \\sim 1$$ GeV$^2$ with controlled accuracy (LO, NLO, and partial N2LO). With the spectral functions we calculate the isovector nucleon EM FFs and their derivatives at $t = 0$ (EM radii, moments) using subtracted dispersion relations. We predict the values of higher FF derivatives with minimal uncertainties and explain their collective behavior. Finally, we estimate the individual proton and neutron FFs by adding an empirical parametrization of the isoscalar sector. Excellent agreement with the present low-$Q^2$ FF data is achieved up to $$\\sim$$0.5 GeV$^2$ for $$G_E$$, and up to $$\\sim$$0.2 GeV$^2$ for $$G_M$$. Our results can be used to guide the analysis of low-$Q^2$ elastic scattering data and the extraction of the proton charge radius.« less

Nucleon form factors in dispersively improved chiral effective field theory. II. Electromagnetic form factors

DOE PAGES

Alarcon, J. M.; Weiss, C.

2018-05-08

We study the nucleon electromagnetic form factors (EM FFs) using a recently developed method combining Chiral Effective Field Theory (more » $$\\chi$$EFT) and dispersion analysis. The spectral functions on the two-pion cut at $$t > 4 M_\\pi^2$$ are constructed using the elastic unitarity relation and an $N/D$ representation. $$\\chi$$EFT is used to calculate the real unctions $$J_\\pm^1 (t) = f_\\pm^1(t)/F_\\pi(t)$$ (ratios of the complex $$\\pi\\pi \\rightarrow N \\bar N$$ partial-wave amplitudes and the timelike pion FF), which are free of $$\\pi\\pi$$ rescattering. Rescattering effects are included through the empirical timelike pion FF $$|F_\\pi(t)|^2$$. The method allows us to compute the isovector EM spectral functions up to $$t \\sim 1$$ GeV$^2$ with controlled accuracy (LO, NLO, and partial N2LO). With the spectral functions we calculate the isovector nucleon EM FFs and their derivatives at $t = 0$ (EM radii, moments) using subtracted dispersion relations. We predict the values of higher FF derivatives with minimal uncertainties and explain their collective behavior. Finally, we estimate the individual proton and neutron FFs by adding an empirical parametrization of the isoscalar sector. Excellent agreement with the present low-$Q^2$ FF data is achieved up to $$\\sim$$0.5 GeV$^2$ for $$G_E$$, and up to $$\\sim$$0.2 GeV$^2$ for $$G_M$$. Our results can be used to guide the analysis of low-$Q^2$ elastic scattering data and the extraction of the proton charge radius.« less

Evaluation of the Tri-Service Patient Appointment and Scheduling System at USAF Medical Center, KEESLER Air Force Base.

DTIC Science & Technology

1984-02-15

TRIMIS FF.OGRAM OFFICE C) 5401 Westbard Avenue aBethesda, Maryland 20816 AL Arthur D. Little, Inc. > .- F 84 03 09 059 •1 *9 *%* , I%.-~ ~ ~ ~ I. lk Vz - V...5401 Westbard Avenue 13. NUMBEROFPAGES Bethesda. Maryland 20816 , 14. MONITORING AGENCY NAME & ADDRESS(it different from Controlling Office) IS

Isoflurane Impairs Low-Frequency Feedback but Leaves High-Frequency Feedforward Connectivity Intact in the Fly Brain.

PubMed

Cohen, Dror; van Swinderen, Bruno; Tsuchiya, Naotsugu

2018-01-01

Hierarchically organized brains communicate through feedforward (FF) and feedback (FB) pathways. In mammals, FF and FB are mediated by higher and lower frequencies during wakefulness. FB is preferentially impaired by general anesthetics in multiple mammalian species. This suggests FB serves critical functions in waking brains. The brain of Drosophila melanogaster (fruit fly) is also hierarchically organized, but the presence of FB in these brains is not established. Here, we studied FB in the fly brain, by simultaneously recording local field potentials (LFPs) from low-order peripheral structures and higher-order central structures. We analyzed the data using Granger causality (GC), the first application of this analysis technique to recordings from the insect brain. Our analysis revealed that low frequencies (0.1-5 Hz) mediated FB from the center to the periphery, while higher frequencies (10-45 Hz) mediated FF in the opposite direction. Further, isoflurane anesthesia preferentially reduced FB. Our results imply that the spectral characteristics of FF and FB may be a signature of hierarchically organized brains that is conserved from insects to mammals. We speculate that general anesthetics may induce unresponsiveness across species by targeting the mechanisms that support FB.

Isoflurane Impairs Low-Frequency Feedback but Leaves High-Frequency Feedforward Connectivity Intact in the Fly Brain

PubMed Central

2018-01-01

Abstract Hierarchically organized brains communicate through feedforward (FF) and feedback (FB) pathways. In mammals, FF and FB are mediated by higher and lower frequencies during wakefulness. FB is preferentially impaired by general anesthetics in multiple mammalian species. This suggests FB serves critical functions in waking brains. The brain of Drosophila melanogaster (fruit fly) is also hierarchically organized, but the presence of FB in these brains is not established. Here, we studied FB in the fly brain, by simultaneously recording local field potentials (LFPs) from low-order peripheral structures and higher-order central structures. We analyzed the data using Granger causality (GC), the first application of this analysis technique to recordings from the insect brain. Our analysis revealed that low frequencies (0.1–5 Hz) mediated FB from the center to the periphery, while higher frequencies (10–45 Hz) mediated FF in the opposite direction. Further, isoflurane anesthesia preferentially reduced FB. Our results imply that the spectral characteristics of FF and FB may be a signature of hierarchically organized brains that is conserved from insects to mammals. We speculate that general anesthetics may induce unresponsiveness across species by targeting the mechanisms that support FB. PMID:29541686

Noninvasive three-dimensional live imaging methodology for the spindles at meiosis and mitosis

NASA Astrophysics Data System (ADS)

Zheng, Jing-gao; Huo, Tiancheng; Tian, Ning; Chen, Tianyuan; Wang, Chengming; Zhang, Ning; Zhao, Fengying; Lu, Danyu; Chen, Dieyan; Ma, Wanyun; Sun, Jia-lin; Xue, Ping

2013-05-01

The spindle plays a crucial role in normal chromosome alignment and segregation during meiosis and mitosis. Studying spindles in living cells noninvasively is of great value in assisted reproduction technology (ART). Here, we present a novel spindle imaging methodology, full-field optical coherence tomography (FF-OCT). Without any dye labeling and fixation, we demonstrate the first successful application of FF-OCT to noninvasive three-dimensional (3-D) live imaging of the meiotic spindles within the mouse living oocytes at metaphase II as well as the mitotic spindles in the living zygotes at metaphase and telophase. By post-processing of the 3-D dataset obtained with FF-OCT, the important morphological and spatial parameters of the spindles, such as short and long axes, spatial localization, and the angle of meiotic spindle deviation from the first polar body in the oocyte were precisely measured with the spatial resolution of 0.7 μm. Our results reveal the potential of FF-OCT as an imaging tool capable of noninvasive 3-D live morphological analysis for spindles, which might be useful to ART related procedures and many other spindle related studies.

Efficacy of Flaxseed Flour as Bind Enhancing Agent on the Quality of Extended Restructured Mutton Chops

PubMed Central

Sharma, Heena; Sharma, Brahma Deo; Mendiratta, S. K.; Talukder, Suman; Ramasamy, Giriprasad

2014-01-01

Consumers have become very conscious about their nutrition and well being due to changes in their socio-economic lifestyle and rapid urbanization. Therefore, development of technology for production of low cost and functional meat products is urgently required. One such approach is innovative restructuring technology in which binding of meat pieces still remains the main challenge and extension of product is generally associated with poor binding and texture. Thus, the present study was envisaged as an attempt to solve this problem by the incorporation of flaxseed flour (FF) as bind enhancing agent. The FF was used at three different levels viz., 0.5%, 1%, and 1.5% to replace lean meat in pre-standardized restructured mutton chops formulation. The products were subjected to analysis for physico-chemical, sensory and textural properties. Cooking yield, moisture percentage and fat percentage increased with increase in the level of incorporation of FF, however, protein percent and pH decreased with increase in the level of incorporation. Shear force value of product incorporated with 1.5% FF was significantly higher (p<0.01) than control and product containing 0.5% FF level. Among the sensory attributes, product with 1% flaxseed flour showed significantly higher values (p<0.05) for general appearance, binding, texture and overall acceptability. Hardness showed significant increasing (p<0.01) values with increasing levels of incorporation of flaxseed flour, however all other parameters of texture profile analysis showed a decreasing trend. On the basis of sensory scores and physico-chemical properties, the optimum incorporation level of FF was adjudged as 1%. Products incorporated with optimum level of flaxseed flour (1%) were also assessed for water activity and microbiological quality during the storage period of 15 days. It was found that the extended restructured product could be safely stored under refrigeration (4°C±1°C) in low density polyethylene (LDPE) pouches for 15 days without marked deterioration in sensory and microbiological quality. Thus, it was concluded that flaxseed flour can be used as a good bind enhancing agent in extended restructured meat products at an economic cost. PMID:25049949

Influence of grand-mother diet on offspring performances through the male line in Muscovy duck.

PubMed

Brun, Jean-Michel; Bernadet, Marie-Dominique; Cornuez, Alexis; Leroux, Sophie; Bodin, Loys; Basso, Benjamin; Davail, Stéphane; Jaglin, Mathilde; Lessire, Michel; Martin, Xavier; Sellier, Nadine; Morisson, Mireille; Pitel, Frédérique

2015-12-21

In mammals, multigenerational environmental effects have been documented by either epidemiological studies in human or animal experiments in rodents. Whether such phenomena also occur in birds for more than one generation is still an open question. The objective of this study was to investigate if a methionine deficiency experienced by a mother (G0) could affect her grand-offspring phenotypes (G2 hybrid mule ducks and G2 purebred Muscovy ducks), through their Muscovy sons (G1). Muscovy drakes are used for the production of mule ducks, which are sterile offspring of female common duck (Anas platyrhynchos) and Muscovy drakes (Cairina moschata). In France, mule ducks are bred mainly for the production of "foie gras", which stems from hepatic steatosis under two weeks of force-feeding (FF). Two groups of female Muscovy ducks received either a methionine deficient diet or a control diet. Their sons were mated to Muscovy or to common duck females to produce Muscovy or Mule ducks, respectively. Several traits were measured in the G2 progenies, concerning growth, feed efficiency during FF, body composition after FF, and quality of foie gras and magret. In the G2 mule duck progeny, grand-maternal methionine deficiency (GMMD) decreased 4, 8, and 12 week body weights but increased weight gain and feed efficiency during FF, and abdominal fat weight. The plasmatic glucose and triglyceride contents at the end of FF were higher in the methionine deficient group. In the G2 purebred Muscovy progeny, GMMD tended to decrease 4 week body weight in both sexes, and decreased weight gain between the ages of 4 and 12 weeks, 12 week body weight, and body weight at the end of FF in male offspring only. GMMD tended to increase liver weight and increased the carcass proportion of liver in both sexes. Altogether, these results show that the mother's diet is able to affect traits linked to growth and to lipid metabolism in the offspring of her sons, in Muscovy ducks. Whether this transmission through the father of information induced in the grand-mother by the environment is epigenetic remains to be demonstrated.

JPRS Report, Soviet Union, Problems of the Far East, No. 2, March-April 1987.

DTIC Science & Technology

1987-09-29

g P ^ ^ Jned forces abroad (nearly 500,000 °™"*™.™in he region, including APR. A ramified system of US ^,1’\\a^ P/.1, a c s e s /enment marked by...dsel in that mined, to a considerable extent, bV ™ ff/ X u w y gashed region that the USA used atomic weaP^ s for the^ ™insi the Korean...fication and activisation of all forces favouring peace and opSng the of!3! pro^T™^ GiVen th, S SÜUati0n fhe POlitiCal £*^™ which bars the use of force

Installation Restoration Program. Phase 1 - Records Search, Castle AFB, California

DTIC Science & Technology

1983-10-01

2 WAEEESnm vl-dddwd. ,de~, ~~~~~S.’. 4.. fC . 4h.1 Ff* To n 4w .64w Sim. .23 " -ta. fqU % . V.int i. few I. i& xi & T s - -f - R //5 . " T...iaaPa 1 l] 4 W. 0. 2162 W=L NO. 34-A Atwater District NW* of Section 6-7-13 Drilled by No I.D. December 194 0 - 5 Soil 541 or 18" #14 Ga. Double...Air Force Base. AFESC: Air Force Engineering and Services Center. AFFF : Aqueous Film Forming Foam, a fire extinquishing agent. *APR: Air Force

SU-G-BRB-05: Automation of the Photon Dosimetric Quality Assurance Program of a Linear Accelerator

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

Lebron, S; Lu, B; Yan, G

Purpose: To develop an automated method to calculate a linear accelerator (LINAC) photon radiation field size, flatness, symmetry, output and beam quality in a single delivery for flattened (FF) and flattening-filter-free (FFF) beams using an ionization chamber array. Methods: The proposed method consists of three control points that deliver 30×30, 10×10 and 5×5cm{sup 2} fields (FF or FFF) in a step-and-shoot sequence where the number of monitor units is weighted for each field size. The IC Profiler (Sun Nuclear Inc.) with 5mm detector spacing was used for this study. The corrected counts (CCs) were calculated and the locations of themore » maxima and minima values of the first-order gradient determined data of each sub field. Then, all CCs for each field size are summed in order to obtain the final profiles. For each profile, the radiation field size, symmetry, flatness, output factor and beam quality were calculated. For field size calculation, a parameterized gradient method was used. For method validation, profiles were collected in the detector array both, individually and as part of the step-and-shoot plan, with 9.9cm buildup for FF and FFF beams at 90cm source-to-surface distance. The same data were collected with the device (plus buildup) placed on a movable platform to achieve a 1mm resolution. Results: The differences between the dosimetric quantities calculated from both deliveries, individually and step-and-shoot, were within 0.31±0.20% and 0.04±0.02mm. The differences between the calculated field sizes with 5mm and 1mm resolution were ±0.1mm. Conclusion: The proposed single delivery method proved to be simple and efficient in automating the photon dosimetric monthly and annual quality assurance.« less

Cost-effectiveness analysis of three different combinations of inhalers for severe and very severe chronic obstructive pulmonary disease patients at a tertiary care teaching hospital of South India.

PubMed

Altaf, Mohammed; Zubedi, Ayesha Mubeen; Nazneen, Fareesa; Kareemulla, Shaik; Ali, Syed Amir; Aleemuddin, N M; Hannan Hazari, Md Abdul

2015-01-01

This study aims at simplifying the practical patient management and offers some general indications for pharmacotherapeutic choice by the implementation of (Global Initiative for Chronic Lung Disease) guidelines. This study was designed to evaluate the clinical and economic consequences of salmeterol/fluticasone (SF), formoterol/budesonide (FB), and formoterol/fluticasone (FF) in severe and very severe chronic obstructive pulmonary disease (COPD) patients. The aim was to find out the most cost-effective drug combination between the three combinations (SF/FB/FF) in COPD patients. A prospective observational comparative study (cost-effectiveness analysis), in which 90 severe (30 ≤ forced expiratory volume in 1 s [FEV1] <50% predicted) and very severe (FEV1 < 30% predicted) COPD patients (outpatients/inpatients) who are prescribed with any one of the following combinations (SF/FB/FF) were selected. In our study, we have divided 90 COPD patients into three groups (Group I, Group II, and Group III) each group consisting of 30 patients. Group I was prescribed with medication SF, Group II with medication FB, and Group III with medication FF. We used five different parameters such as spirometry test (mean FEV1 initial and final visit), number of symptom-free days (SFDs), number of moderate and severe exacerbations, Number of days of hospitalization and direct, indirect, and total cost to assess the cost-effectiveness of SF/FB/FF. Comparison of cost and effects was done during the period of 6 months of using SF/FB/FF. The average FEV1 for Group I, Group II, and Group III subjects at initial visit was 33.47%, 33.73%, and 33.20% and was increased to 36.60%, 35.8%, and 33.4%, respectively. A 3% increment in FEV1 was reported for Group I subjects (SF) and was highly significant statistically (t = -8.833, P = 0.000) at 95% CI. For Group II subjects (FB), a 2% increment in FEV1 was reported and was highly significant statistically (t = -9.001, P = 0.000) at 95% CI. For Group III (FF) subjects 0.2% increment in FEV1. The overall mean total cost for Group I, Group II, and Group III subjects during the 6 months period was found to be Rs. 29,725/-, Rs. 32,602/- and Rs. 37,155/-. Incremental cost-effectiveness of FB versus SF was Rs. 37,781/- per avoided exacerbation and Rs. 661/-per SFD. This study highlights the favorable therapeutic performance of combined inhaled bronchodilators and corticosteroids (SF/FB/FF), thus suggesting that healthcare costs would be also affected positively. Results from our study showed that SF and FB were the most effective strategies in the treatment of COPD, with a slight clinical superiority of SF. The FF strategy was not much effective (i.e. associated with fewer outcomes and higher costs).

Folding of the four-helix bundle FF domain from a compact on-pathway intermediate state is governed predominantly by water motion.

PubMed

Sekhar, Ashok; Vallurupalli, Pramodh; Kay, Lewis E

2012-11-20

Friction plays a critical role in protein folding. Frictional forces originating from random solvent and protein fluctuations both retard motion along the folding pathway and activate protein molecules to cross free energy barriers. Studies of friction thus may provide insights into the driving forces underlying protein conformational dynamics. However, the molecular origin of friction in protein folding remains poorly understood because, with the exception of the native conformer, there generally is little detailed structural information on the other states participating in the folding process. Here, we study the folding of the four-helix bundle FF domain that proceeds via a transiently formed, sparsely populated compact on-pathway folding intermediate whose structure was elucidated previously. Because the intermediate is stabilized by both native and nonnative interactions, friction in the folding transition between intermediate and folded states is expected to arise from intrachain reorganization in the protein. However, the viscosity dependencies of rates of folding from or unfolding to the intermediate, as established by relaxation dispersion NMR spectroscopy, clearly indicate that contributions from internal friction are small relative to those from solvent, so solvent frictional forces drive the folding process. Our results emphasize the importance of solvent dynamics in mediating the interconversion between protein configurations, even those that are highly compact, and in equilibrium folding/unfolding fluctuations in general.

Atomic insight into tribochemical wear mechanism of silicon at the Si/SiO2 interface in aqueous environment: Molecular dynamics simulations using ReaxFF reactive force field

NASA Astrophysics Data System (ADS)

Wen, Jialin; Ma, Tianbao; Zhang, Weiwei; Psofogiannakis, George; van Duin, Adri C. T.; Chen, Lei; Qian, Linmao; Hu, Yuanzhong; Lu, Xinchun

2016-12-01

In this work, the atomic mechanism of tribochemical wear of silicon at the Si/SiO2 interface in aqueous environment was investigated using ReaxFF molecular dynamics (MD) simulations. Two types of Si atom removal pathways were detected in the wear process. The first is caused by the destruction of stretched Si-O-Si bonds on the Si substrate surface and is assisted by the attachment of H atoms on the bridging oxygen atoms of the bonds. The other is caused by the rupture of Si-Si bonds in the stretched Si-Si-O-Si bond chains at the interface. Both pathways effectively remove Si atoms from the silicon surface via interfacial Si-O-Si bridge bonds. Our simulations also demonstrate that higher pressures applied to the silica phase can cause more Si atoms to be removed due to the formation of increased numbers of interfacial Si-O-Si bridge bonds. Besides, water plays a dual role in the wear mechanism, by oxidizing the Si substrate surface as well as by preventing the close contact of the surfaces. This work shows that the removal of Si atoms from the substrate is a result of both chemical reaction and mechanical effects and contributes to the understanding of tribochemical wear behavior in the microelectromechanical systems (MEMS) and Si chemical mechanical polishing (CMP) process.

The photovoltaic impact of atomic layer deposited TiO2 interfacial layer on Si-based photodiodes

NASA Astrophysics Data System (ADS)

Karabulut, Abdulkerim; Orak, İkram; Türüt, Abdulmecit

2018-06-01

In present work, photocurrent, current-voltage (I-V) and capacitance/conductance-voltage-frequency (C/G-V-f) measurements were analyzed for the photodiode and diode parameters of Al/TiO2/p-Si structure. The TiO2 thin film structure was deposited on p-Si by using atomic layer deposition technique (ALD) and its thickness was about 10 nm. The surface morphology of TiO2 coated on p-Si structure was observed via atomic force microscope (AFM). Barrier height (Φb) and ideality factor (n) values of device were found to be 0.80 eV, 0.70 eV, 0.56 eV and 1.04, 2.24, 10.27 under dark, 10 and 100 mW/cm2, respectively. Some photodiodes parameters such as fill factor (FF), power efficiency (%η), open circuit voltage (Voc), short circuit current (Isc) were obtained from I-V measurement under different light intensity. FF and η were accounted 49.2, 39,0 and 0.05, 0.45 under 10 and 100 mW/cm2 light power intensity, respectively. C-2-V graph was plotted from C-V-f measurements and zero bias voltage (V0), donor concentration (Nd), Fermi energy (EF), barrier height (Φb) and maximum electric field (Em) were determined from C-2-V data for different frequencies. The electrical and photocurrent values demonstrated that it can be used for photodiode, photo detector and photo sensing applications.

Reduced Point Charge Models of Proteins: Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin Systems.

PubMed

Leherte, Laurence; Vercauteren, Daniel P

2017-10-26

We investigate the influence of various solvent models on the structural stability and protein-water interface of three ubiquitin complexes (PDB access codes: 1Q0W , 2MBB , 2G3Q ) modeled using the Amber99sb force field (FF) and two different point charge distributions. A previously developed reduced point charge model (RPCM), wherein each amino acid residue is described by a limited number of point charges, is tested and compared to its all-atom (AA) version. The complexes are solvated in TIP4P-Ew or TIP3P type water molecules, involving either the scaling of the Lennard-Jones protein-O water interaction parameters, or the coarse-grain (CG) SIRAH water description. The best agreements between the RPCM and AA models were obtained for structural, protein-water, and ligand-ubiquitin properties when using the TIP4P-Ew water FF with a scaling factor γ of 0.7. At the RPCM level, a decrease in γ, or the inclusion of SIRAH particles, allows weakening of the protein-water interactions. It results in a slight collapse of the protein structure and a less compact hydration shell and, thus, in a decrease in the number of protein-water and water-water H-bonds. The dynamics of the surface protein atoms and of the water shell molecules are also slightly refrained, which allow the generation of stable RPCM trajectories.

Efficacy of Formoterol Fumarate Delivered by Metered Dose Inhaler Using Co-Suspension™ Delivery Technology Versus Foradil® Aerolizer® in Moderate-To-Severe COPD: A Randomized, Dose-Ranging Study.

PubMed

Sethi, Sanjay; Fogarty, Charles; Hanania, Nicola A; Martinez, Fernando J; Rennard, Stephen; Fries, Michael; Orevillo, Chad; Darken, Patrick; St Rose, Earl; Strom, Shannon; Fischer, Tracy; Golden, Michael; Dwivedi, Sarvajna; Reisner, Colin

2016-11-17

Background: Co-Suspension™ Delivery Technology offers a novel pharmaceutical platform for inhaled drug therapy. This randomized, double-blind, placebo-controlled, single-dose study (NCT01349868) evaluated the efficacy of a range of doses for formoterol fumarate (FF) delivered using Co-Suspension delivery technology via a pressurized metered dose inhaler (MDI) versus placebo in patients with moderate-to-severe chronic obstructive pulmonary disease (COPD). Secondary objectives included determination of non-inferior efficacy and systemic exposure compared with open-label Foradil ® 12 μg (Foradil ® Aerolizer ® ; formoterol fumarate dry powder inhaler). Methods: Patients received each of the 6 study treatments (FF MDI [7.2, 9.6 and 19.2μg], placebo MDI and open-label Foradil ® [12 and 24µg]), separated by 3-10 days. Spirometry was performed 60 and 30 minutes prior to and at regular intervals up to 12 hours post-administration of study drug. The primary outcome measure was the change in forced expiratory volume in 1 second (FEV 1 ) area under the curve between 0 and 12 hours (AUC 0-12 ) relative to test day baseline. Results: A total of 50 patients were randomized to study treatment sequences. All doses of FF MDI demonstrated superiority to placebo ( p <0.0001) and non-inferiority to Foradil ® 12μg, on bronchodilator outcome measures. No serious adverse events were reported during the study. Conclusions: This study demonstrates non-inferiority of bronchodilator response and bioequivalent exposure of FF MDI 9.6μg to Foradil ® 12μg, with both agents exhibiting a similar safety profile in patients with moderate-to-severe COPD. This study supports the selection of FF MDI 9.6µg for further evaluation in Phase III trials.

The social cost of alcohol, tobacco and illicit drugs in France, 1997.

PubMed

Fenoglio, Philippe; Parel, Véronique; Kopp, Pierre

2003-01-01

AIM, DESIGN AND SETTING: The economic costs of alcohol, tobacco and illicit drugs to French society are estimated using a cost of illness framework. For the cause of disease or death (using ICD-9 categories), pooled relative risk estimates from meta-analyses were combined with prevalence data by age and gender to derive the proportion attributable to alcohol, tobacco and/or illicit drugs. The resulting estimates of attributable deaths and hospitalizations were used to calculate the associated health care, law enforcement, productivity and other costs. The results were compared with those of other studies, and sensitivity analyses were conducted by alternative ways of measuring risk attribution and costs. The use of alcohol, tobacco and illicit drugs cost more than 200 billion francs (FF) in France in 1997, representing 3714 FF per capita or 2.7% of the gross domestic product (GDP). Alcohol is the drug that gives rise to the greatest cost in France, i.e. 115420.91 million FF (1.42% of GDP) or an expenditure per capita of 1966 FF in 1997. Alcohol takes more than half of the social cost of drugs to society. The greatest share of the social cost of alcohol comes from the loss of productivity (57555.66 million FF), due to premature death (53168.60 million FF), morbidity (3884.0 million FF) and imprisonment (503.06 million FF). Tobacco leads to a social cost of 89256.90 million FF, that is an expenditure per capita of 1520.56 FF or 1.1% of GDP. Productivity losses amount to 50446.70 million FF, with losses of 42765.80 million FF as a result of premature death and 7680.90 million FF linked to morbidity. Health care costs for tobacco occupy second place at 26973.70 million FF. Illicit drugs generate a social cost of 13350.28 million FF, that is an expenditure per capita of 227.43 FF or 0.16% of GDP. Productivity losses reach 6099.19 million FF, with 5246.92 million FF linked to imprisonment and 852.27 million FF to premature death. The cost of enforcing the law for illicit drugs occupies second place at 3911.46 million FF, followed by health care costs of 1524.51 million FF. Substance abuse exact a considerable toll from French society in terms of illness, injury, death and economic costs. Copyright 2003 S. Karger AG, Basel

A sparse reconstruction method for the estimation of multi-resolution emission fields via atmospheric inversion

DOE PAGES

Ray, J.; Lee, J.; Yadav, V.; ...

2015-04-29

Atmospheric inversions are frequently used to estimate fluxes of atmospheric greenhouse gases (e.g., biospheric CO 2 flux fields) at Earth's surface. These inversions typically assume that flux departures from a prior model are spatially smoothly varying, which are then modeled using a multi-variate Gaussian. When the field being estimated is spatially rough, multi-variate Gaussian models are difficult to construct and a wavelet-based field model may be more suitable. Unfortunately, such models are very high dimensional and are most conveniently used when the estimation method can simultaneously perform data-driven model simplification (removal of model parameters that cannot be reliably estimated) andmore » fitting. Such sparse reconstruction methods are typically not used in atmospheric inversions. In this work, we devise a sparse reconstruction method, and illustrate it in an idealized atmospheric inversion problem for the estimation of fossil fuel CO 2 (ffCO 2) emissions in the lower 48 states of the USA. Our new method is based on stagewise orthogonal matching pursuit (StOMP), a method used to reconstruct compressively sensed images. Our adaptations bestow three properties to the sparse reconstruction procedure which are useful in atmospheric inversions. We have modified StOMP to incorporate prior information on the emission field being estimated and to enforce non-negativity on the estimated field. Finally, though based on wavelets, our method allows for the estimation of fields in non-rectangular geometries, e.g., emission fields inside geographical and political boundaries. Our idealized inversions use a recently developed multi-resolution (i.e., wavelet-based) random field model developed for ffCO 2 emissions and synthetic observations of ffCO 2 concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of 2. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems.« less

A sparse reconstruction method for the estimation of multi-resolution emission fields via atmospheric inversion

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

Ray, J.; Lee, J.; Yadav, V.

Atmospheric inversions are frequently used to estimate fluxes of atmospheric greenhouse gases (e.g., biospheric CO 2 flux fields) at Earth's surface. These inversions typically assume that flux departures from a prior model are spatially smoothly varying, which are then modeled using a multi-variate Gaussian. When the field being estimated is spatially rough, multi-variate Gaussian models are difficult to construct and a wavelet-based field model may be more suitable. Unfortunately, such models are very high dimensional and are most conveniently used when the estimation method can simultaneously perform data-driven model simplification (removal of model parameters that cannot be reliably estimated) andmore » fitting. Such sparse reconstruction methods are typically not used in atmospheric inversions. In this work, we devise a sparse reconstruction method, and illustrate it in an idealized atmospheric inversion problem for the estimation of fossil fuel CO 2 (ffCO 2) emissions in the lower 48 states of the USA. Our new method is based on stagewise orthogonal matching pursuit (StOMP), a method used to reconstruct compressively sensed images. Our adaptations bestow three properties to the sparse reconstruction procedure which are useful in atmospheric inversions. We have modified StOMP to incorporate prior information on the emission field being estimated and to enforce non-negativity on the estimated field. Finally, though based on wavelets, our method allows for the estimation of fields in non-rectangular geometries, e.g., emission fields inside geographical and political boundaries. Our idealized inversions use a recently developed multi-resolution (i.e., wavelet-based) random field model developed for ffCO 2 emissions and synthetic observations of ffCO 2 concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of 2. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems.« less

Automated high resolution full-field spatial coherence tomography for quantitative phase imaging of human red blood cells

NASA Astrophysics Data System (ADS)

Singla, Neeru; Dubey, Kavita; Srivastava, Vishal; Ahmad, Azeem; Mehta, D. S.

2018-02-01

We developed an automated high-resolution full-field spatial coherence tomography (FF-SCT) microscope for quantitative phase imaging that is based on the spatial, rather than the temporal, coherence gating. The Red and Green color laser light was used for finding the quantitative phase images of unstained human red blood cells (RBCs). This study uses morphological parameters of unstained RBCs phase images to distinguish between normal and infected cells. We recorded the single interferogram by a FF-SCT microscope for red and green color wavelength and average the two phase images to further reduced the noise artifacts. In order to characterize anemia infected from normal cells different morphological features were extracted and these features were used to train machine learning ensemble model to classify RBCs with high accuracy.

Tissue imaging using full field optical coherence microscopy with short multimode fiber probe

NASA Astrophysics Data System (ADS)

Sato, Manabu; Eto, Kai; Goto, Tetsuhiro; Kurotani, Reiko; Abe, Hiroyuki; Nishidate, Izumi

2018-03-01

In achieving minimally invasive accessibility to deeply located regions the size of the imaging probes is important. We demonstrated full-field optical coherence tomography (FF-OCM) using an ultrathin forward-imaging short multimode fiber (SMMF) probe of 50 μm core diameter, 125 μm diameter, and 7.4 mm length for optical communications. The axial resolution was measured to be 2.14 μm and the lateral resolution was also evaluated to be below 4.38 μm using a test pattern (TP). The spatial mode and polarization characteristics of SMMF were evaluated. Inserting SMMF to in vivo rat brain, 3D images were measured and 2D information of nerve fibers was obtained. The feasibility of an SMMF as an ultrathin forward-imaging probe in FF-OCM has been demonstrated.

Design and package of a {sup 14}CO{sub 2} field analyzer The Global Monitor Platform (GMP)

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

Bright, Michelle; Marino, Bruno D.V.; Gronniger, Glen

2011-08-01

Carbon Capture and Sequestration (CCS) is widely accepted as a means to reduce and eliminate the fossil fuel CO{sub 2} (ff- CO{sub 2}) emissions from coal fired power plants. Success of CCS depends on near zero leakage rates over decadal time scales. Currently no commercial methods to determine leakage of ff-CO{sub 2} are available. The Global Monitor Platform (GMP) field analyzer provides high precision analysis of CO{sub 2} isotopes [12C (99%), 13C (<1%), 14C (1.2x10-10 %)] that can differentiate between fossil and biogenic CO{sub 2} emissions. Fossil fuels contain no {sup 14}C; their combustion should lower atmospheric amounts on localmore » to global scales. There is a clear mandate for monitoring, verification and accounting (MVA) of CCS systems nationally and globally to verify CCS integrity, treaty verification (Kyoto Protocol) and to characterize the nuclear fuel cycle. Planetary Emissions Management (PEM), working with the National Secure Manufacturing Center (NSMC), has the goal of designing, ruggedizing and packaging the GMP for field deployment. The system will conduct atmosphere monitoring then adapt the system to monitor water and soil evaluations. Measuring {sup 14}CO{sub 2} in real time will provide quantitative concentration data for ff-CO{sub 2} in the atmosphere and CCS leakage detection. Initial results will be discussed along with design changes for improved detection sensitivity and manufacturability.« less

Automatic Selection of Multiple Images in the Frontier Field Clusters

NASA Astrophysics Data System (ADS)

Mahler, Guillaume; Richard, Johan; Patricio, Vera; Clément, Benjamin; Lagattuta, David

2015-08-01

Probing the central mass distribution of massive galaxy clusters is an important step towards mapping the overall distribution of their dark matter content. Thanks to gravitational lensing and the appearance of multiple images, we can constrain the inner region of galaxy clusters with a high precision. The Frontier Fields (FF) provide us with the deepest HST data ever in such clusters. Currently, most multiple-image systems are found by eye, yet in the FF, we expect hundreds to exist.Thus, In order to deal with such huge amounts of data, we need to method develop an automated detection method.I present a new tool to perform this task, MISE (Multiple Images SEarcher), a program which identifies multiple images by combining their specific properties. In particular, multiple images must: a) have similar colors, b) have similar surface brightnesses, and c) appear in locations predicted by a specific lensing configuration.I will describe the tuning and performances of MISE on both the FF clusters and the simulated clusters HERA and ARES. MISE allows us to not confirm multiple images identified visually, but also detect new multiple-image candidates in MACS0416 and A2744, giving us additional constraints on the mass distribution in these clusters. A spectroscopic follow-up of these candidates is currently underway with MUSE.

Nucleon form factors in dispersively improved chiral effective field theory. II. Electromagnetic form factors

NASA Astrophysics Data System (ADS)

Alarcón, J. M.; Weiss, C.

2018-05-01

We study the nucleon electromagnetic form factors (EM FFs) using a recently developed method combining chiral effective field theory (χ EFT ) and dispersion analysis. The spectral functions on the two-pion cut at t >4 Mπ2 are constructed using the elastic unitarity relation and an N /D representation. χ EFT is used to calculate the real functions J±1(t ) =f±1(t ) /Fπ(t ) (ratios of the complex π π →N N ¯ partial-wave amplitudes and the timelike pion FF), which are free of π π rescattering. Rescattering effects are included through the empirical timelike pion FF | Fπ(t) | 2 . The method allows us to compute the isovector EM spectral functions up to t ˜1 GeV2 with controlled accuracy (leading order, next-to-leading order, and partial next-to-next-to-leading order). With the spectral functions we calculate the isovector nucleon EM FFs and their derivatives at t =0 (EM radii, moments) using subtracted dispersion relations. We predict the values of higher FF derivatives, which are not affected by higher-order chiral corrections and are obtained almost parameter-free in our approach, and explain their collective behavior. We estimate the individual proton and neutron FFs by adding an empirical parametrization of the isoscalar sector. Excellent agreement with the present low-Q2 FF data is achieved up to ˜0.5 GeV2 for GE, and up to ˜0.2 GeV2 for GM. Our results can be used to guide the analysis of low-Q2 elastic scattering data and the extraction of the proton charge radius.

Revised Atomistic Models of the Crystal Structure of C-S-H with high C/S Ratio

NASA Astrophysics Data System (ADS)

Kovačević, Goran; Nicoleau, Luc; Nonat, André; Veryazov, Valera

2016-09-01

The atomic structure of calcium-silicate-hydrate (C1.67-S-Hx) has been studied. Atomistic C-S-H models suggested in our previous study have been revised in order to perform a direct comparison of energetic stability of the different structures. An extensive set of periodic structures of C-S-H with variation of water content was created, and then optimized using molecular dynamics with reactive force field ReaxFF and quantum chemical semiempirical method PM6. All models show organization of water molecules inside the structure of C-S-H. The new geometries of C-S-H, reported in this paper, show lower relative energy with respect to the geometries from the original definition of C-S-H models. Model that corresponds to calcium enriched tobermorite structure has the lowest relative energy and the density closest to the experimental values.

Development of the ReaxFFCBN reactive force field for the improved design of liquid CBN hydrogen storage materials.

PubMed

Pai, Sung Jin; Yeo, Byung Chul; Han, Sang Soo

2016-01-21

Liquid CBN (carbon-boron-nitrogen) hydrogen-storage materials such as 3-methyl-1,2-BN-cyclopentane have the advantage of being easily accessible for use in current liquid-fuel infrastructure. To develop practical liquid CBN hydrogen-storage materials, it is of great importance to understand the reaction pathways of hydrogenation/dehydrogenation in the liquid phase, which are difficult to discover by experimental methods. Herein, we developed a reactive force field (ReaxFFCBN) from quantum mechanical (QM) calculations based on density functional theory for the storage of hydrogen in BN-substituted cyclic hydrocarbon materials. The developed ReaxFFCBN provides similar dehydrogenation pathways and energetics to those predicted by QM calculations. Moreover, molecular dynamics (MD) simulations with the developed ReaxFFCBN can predict the stability and dehydrogenation behavior of various liquid CBN hydrogen-storage materials. Our simulations reveal that a unimolecular dehydrogenation mechanism is preferred in liquid CBN hydrogen-storage materials. However, as the temperature in the simulation increases, the contribution of a bimolecular dehydrogenation mechanism also increases. Moreover, our ReaxFF MD simulations show that in terms of thermal stability and dehydrogenation kinetics, liquid CBN materials with a hexagonal structure are more suitable materials than those with a pentagonal structure. We expect that the developed ReaxFFCBN could be a useful protocol in developing novel liquid CBN hydrogen-storage materials.

A Molecular Dynamics Study of Single-Walled Carbon Nanotubes (SWCNTs) Dispersed in Bile Salt Surfactants

NASA Astrophysics Data System (ADS)

Phelan, Frederick, Jr.; Sun, Huai

2014-03-01

Single-walled carbon nanotubes (SWNCTs) are materials with structural, electronic and optical properties that make them attractive for a myriad of advanced technology applications. A practical barrier to their use is that SWCNT synthesis techniques produce heterogeneous mixtures of varying lengths and chirality, whereas applications generally require tubes with narrow size distributions and individual type. Most separation techniques currently in use to obtain monodisperse tube fractions rely on dispersion of these materials in aqueous solution using surfactants. The dispersion process results in a mixture of colloidal structures in which individual tubes are dispersed and contained in a surfactant shell. Understanding the structure and properties of the SWCNT-surfactant complex at the molecular level, and how this is affected by chirality, is key to understanding and improving separations processes. In this study, we use molecular dynamics (MD) simulations to study the structure and properties of SWCNT-surfactant colloidal complexes. We tested a number of methods and protocols in order to build an accurate model for simulating SWCNT systems for a variety of bile salt surfactants as well as anionic co-surfactants, components that are widely used and important in experimental separation studies at NIST. The custom force field parameters used here will be stored in WebFF, a Web-hosted smart force-field repository for polymeric and organic materials being developed at NIST for the Materials Genome Initiative.

Counterintelligence Screening Needed lo Reduce Security Threat That Unscreened Local National Linguists Pose to U.S. Forces (REDACTED)

DTIC Science & Technology

2012-12-07

Commander, U.S. Forces- Afghanistan -- - ·--·- --· I A., B. l., and B.2. FOR OFFICl/rlJ BSE O:PflrlI ii F0R 0FFiCM-L HSE 0Nhi’ Table of...Our Response 13 Appendices A. Scope and Methodology 15 Use of Computer Processed Data 16 Prior Coverage 16 1 F0R 0FFiCIA±i HSE 0Nl-J’l F61t...security screening process for escorted entry while on U.S. Forces’ installations in Afghanistan. FOR 0ff’ICikb HSE 0"Pfb Y 5 F6:K 6FFl€1A:b ffl

[Association between VDR gene polymorphisms and HOMA index for prediabetes in Ningxia].

PubMed

Liao, Sha; He, Jun; Li, Xiaoxia; Xu, Honexia; Liu, Xiuying; Zhao, Yi; Zhang, Yuhong

2016-03-01

To explore the association between the vitamin D receptor (VDR) gene polymorphisms and HOMA index in prediabetes. On the basis of a cross-sectional study which was conducted in Ningxia during 2008-2012, 339 controls and 468 subjects with prediabetes were selected according to ADA diabetes diagnosis standards. Anthropometric data and blood samples were collected in the field investigation. Blood biochemistry analyses and insulin determination were carried out in the laboratory. The whole blood DNA was extracted for genotyping. The BMI, WC, FPG and HOMA-IR of individuals with prediabetes were higher than those of the controls, while the HOMA-B and HOMA-S in cases were lower than those of the controls (P < 0.05). In BsmI, individuals with prediabetes carrying genotype BB/Bb showed lower HOMA-B than bb carrier, and they showed significantly higher HOMA-S than bb carriers (P < 0.05). After adjusting age, sex, BMI, TC, TG and SBP, low level HOMA-B index was the risk factor of prediabetes in individuals who carried genotype BB/Bb for BsmI and genotype FF/Ff/ff for FokI (OR > 1 , P < 0.05 ), and the genotype ff got the highest risk level (OR = 10.59). In FokI, the Ff carriers with low level HOMA-S and HOM-IR were also the risk factors of prediabetes (OR > 1, P < 0.05). The VDR gene polymorphisms appeared to be associated with HOMA index in prediabetes. The BsmI polymorphism seemed to influence HOMA-B, while the FokI polymorphism influence HOMA-B and HOMA-IR at different levels.

Application of fluence field modulation to proton computed tomography for proton therapy imaging.

PubMed

Dedes, G; De Angelis, L; Rit, S; Hansen, D; Belka, C; Bashkirov, V; Johnson, R P; Coutrakon, G; Schubert, K E; Schulte, R W; Parodi, K; Landry, G

2017-07-12

This simulation study presents the application of fluence field modulated computed tomography, initially developed for x-ray CT, to proton computed tomography (pCT). By using pencil beam (PB) scanning, fluence modulated pCT (FMpCT) may achieve variable image quality in a pCT image and imaging dose reduction. Three virtual phantoms, a uniform cylinder and two patients, were studied using Monte Carlo simulations of an ideal list-mode pCT scanner. Regions of interest (ROI) were selected for high image quality and only PBs intercepting them preserved full fluence (FF). Image quality was investigated in terms of accuracy (mean) and noise (standard deviation) of the reconstructed proton relative stopping power compared to reference values. Dose calculation accuracy on FMpCT images was evaluated in terms of dose volume histograms (DVH), range difference (RD) for beam-eye-view (BEV) dose profiles and gamma evaluation. Pseudo FMpCT scans were created from broad beam experimental data acquired with a list-mode pCT prototype. FMpCT noise in ROIs was equivalent to FF images and accuracy better than  -1.3%(-0.7%) by using 1% of FF for the cylinder (patients). Integral imaging dose reduction of 37% and 56% was achieved for the two patients for that level of modulation. Corresponding DVHs from proton dose calculation on FMpCT images agreed to those from reference images and 96% of BEV profiles had RD below 2 mm, compared to only 1% for uniform 1% of FF. Gamma pass rates (2%, 2 mm) were 98% for FMpCT while for uniform 1% of FF they were as low as 59%. Applying FMpCT to preliminary experimental data showed that low noise levels and accuracy could be preserved in a ROI, down to 30% modulation. We have shown, using both virtual and experimental pCT scans, that FMpCT is potentially feasible and may allow a means of imaging dose reduction for a pCT scanner operating in PB scanning mode. This may be of particular importance to proton therapy given the low integral dose found outside the target.

Comparison of the near field/far field model and the advanced reach tool (ART) model V1.5: exposure estimates to benzene during parts washing with mineral spirits.

PubMed

LeBlanc, Mallory; Allen, Joseph G; Herrick, Robert F; Stewart, James H

2018-03-01

The Advanced Reach Tool V1.5 (ART) is a mathematical model for occupational exposures conceptually based on, but implemented differently than, the "classic" Near Field/Far Field (NF/FF) exposure model. The NF/FF model conceptualizes two distinct exposure "zones"; the near field, within approximately 1m of the breathing zone, and the far field, consisting of the rest of the room in which the exposure occurs. ART has been reported to provide "realistic and reasonable worst case" estimates of the exposure distribution. In this study, benzene exposure during the use of a metal parts washer was modeled using ART V1.5, and compared to actual measured workers samples and to NF/FF model results from three previous studies. Next, the exposure concentrations expected to be exceeded 25%, 10% and 5% of the time for the exposure scenario were calculated using ART. Lastly, ART exposure estimates were compared with and without Bayesian adjustment. The modeled parts washing benzene exposure scenario included distinct tasks, e.g. spraying, brushing, rinsing and soaking/drying. Because ART can directly incorporate specific types of tasks that are part of the exposure scenario, the present analysis identified each task's determinants of exposure and performance time, thus extending the work of the previous three studies where the process of parts washing was modeled as one event. The ART 50th percentile exposure estimate for benzene (0.425ppm) more closely approximated the reported measured mean value of 0.50ppm than the NF/FF model estimates of 0.33ppm, 0.070ppm or 0.2ppm obtained from other modeling studies of this exposure scenario. The ART model with the Bayesian analysis provided the closest estimate to the measured value (0.50ppm). ART (with Bayesian adjustment) was then used to assess the 75th, the 90th and 95th percentile exposures, predicting that on randomly selected days during this parts washing exposure scenario, 25% of the benzene exposures would be above 0.70ppm; 10% above 0.95ppm; and 5% above 1.15ppm. These exposure estimates at the three different percentiles of the ART exposure distribution refer to the modeled exposure scenario not a specific workplace or worker. This study provides a detailed comparison of modeling tools currently available to occupational hygienists and other exposure assessors. Possible applications are considered. Copyright © 2017 Elsevier GmbH. All rights reserved.

Performance of Axial-Flow Supersonic Compressor of XJ55-FF-1 Turbojet Engine. III; Over-All Performance of Compressor

NASA Technical Reports Server (NTRS)

Hartmann, Melvin J.; Tysl, Edward R.

1949-01-01

An investigation was conducted to determine the performance characteristics of the rotor and inlet guide vanes used in the axial-flow supersonic compressor of the XJ55-FF-1 turbojet engine. Outlet stators used in the engine were omitted to facilitate study of the supersonic rotor. The extent of the deviation from design performance indicates that the design-shock configuration was not obtained. A maximum pressure ratio of 2.26 was obtained at an equivalent tip speed of 1614 feet per second and an adiabatic efficiency of 0.61. The maximum efficiency obtained was 0.79 at an equivalent tip speed of 801 feet per second and a pressure ratio of 1.29. The performance obtained was considerably below design performance. The effective aerodynamic forces encountered appeared to be large enough to cause considerable damage to the thin aluminum leading edges of the rotor blades.

Preliminary Airworthiness Evaluation of the AH-1S (Modernized Cobra) with the HELLFIRE, TOW, and Stinger Missiles Installed

DTIC Science & Technology

1984-10-01

is ready for engagement. The SCAS pitch, roll, and yaw engage switches energize the appropriate channels of the SCAS and the electrical solenoid valves ...I 4i TFF FF iff iT1Ii F1T ’I" 114~~~~7. FF+4441UF - - 4-� 1;4 444 1~ FF1 111410 4 IB1: TIF FF 1F V4j UVFFtli T FF’HI F F FF F F tF1 F ’’ ’-FF11 1

Ff-nano, short functionalized nanorods derived from Ff (f1, fd, or M13) filamentous bacteriophage

PubMed Central

Sattar, Sadia; Bennett, Nicholas J.; Wen, Wesley X.; Guthrie, Jenness M.; Blackwell, Len F.; Conway, James F.; Rakonjac, Jasna

2015-01-01

F-specific filamentous phage of Escherichia coli (Ff: f1, M13, or fd) are long thin filaments (860 nm × 6 nm). They have been a major workhorse in display technologies and bionanotechnology; however, some applications are limited by the high length-to-diameter ratio of Ff. Furthermore, use of functionalized Ff outside of laboratory containment is in part hampered by the fact that they are genetically modified viruses. We have now developed a system for production and purification of very short functionalized Ff-phage-derived nanorods, named Ff-nano, that are only 50 nm in length. In contrast to standard Ff-derived vectors that replicate in E. coli and contain antibiotic-resistance genes, Ff-nano are protein-DNA complexes that cannot replicate on their own and do not contain any coding sequences. These nanorods show an increased resistance to heating at 70∘C in 1% SDS in comparison to the full-length Ff phage of the same coat composition. We demonstrate that functionalized Ff-nano particles are suitable for application as detection particles in sensitive and quantitative “dipstick” lateral flow diagnostic assay for human plasma fibronectin. PMID:25941520

Ff-nano, short functionalized nanorods derived from Ff (f1, fd, or M13) filamentous bacteriophage.

PubMed

Sattar, Sadia; Bennett, Nicholas J; Wen, Wesley X; Guthrie, Jenness M; Blackwell, Len F; Conway, James F; Rakonjac, Jasna

2015-01-01

F-specific filamentous phage of Escherichia coli (Ff: f1, M13, or fd) are long thin filaments (860 nm × 6 nm). They have been a major workhorse in display technologies and bionanotechnology; however, some applications are limited by the high length-to-diameter ratio of Ff. Furthermore, use of functionalized Ff outside of laboratory containment is in part hampered by the fact that they are genetically modified viruses. We have now developed a system for production and purification of very short functionalized Ff-phage-derived nanorods, named Ff-nano, that are only 50 nm in length. In contrast to standard Ff-derived vectors that replicate in E. coli and contain antibiotic-resistance genes, Ff-nano are protein-DNA complexes that cannot replicate on their own and do not contain any coding sequences. These nanorods show an increased resistance to heating at 70(∘)C in 1% SDS in comparison to the full-length Ff phage of the same coat composition. We demonstrate that functionalized Ff-nano particles are suitable for application as detection particles in sensitive and quantitative "dipstick" lateral flow diagnostic assay for human plasma fibronectin.

Electro-quasistatic analysis of an electrostatic induction micromotor using the cell method.

PubMed

Monzón-Verona, José Miguel; Santana-Martín, Francisco Jorge; García-Alonso, Santiago; Montiel-Nelson, Juan Antonio

2010-01-01

An electro-quasistatic analysis of an induction micromotor has been realized by using the Cell Method. We employed the direct Finite Formulation (FF) of the electromagnetic laws, hence, avoiding a further discretization. The Cell Method (CM) is used for solving the field equations at the entire domain (2D space) of the micromotor. We have reformulated the field laws in a direct FF and analyzed physical quantities to make explicit the relationship between magnitudes and laws. We applied a primal-dual barycentric discretization of the 2D space. The electric potential has been calculated on each node of the primal mesh using CM. For verification purpose, an analytical electric potential equation is introduced as reference. In frequency domain, results demonstrate the error in calculating potential quantity is neglected (<3‰). In time domain, the potential value in transient state tends to the steady state value.

Electro-Quasistatic Analysis of an Electrostatic Induction Micromotor Using the Cell Method

PubMed Central

Monzón-Verona, José Miguel; Santana-Martín, Francisco Jorge; García–Alonso, Santiago; Montiel-Nelson, Juan Antonio

2010-01-01

An electro-quasistatic analysis of an induction micromotor has been realized by using the Cell Method. We employed the direct Finite Formulation (FF) of the electromagnetic laws, hence, avoiding a further discretization. The Cell Method (CM) is used for solving the field equations at the entire domain (2D space) of the micromotor. We have reformulated the field laws in a direct FF and analyzed physical quantities to make explicit the relationship between magnitudes and laws. We applied a primal-dual barycentric discretization of the 2D space. The electric potential has been calculated on each node of the primal mesh using CM. For verification purpose, an analytical electric potential equation is introduced as reference. In frequency domain, results demonstrate the error in calculating potential quantity is neglected (<3‰). In time domain, the potential value in transient state tends to the steady state value. PMID:22163397

1.5 °C carbon budget dependent on carbon cycle uncertainty and future non-CO2 forcing.

PubMed

Mengis, Nadine; Partanen, Antti-Ilari; Jalbert, Jonathan; Matthews, H Damon

2018-04-11

Estimates of the 1.5 °C carbon budget vary widely among recent studies, emphasizing the need to better understand and quantify key sources of uncertainty. Here we quantify the impact of carbon cycle uncertainty and non-CO 2 forcing on the 1.5 °C carbon budget in the context of a prescribed 1.5 °C temperature stabilization scenario. We use Bayes theorem to weight members of a perturbed parameter ensemble with varying land and ocean carbon uptake, to derive an estimate for the fossil fuel (FF) carbon budget of 469 PgC since 1850, with a 95% likelihood range of (411,528) PgC. CO 2 emissions from land-use change (LUC) add about 230 PgC. Our best estimate of the total (FF + LUC) carbon budget for 1.5 °C is therefore 699 PgC, which corresponds to about 11 years of current emissions. Non-CO 2 greenhouse gas and aerosol emissions represent equivalent cumulative CO 2 emissions of about 510 PgC and -180 PgC for 1.5 °C, respectively. The increased LUC, high non-CO 2 emissions and decreased aerosols in our scenario, cause the long-term FF carbon budget to decrease following temperature stabilization. In this scenario, negative emissions would be required to compensate not only for the increasing non-CO 2 climate forcing, but also for the declining natural carbon sinks.

A Review of the Growth of the Fast Food Industry in China and Its Potential Impact on Obesity.

PubMed

Wang, Youfa; Wang, Liang; Xue, Hong; Qu, Weidong

2016-11-09

The fast-food (FF) industry and obesity rates have rapidly increased in China. This study examined the FF industry growth in China, key factors contributing to the growth, and the association between FF consumption (FFC) and obesity. We collected related data from multiple sources and conducted analysis including linear regression analysis on the increase in FF revenue. It was found that FF industry in China is large, with over two million FF facilities. Its total revenue (in million US$) increased from 10,464 in 1999 to 94,218 in 2013, and by 13% annually since 2008. Increased income, urbanization, busier lifestyle, speedy FF service, assurance of food safety, new brands and foods have stimulated demand for FF. Studies have linked FFC with obesity risk, including a few reporting a positive association between FFC and obesity in China. Rapid expansion of Western-style FF restaurants has also stimulated local FF industry growth. Government regulation and public health education need to address the health consequences of rapidly increasing FFC. Lessons learned in China will help other countries.

A Review of the Growth of the Fast Food Industry in China and Its Potential Impact on Obesity

PubMed Central

Wang, Youfa; Wang, Liang; Xue, Hong; Qu, Weidong

2016-01-01

The fast-food (FF) industry and obesity rates have rapidly increased in China. This study examined the FF industry growth in China, key factors contributing to the growth, and the association between FF consumption (FFC) and obesity. We collected related data from multiple sources and conducted analysis including linear regression analysis on the increase in FF revenue. It was found that FF industry in China is large, with over two million FF facilities. Its total revenue (in million US$) increased from 10,464 in 1999 to 94,218 in 2013, and by 13% annually since 2008. Increased income, urbanization, busier lifestyle, speedy FF service, assurance of food safety, new brands and foods have stimulated demand for FF. Studies have linked FFC with obesity risk, including a few reporting a positive association between FFC and obesity in China. Rapid expansion of Western-style FF restaurants has also stimulated local FF industry growth. Government regulation and public health education need to address the health consequences of rapidly increasing FFC. Lessons learned in China will help other countries. PMID:27834887

A NASTRAN Vibration Model of the AH-1G Helicopter Airframe. Volume 2

DTIC Science & Technology

1974-06-01

8217 ; - 5 .- .- .- a "i ^ r. i A. f\\ n i, ft. . - •• H-16.1 i n.iMim—ta^nmniMiir HlPPmf^f^^"^^—^PPPPP^ BPP ^WPPilWPiJPiP l"IMWI I^P^I...ff-*«’M-o<r’«ffNO*ffff^ff^-a>-*ff nM^j + ^^^o-öin — -»ff^»*»rMOx|M^.o-»Off-aff’* ffa ".«ri’ftjir’ff- — ^^-ff-» ■»■♦ **’Mtvj’"«r*0 Off^f^^iM^n^^—O

Dynamics of confined reactive water in smectite clay-zeolite composites.

PubMed

Pitman, Michael C; van Duin, Adri C T

2012-02-15

The dynamics of water confined to mesoporous regions in minerals such as swelling clays and zeolites is fundamental to a wide range of resource management issues impacting many processes on a global scale, including radioactive waste containment, desalination, and enhanced oil recovery. Large-scale atomic models of freely diffusing multilayer smectite particles at low hydration confined in a silicalite cage are used to investigate water dynamics in the composite environment with the ReaxFF reactive force field over a temperature range of 300-647 K. The reactive capability of the force field enabled a range of relevant surface chemistry to emerge, including acid/base equilibria in the interlayer calcium hydrates and silanol formation on the edges of the clay and inner surface of the zeolite housing. After annealing, the resulting clay models exhibit both mono- and bilayer hydration structures. Clay surface hydration redistributed markedly and yielded to silicalite water loading. We find that the absolute rates and temperature dependence of water dynamics compare well to neutron scattering data and pulse field gradient measures from relevant samples of Ca-montmorillonite and silicalite, respectively. Within an atomistic, reactive context, our results distinguish water dynamics in the interlayer Ca(OH)(2)·nH(2)O environment from water flowing over the clay surface, and from water diffusing within silicalite. We find that the diffusion of water when complexed to Ca hydrates is considerably slower than freely diffusing water over the clay surface, and the reduced mobility is well described by a difference in the Arrhenius pre-exponential factor rather than a change in activation energy.

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite

NASA Astrophysics Data System (ADS)

Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R.

2018-06-01

We present a molecular-level simulation study of CaCl2 in water and crystalline hydrates formed by CaCl2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl2.6H2O) and at high-temperature conditions (sinjarite, CaCl2.2H2O). We implement our methodologies using for both phases the CaCl2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg-1H2O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the used FF does not provide a good description of the experimental properties considered and suggest that improvement must take into account the crystalline properties.

Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite.

PubMed

Moučka, Filip; Kolafa, Jiří; Lísal, Martin; Smith, William R

2018-06-14

We present a molecular-level simulation study of CaCl 2 in water and crystalline hydrates formed by CaCl 2 at ambient (298.15 K, 1 bar) conditions and at a high-temperature high-pressure state (365 K, 275 bars) typical of hydraulic fracturing conditions in natural-gas extraction, at which experimental properties are poorly characterized. We focus on simulations of chemical potentials in both solution and crystalline phases and on the salt solubility, the first time to our knowledge that such properties have been investigated by molecular simulation for divalent aqueous electrolytes. We first extend our osmotic ensemble Monte Carlo simulation technique [F. Moučka et al., J. Phys. Chem. B 115, 7849-7861 (2011)] to such solutions. We then describe and apply new methodology for the simulation of the chemical potentials of the experimentally observed crystalline hydrates at ambient conditions (antarcticite, CaCl 2 ·6H 2 O) and at high-temperature conditions (sinjarite, CaCl 2 ·2H 2 O). We implement our methodologies using for both phases the CaCl 2 transferable force field (FF) based on simple point charge-extended water developed by Mamatkulov et al. [J. Chem. Phys. 138, 024505 (2013)], based on training sets involving single-ion and ion-pair low-concentration solution properties at near-ambient conditions. We find that simulations of the solution chemical potentials at high concentrations are somewhat problematic, exhibiting densities diverging from experimental values and accompanied by dramatically decreasing particle mobility. For the solid phases, the sinjarite crystalline lattice differs from experiment only slightly, whereas the simulations of antarcticite completely fail, due to instability of the crystalline lattice. The FF thus only successfully yields the sinjarite solubility, but its value m = 8.0(7) mol kg -1 H 2 O lies well below the experimentally observed solubility range at 1 bar pressure of (12m, 15m) in the temperature interval (320 K, 400 K). We conclude that the used FF does not provide a good description of the experimental properties considered and suggest that improvement must take into account the crystalline properties.

When feedback fails: the scaling and saturation of star formation efficiency

NASA Astrophysics Data System (ADS)

Grudić, Michael Y.; Hopkins, Philip F.; Faucher-Giguère, Claude-André; Quataert, Eliot; Murray, Norman; Kereš, Dušan

2018-04-01

We present a suite of 3D multiphysics MHD simulations following star formation in isolated turbulent molecular gas discs ranging from 5 to 500 parsecs in radius. These simulations are designed to survey the range of surface densities between those typical of Milky Way giant molecular clouds (GMCs) ({˜ } 10^2 {M_{\\odot } pc^{-2}}) and extreme ultraluminous infrared galaxy environments ({˜ } 10^4 {M_{\\odot } pc^{-2}}) so as to map out the scaling of the cloud-scale star formation efficiency (SFE) between these two regimes. The simulations include prescriptions for supernova, stellar wind, and radiative feedback, which we find to be essential in determining both the instantaneous per-freefall (ɛff) and integrated (ɛint) star formation efficiencies. In all simulations, the gas discs form stars until a critical stellar surface density has been reached and the remaining gas is blown out by stellar feedback. We find that surface density is a good predictor of ɛint, as suggested by analytic force balance arguments from previous works. SFE eventually saturates to ˜1 at high surface density. We also find a proportional relationship between ɛff and ɛint, implying that star formation is feedback-moderated even over very short time-scales in isolated clouds. These results have implications for star formation in galactic discs, the nature and fate of nuclear starbursts, and the formation of bound star clusters. The scaling of ɛff with surface density is not consistent with the notion that ɛff is always ˜ 1 per cent on the scale of GMCs, but our predictions recover the ˜ 1 per cent value for GMC parameters similar to those found in spiral galaxies, including our own.

Physical function interfering with pain and symptoms in fibromyalgia patients.

PubMed

Assumpção, A; Sauer, J F; Mango, P C; Pascual Marques, A

2010-01-01

The aim of this study was to assess the relationship between variables of physical assessment - muscular strength, flexibility and dynamic balance - with pain, pain threshold, and fibromyalgia symptoms (FM). Our sample consists of 55 women, with age ranging from 30 to 55 years (mean of 46.5, (standard deviation, SD=6.6)), mean body mass index (BMI) of 28.7 (3.8) and diagnosed for FM according to the American College of Rheumatology criteria. Pain intensity was measured using a visual analogue scale (VAS) and pain threshold (PT) using Fisher's dolorimeter. FM symptoms were assessed by the Fibromyalgia Impact Questionnaire (FIQ); flexibility by the third finger to floor test (3FF); the muscular strength index (MSI) by the maximum volunteer isometric contraction at flexion and extension of right knee and elbow using a force transducer, dynamic balance by the time to get up and go (TUG) test and the functional reach test (FRT). Data were analysed using Pearson's correlation, as well as simple and multivariate regression tests, with significance level of 5%. PT and FIQ were weakly but significantly correlated with the TUG, MSI and 3FF as well as VAS with the TUG and MSI (p<0.05). VAS, PT and FIQ was not correlated with FRT. Simple regression suggests that, alone, TUG, FR, MSI and 3FF are low predictors of VAS, PT and FIQ. For the VAS, the best predictive model includes TUG and MSI, explaining 12.6% of pain variability. For TP and total symptoms, as obtained by the FIQ, most predictive model includes 3FF and MSI, which respectively respond by 30% and 21% of the variability. Muscular strength, flexibility and balance are associated with pain, pain threshold, and symptoms in FM patients.

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Sinha, Chandana

2010-01-01

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very loud incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it. The scattering weave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts the exchange approximation has only been considered. We calculate the laser assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Free-Free Transitions in the Presence of Laser Fields at Very Low Incident Electron Energy

NASA Technical Reports Server (NTRS)

Bhatia, Anand K.; Sinha, Chandana

2009-01-01

We study the free-free transition in electron-hydrogenic systems in ground state in presence of an external laser field at very low incident energies. The laser field is treated classically while the collision dynamics is treated quantum mechanically. The laser field is chosen to be monochromatic, linearly polarized and homogeneous. The incident electron is considered to be dressed by the laser in a nonperturbative manner by choosing a Volkov wave function for it The scattering wave function for the electron is solved numerically by taking into account the effect of the electron exchange, short-range as well as of the long-range interactions to get the S and P wave phase shifts while for the higher angular momentum phase shifts, the exchange approximation has only been considered. We calculate the laser-assisted differential cross sections (LADCS) for the aforesaid free-free transition process for single photon absorption/emission. The laser intensity is chosen to be much less than the atomic field intensity. A strong suppression is noted in the LADCS as compared to the field free (FF) cross sections. Unlike the FF ones, the LADCS exhibit some oscillations having a distinct maximum at a low value of the scattering angle depending on the laser parameters as well as on the incident energies.

Correlative super-resolution fluorescence microscopy combined with optical coherence microscopy

NASA Astrophysics Data System (ADS)

Kim, Sungho; Kim, Gyeong Tae; Jang, Soohyun; Shim, Sang-Hee; Bae, Sung Chul

2015-03-01

Recent development of super-resolution fluorescence imaging technique such as stochastic optical reconstruction microscopy (STORM) and photoactived localization microscope (PALM) has brought us beyond the diffraction limits. It allows numerous opportunities in biology because vast amount of formerly obscured molecular structures, due to lack of spatial resolution, now can be directly observed. A drawback of fluorescence imaging, however, is that it lacks complete structural information. For this reason, we have developed a super-resolution multimodal imaging system based on STORM and full-field optical coherence microscopy (FF-OCM). FF-OCM is a type of interferometry systems based on a broadband light source and a bulk Michelson interferometer, which provides label-free and non-invasive visualization of biological samples. The integration between the two systems is simple because both systems use a wide-field illumination scheme and a conventional microscope. This combined imaging system gives us both functional information at a molecular level (~20nm) and structural information at the sub-cellular level (~1μm). For thick samples such as tissue slices, while FF-OCM is readily capable of imaging the 3D architecture, STORM suffer from aberrations and high background fluorescence that substantially degrade the resolution. In order to correct the aberrations in thick tissues, we employed an adaptive optics system in the detection path of the STORM microscope. We used our multimodal system to obtain images on brain tissue samples with structural and functional information.

Sex and cultural differences in the acceptance of functional foods: a comparison of American, Canadian, and French college students.

PubMed

Kolodinsky, Jane; Labrecque, JoAnne; Doyon, Maurice; Reynolds, Travis; Oble, Frédéric; Bellavance, François; Marquis, Marie

2008-01-01

Functional foods (FF)--foods containing nutritional supplements in addition to natural nutrients--have an increasing presence in the marketplace. Expanding on previous research, the authors investigated college students' acceptance of FF. In September--March 2004, 811 undergraduates in Canada, the United States, and France participated in the study. A self-administered questionnaire measured students' general food attitudes and beliefs as well as FF-related knowledge, attitudes, beliefs, and purchase intention. Overall, participants slightly favored FF over traditional foods. However, although most respondents associated FF with positive health benefits, many remained dubious of currently available FF information. In terms of culture and sex, the authors found small but significant divergences in FF knowledge, attitudes, and behaviors. Stronger labeling and education efforts may increase cross-cultural acceptance of FF by college students.

Kalman-filtered compressive sensing for high resolution estimation of anthropogenic greenhouse gas emissions from sparse measurements.

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

Ray, Jaideep; Lee, Jina; Lefantzi, Sophia

2013-09-01

The estimation of fossil-fuel CO2 emissions (ffCO2) from limited ground-based and satellite measurements of CO2 concentrations will form a key component of the monitoring of treaties aimed at the abatement of greenhouse gas emissions. The limited nature of the measured data leads to a severely-underdetermined estimation problem. If the estimation is performed at fine spatial resolutions, it can also be computationally expensive. In order to enable such estimations, advances are needed in the spatial representation of ffCO2 emissions, scalable inversion algorithms and the identification of observables to measure. To that end, we investigate parsimonious spatial parameterizations of ffCO2 emissions whichmore » can be used in atmospheric inversions. We devise and test three random field models, based on wavelets, Gaussian kernels and covariance structures derived from easily-observed proxies of human activity. In doing so, we constructed a novel inversion algorithm, based on compressive sensing and sparse reconstruction, to perform the estimation. We also address scalable ensemble Kalman filters as an inversion mechanism and quantify the impact of Gaussian assumptions inherent in them. We find that the assumption does not impact the estimates of mean ffCO2 source strengths appreciably, but a comparison with Markov chain Monte Carlo estimates show significant differences in the variance of the source strengths. Finally, we study if the very different spatial natures of biogenic and ffCO2 emissions can be used to estimate them, in a disaggregated fashion, solely from CO2 concentration measurements, without extra information from products of incomplete combustion e.g., CO. We find that this is possible during the winter months, though the errors can be as large as 50%.« less

Strong Lensing Mass Reconstruction: from Frontier Fields to the Typical Lensing Clusters of Future Surveys

NASA Astrophysics Data System (ADS)

Sharon, Keren; Gladders, Michael D.; Rigby, Jane R.; Bayliss, Matthew B.; Wuyts, Eva; Dahle, Håkon; Johnson, Traci L.; Florian, Michael K.; Dunham, Samuel; Murray, Katherine; Whitaker, Kate; Li, Nan

Driven by the unprecedented wealth of high quality data that is accumulating for the Frontier Fields, they are becoming some of the best-studied strong lensing clusters to date, and probably the next few years. As will be discussed intensively in this focus meeting, the FF prove transformative for many fields: from studies of the high redshift Universe, to the assembly and structure of the clusters themselves. The FF data and the extensive collaborative effort around this program will also allow us to examine and improve upon current lens modeling techniques. Strong lensing is a powerful tool for mass reconstruction of the cores of galaxy clusters of all scales, providing an estimate of the total (dark and seen) projected mass density distribution out to 0.5 Mpc. Though SL mass may be biased by contribution from structures along the line of sight, its strength is that it is relatively insensitive to assumptions on cluster baryon astrophysics and dynamical state. Like the Frontier Fields clusters, the most ``famous'' strong lensing clusters are at the high mass end; they lens dozens of background sources into multiple images, providing ample lensing constraints. In this talk, I will focus on how we can leverage what we learn from modeling the FF clusters in strong lensing studies of the hundreds of clusters that will be discovered in upcoming surveys. In typical clusters, unlike the Frontier Fields, the Bullet Cluster and A1689, we observe only one to a handful of background sources, and have limited lensing constraints. I will describe the limitations that such a configuration imposes on strong lens modeling, highlight measurements that are robust to the richness of lensing evidence, and address the sources of uncertainty and what sort of information can help reduce those uncertainties. This category of lensing clusters is most relevant to the wide cluster surveys of the future.

Strong Lensing Mass Reconstruction: from Frontier Fields to the Typical Lensing Clusters of Future Surveys

NASA Astrophysics Data System (ADS)

Sharon, Keren

2015-08-01

Driven by the unprecedented wealth of high quality data that is accumulating for the Frontier Fields, they are becoming some of the best-studied strong lensing clusters to date, and probably the next few years. As will be discussed intensively in this focus meeting, the FF prove transformative for many fields: from studies of the high redshift Universe, to the assembly and structure of the clusters themselves. The FF data and the extensive collaborative effort around this program will also allow us to examine and improve upon current lens modeling techniques. Strong lensing is a powerful tool for mass reconstruction of the cores of galaxy clusters of all scales, providing an estimate of the total (dark and seen) projected mass density distribution out to ~0.5 Mpc. Though SL mass may be biased by contribution from structures along the line of sight, its strength is that it is relatively insensitive to assumptions on cluster baryon astrophysics and dynamical state. Like the Frontier Fields clusters, the most "famous" strong lensing clusters are at the high mass end; they lens dozens of background sources into multiple images, providing ample lensing constraints. In this talk, I will focus on how we can leverage what we learn from modeling the FF clusters in strong lensing studies of the hundreds of clusters that will be discovered in upcoming surveys. In typical clusters, unlike the Frontier Fields, the Bullet Cluster and A1689, we observe only one to a handful of background sources, and have limited lensing constraints. I will describe the limitations that such a configuration imposes on strong lens modeling, highlight measurements that are robust to the richness of lensing evidence, and address the sources of uncertainty and what sort of information can help reduce those uncertainties. This category of lensing clusters is most relevant to the wide cluster surveys of the future.

Quality of Life Parity Analysis for POM-82

DTIC Science & Technology

1980-06-01

effectively manage the DOD Family Housing ’Program, and also to provide input for the Five Year Defense Program (FYDP). (U) The requirements resulting from...Program is a centrally managed social services assistance pro- gram. The Navy Family Program is a centrally coordinated support program. The Air Force has...Welfare and Recreation; U Family Housing; Unaccompanied Personnel Housing; 0ff-Duty Education; Familly Support; Alcohol and Drug Abuse 30. AISITRACT

Effects of Plasma ZrN Metallurgy and Shot Peening Duplex Treatment on Fretting Wear and Fretting Fatigue Behavior of Ti6Al4V Alloy.

PubMed

Tang, Jingang; Liu, Daoxin; Zhang, Xiaohua; Du, Dongxing; Yu, Shouming

2016-03-23

A metallurgical zirconium nitride (ZrN) layer was fabricated using glow metallurgy using nitriding with zirconiuming prior treatment of the Ti6Al4V alloy. The microstructure, composition and microhardness of the corresponding layer were studied. The influence of this treatment on fretting wear (FW) and fretting fatigue (FF) behavior of the Ti6Al4V alloy was studied. The composite layer consisted of an 8-μm-thick ZrN compound layer and a 50-μm-thick nitrogen-rich Zr-Ti solid solution layer. The surface microhardness of the composite layer is 1775 HK 0.1 . A gradient in cross-sectional microhardness distribution exists in the layer. The plasma ZrN metallurgical layer improves the FW resistance of the Ti6Al4V alloy, but reduces the base FF resistance. This occurs because the improvement in surface hardness results in lowering of the toughness and increasing in the notch sensitivity. Compared with shot peening treatment, plasma ZrN metallurgy and shot peening composite treatment improves the FW resistance and enhances the FF resistance of the Ti6Al4V alloy. This is attributed to the introduction of a compressive stress field. The combination of toughness, strength, FW resistance and fatigue resistance enhance the FF resistance for titanium alloy.

Effects of Plasma ZrN Metallurgy and Shot Peening Duplex Treatment on Fretting Wear and Fretting Fatigue Behavior of Ti6Al4V Alloy

PubMed Central

Tang, Jingang; Liu, Daoxin; Zhang, Xiaohua; Du, Dongxing; Yu, Shouming

2016-01-01

A metallurgical zirconium nitride (ZrN) layer was fabricated using glow metallurgy using nitriding with zirconiuming prior treatment of the Ti6Al4V alloy. The microstructure, composition and microhardness of the corresponding layer were studied. The influence of this treatment on fretting wear (FW) and fretting fatigue (FF) behavior of the Ti6Al4V alloy was studied. The composite layer consisted of an 8-μm-thick ZrN compound layer and a 50-μm-thick nitrogen-rich Zr–Ti solid solution layer. The surface microhardness of the composite layer is 1775 HK0.1. A gradient in cross-sectional microhardness distribution exists in the layer. The plasma ZrN metallurgical layer improves the FW resistance of the Ti6Al4V alloy, but reduces the base FF resistance. This occurs because the improvement in surface hardness results in lowering of the toughness and increasing in the notch sensitivity. Compared with shot peening treatment, plasma ZrN metallurgy and shot peening composite treatment improves the FW resistance and enhances the FF resistance of the Ti6Al4V alloy. This is attributed to the introduction of a compressive stress field. The combination of toughness, strength, FW resistance and fatigue resistance enhance the FF resistance for titanium alloy. PMID:28773345

A canonical correlation analysis on the relationship between functional fitness and health-related quality of life in older adults.

PubMed

Chung, Pak-Kwong; Zhao, Yanan; Liu, Jing-Dong; Quach, Binh

This study aimed to explore the relationship between the functional fitness (FF) and health-related quality of life (HRQoL) in older adults, and to identify the key subdimensions of FF and HRQoL influencing their overall relationship. This cross-sectional study was performed among 851 independent community members (65-84 years; men=402). The Senior Fitness Test and the Short Form 36 Health Survey were used to measure FF and HRQoL, respectively. A canonical correlation analysis was conducted using seven fitness variables as predictors of eight HRQoL variables to examine the relationship between FF and HRQoL. The overall FF was positively correlated with the overall HRQoL in both men (canonical correlation=0.350) and women (canonical correlation=0.456). The up-and-go and 2-min step contributed the most to FF, and physical functioning contributed the most to HRQOL among men. Conversely, the up-and-go and 30-s chair stand contributed the most to FF, and physical functioning contributed the most to HRQoL in women. There were positive and moderate relationships between overall FF and overall HRQOL in older adults. The FF has a significant influence on HRQoL, particularly physical functioning. The main FF components influencing the relationship between FF and HRQoL in men are balance and agility and aerobic endurance, whereas in women they are balance and agility and lower extremity muscle strength. Results from this study facilitate comprehensively understanding the relationship between FF and HRQoL, and generating critical insight into HRQoL improvement from the perspective of FF enhancement. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Decreasing food fussiness in children with obesity leads to greater weight loss in family-based treatment.

PubMed

Hayes, Jacqueline F; Altman, Myra; Kolko, Rachel P; Balantekin, Katherine N; Holland, Jodi Cahill; Stein, Richard I; Saelens, Brian E; Welch, R Robinson; Perri, Michael G; Schechtman, Kenneth B; Epstein, Leonard H; Wilfley, Denise E

2016-10-01

Food fussiness (FF), or the frequent rejection of both familiar and unfamiliar foods, is common among children and, given its link to poor diet quality, may contribute to the onset and/or maintenance of childhood obesity. This study examined child FF in association with anthropometric variables and diet in children with overweight/obesity participating in family-based behavioral weight loss treatment (FBT). Change in FF was assessed in relation to FBT outcome, including whether change in diet quality mediated the relation between change in FF and change in child weight. Child (N = 170; age = 9.41 ± 1.23) height and weight were measured, and parents completed FF questionnaires and three 24-h recalls of child diet at baseline and post-treatment. Healthy Eating Index-2005 scores were calculated. At baseline, child FF was related to lower vegetable intake. Average child FF decreased from start to end of FBT. Greater decreases in FF were associated with greater reductions in child body mass index and improved overall diet quality. Overall, diet quality change through FBT mediated the relation between child FF change and child body mass index change. Children with high FF can benefit from FBT, and addressing FF may be important in childhood obesity treatment to maximize weight outcomes. © 2016 The Obesity Society.

Chemical shift-based MRI to measure fat fractions in dystrophic skeletal muscle

PubMed Central

Triplett, William T.; Baligand, Celine; Forbes, Sean C.; Willcocks, Rebecca J.; Lott, Donovan J.; DeVos, Soren; Pollaro, Jim; Rooney, William D.; Sweeney, H. Lee; Bönnemann, Carsten; Wang, Dah-Jyuu; Vandenborne, Krista; Walter, Glenn A.

2014-01-01

Purpose The relationship between FF determined based on multiple TE, unipolar GE images and 1H-MRS was evaluated using different models for fat-water decomposition, signal-to-noise ratios (SNR), and excitation flip angles. Methods A combination of single voxel proton spectroscopy (1H-MRS) and gradient echo (GE) imaging was used to determine muscle fat fractions (FF) in both normal and dystrophic muscles. In order to cover a large range of FF, the soleus and vastus lateralis muscles of 22 unaffected control (CON), 16 subjects with Collagen VI (COL6), and 71 subjects with Duchenne muscular dystrophy (DMD) were studied. 1H-MRS based FF were corrected for the increased muscle 1H2O T1 and T2 values observed in dystrophic muscles. Results Excellent agreement was found between co-registered FF derived from GE images fit to a multipeak model with noise bias correction and the relaxation corrected 1H-MRS FF (y= 0.93×+0.003; R2=0.96) across the full range of FF. Relaxation corrected 1H-MRS FF and imaging based FF were significantly elevated (p<0.01) in both COL6 and DMD muscles. Conclusion FF, T2, and T1 were all sensitive to muscle involvement in dystrophic muscle. MRI offered an additional advantage over single voxel spectroscopy in that the tissue heterogeneity in FF could be readily determined. PMID:24006208

Super-Resolving Properties of Metallodielectric Stacks

DTIC Science & Technology

2010-01-01

i i B A   TMM formalism 11332211 ... += nnn TPTPTPTPTF        2221 1211 ff ff F 2 11 2 11 21 1, f T f f R ==)exp())exp()exp(( xiziBziAE...a b s (H )2 i n a .u Plot of the Magnetic field squared across the thickness of MDS1 consisting of Ag and GaP layers. There is an overlay of the...photonic band gaps)”         l  i ZR r i Zw r Zw w tEtrZE )()( exp )( )(),,( 2 2 2 0 0 l  20

Radiation Characterization Summary: ACRR Central Cavity Free-Field Environment with the 32-Inch Pedestal at the Core Centerline (ACRR-FF-CC-32-cl).

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

Vega, Richard Manuel; Parma, Edward J.; Naranjo, Gerald E.

2015-08-01

This document presents the facilit y - recommended characteri zation o f the neutron, prompt gamma - ray, and delayed gamma - ray radiation fields in the Annular Core Research Reactor ( ACRR ) for the cen tral cavity free - field environment with the 32 - inch pedestal at the core centerline. The designation for this environmen t is ACRR - FF - CC - 32 - cl. The neutron, prompt gamma - ray , and delayed gamma - ray energy spectra , uncertainties, and covariance matrices are presented as well as radial and axial neutron and gamma -more » ray fluence profiles within the experiment area of the cavity . Recommended constants are given to facilitate the conversion of various dosimetry readings into radiation metrics desired by experimenters. Representative pulse operations are presented with conversion examples . Acknowledgements The authors wish to th ank the Annular Core Research Reactor staff and the Radiation Metrology Laboratory staff for their support of this work . Also thanks to David Ames for his assistance in running MCNP on the Sandia parallel machines.« less

Extracting Near-Field Structures Related to Noise Production in High Speed Jet

NASA Astrophysics Data System (ADS)

Kan, Pinqing; Lewalle, Jacques; Syracuse University Team

2015-11-01

Jet noise research started with Lighthill's seminal work on aerodynamic sound in 1952. The current consensus is that jet noise has two main kinds of sources, the large turbulent structures and the fine-scale turbulence. Coherent structures and the noise they produce are the focus of this paper because they offer better odds for control and they are associated with the most energetic part of the acoustic spectrum. We develop an algorithm using cross-correlation, continuous wavelet and pattern recognition techniques to search for near-field (NF) structures associated with far-field (FF) acoustic noise at aft angles. An experimental data is analyzed which measured a cold circular jet of Mach 0.6 (Low et al. 2013). The events identified are short wave packets in the time-frequency domain, distorted by ambient perturbations. The statistics of the event properties, including intermittency, frequency and magnitude are consistent with observations from other researchers. We investigate the localization and time sequencing of the events and use ensemble average to bring out the distinct structures associated to noise production. The filtered signals including / excluding the events are compared and the results are further tested using synthetic and randomized signals. This work has been funded by Spectral Energies LLC through an Air Force Research Lab SBIR, an AFOSR Grant and Syracuse University.

Ethanol turbulent spray flame response to gas velocity modulation

NASA Astrophysics Data System (ADS)

Fratalocchi, Virginia; Kok, Jim B. W.

2018-01-01

A numerical investigation of the interaction between a spray flame and an acoustic forcing of the velocity field is presented in this paper. In combustion systems, a thermoacoustic instability is the result of a process of coupling between oscillations in heat released and acoustic waves. When liquid fuels are used, the atomisation and the evaporation process also undergo the effects of such instabilities, and the computational fluid dynamics of these complex phenomena becomes a challenging task. In this paper, an acoustic perturbation is applied to the mass flow of the gas phase at the inlet and its effect on the evaporating fuel spray and on the flame front is investigated with unsteady Reynolds averaged Navier-Stokes numerical simulations. Two flames are simulated: a partially premixed ethanol/air spray flame and a premixed pre-vaporised ethanol/air flame, with and without acoustic forcing. The frequencies used to perturb the flames are 200 and 2500 Hz, which are representative for two different regimes. Those regimes are classified based on the Strouhal number St = (D/U)ff: at 200 Hz, St = 0.07, and at 2500 Hz, St = 0.8. The exposure of the flame to a 200 Hz signal results in a stretching of the flame which causes gas field fluctuations, a delay of the evaporation and an increase of the reaction rate. The coupling between the flame and the flow excitation is such that the flame breaks up periodically. At 2500 Hz, the evaporation rate increases but the response of the gas field is weak and the flame is more stable. The presence of droplets does not play a crucial role at 2500 Hz, as shown by a comparison of the discrete flame function in the case of spray and pre-vaporised flame. At low Strouhal number, the forced response of the pre-vaporised flame is much higher compared to that of the spray flame.

Preferential motor unit loss in the SOD1G93A transgenic mouse model of amyotrophic lateral sclerosis

PubMed Central

Hegedus, J; Putman, C T; Tyreman, N; Gordon, T

2008-01-01

The present study investigated motor unit (MU) loss in a murine model of familial amyotrophic lateral sclerosis (ALS). The fast-twitch tibialis anterior (TA) and medial gastrocnemius (MG) muscles of transgenic SOD1G93A and SOD1WT mice were studied during the presymptomatic phase of disease progression at 60 days of age. Whole muscle maximum isometric twitch and tetanic forces were 80% lower (P < 0.01) in the TA muscles of SOD1G93A compared to SOD1WT mice. Enumeration of total MU numbers within TA muscles showed a 60% reduction (P < 0.01) within SOD1G93A mice (38 ± 7) compared with SOD1WT controls (95 ± 12); this was attributed to a lower proportion of the most forceful fast-fatigable (FF) MU in SOD1G93A mice, as seen by a significant (P < 0.01) leftward shift in the cumulative frequency histogram of single MU forces. Similar patterns of MU loss and corresponding decreases in isometric twitch force were observed in the MG. Immunocytochemical analyses of the entire cross-sectional area (CSA) of serial sections of TA muscles stained with anti-neural cell adhesion molecule (NCAM) and various monoclonal antibodies for myosin heavy chain (MHC) isoforms showed respective 65% (P < 0.01) and 28% (P < 0.05) decreases in the number of innervated IIB and IID/X muscle fibres in SOD1G93A, which paralleled the 60% decrease (P < 0.01) in the force generating capacity of individual fibres. The loss of fast MUs was partially compensated by activity-dependent fast-to-slower fibre type transitions, as determined by increases (P < 0.04) in the CSA and proportion of IIA fibres (from 4% to 14%) and IID/X fibres (from 31% to 39%), and decreases (P < 0.001) in the CSA and proportion of type IIB fibres (from 65% to 44%). We conclude that preferential loss of IIB fibres is incomplete at 60 days of age, and is consistent with a selective albeit gradual loss of FF MUs that is not fully compensated by sprouting of the remaining motoneurons that innervate type IIA or IID/X muscle fibres. Our findings indicate that disease progression in fast-twitch muscles of SOD1G93A mice involves parallel processes: (1) gradual selective motor axon die-back of the FF motor units that contain large type IIB muscle fibres, and of fatigue-intermediate motor units that innervate type IID/X muscle fibres, and (2) activity-dependent conversion of motor units to those innervated by smaller motor axons innervating type IIA fatigue-resistant muscle fibres. PMID:18467368

Hepatic fat quantification using the two-point Dixon method and fat color maps based on non-alcoholic fatty liver disease activity score.

PubMed

Hayashi, Tatsuya; Saitoh, Satoshi; Takahashi, Junji; Tsuji, Yoshinori; Ikeda, Kenji; Kobayashi, Masahiro; Kawamura, Yusuke; Fujii, Takeshi; Inoue, Masafumi; Miyati, Tosiaki; Kumada, Hiromitsu

2017-04-01

The two-point Dixon method for magnetic resonance imaging (MRI) is commonly used to non-invasively measure fat deposition in the liver. The aim of the present study was to assess the usefulness of MRI-fat fraction (MRI-FF) using the two-point Dixon method based on the non-alcoholic fatty liver disease activity score. This retrospective study included 106 patients who underwent liver MRI and MR spectroscopy, and 201 patients who underwent liver MRI and histological assessment. The relationship between MRI-FF and MR spectroscopy-fat fraction was used to estimate the corrected MRI-FF for hepatic multi-peaks of fat. Then, a color FF map was generated with the corrected MRI-FF based on the non-alcoholic fatty liver disease activity score. We defined FF variability as the standard deviation of FF in regions of interest. Uniformity of hepatic fat was visually graded on a three-point scale using both gray-scale and color FF maps. Confounding effects of histology (iron, inflammation and fibrosis) on corrected MRI-FF were assessed by multiple linear regression. The linear correlations between MRI-FF and MR spectroscopy-fat fraction, and between corrected MRI-FF and histological steatosis were strong (R 2  = 0.90 and R 2  = 0.88, respectively). Liver fat variability significantly increased with visual fat uniformity grade using both of the maps (ρ = 0.67-0.69, both P < 0.001). Hepatic iron, inflammation and fibrosis had no significant confounding effects on the corrected MRI-FF (all P > 0.05). The two-point Dixon method and the gray-scale or color FF maps based on the non-alcoholic fatty liver disease activity score were useful for fat quantification in the liver of patients without severe iron deposition. © 2016 The Japan Society of Hepatology.

Failure kinetics in borosilicate glass during rod impact

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

Orphal, Dennis L.; Anderson, Charles E. Jr.; Behner, Thilo

2007-12-12

Failure front (FF) and penetration velocity have been measured for long gold rods impacting and penetrating borosilicate (BS) glass. Data are obtained by visualizing simultaneously FF propagation with a high speed camera and rod penetration with flash X-rays. Results for BS glass are qualitatively similar to those of DEDF (PbO) glass. FF velocity rapidly decreases from an initial value to a lower, approximately constant value. FF velocity increases with impact velocity, v{sub p}. The FF velocity remains significantly lower than the shear velocity, even at the highest impact velocity tested, about 2.5 km/s. The ratio of the FF velocity tomore » the rod penetration velocity, v{sub F}/u, decreases with increasing v{sub p} and appears to be approaching v{sub F}/u = 1 asymptotically, as observed previously for DEDF glass. The separation of the FF and the tip of the rod decreases with increasing impact velocity. Importantly, since v{sub F}/u{>=}1, the gold rod is always penetrating glass behind the FF.« less

Signal- and Listener-Based Factors in Complex Auditory Pattern Perception

DTIC Science & Technology

1993-11-09

manuscripts to leading journals . Two of these were based on research that was summarized in last year’s Annual Technical Report . The current report ...PERFORMING ORGANI1ZATION REPORT NUMIERIIS) S. MONITORING ORGANIZATION REPORT NuMBERISk ______________________AM USR- Th-, Ga NAME Of PERFORMING ORGANIZATION...Ob. OFFICE SYMBOL 7&. NAME OF MONITORING ORGANIZAFON Department of Psychol1ogy 4f apgdscabde,t Air Force O)ff ice of S cientific Researcl SUNY Stony

Right-Wing Extremism in Germany and the Consequences for the Armed Forces (Rechtsextreme orientierungen in deutschland und ihre folgen fuer die bundeswehr)

DTIC Science & Technology

2001-06-01

nicht kompati- bel" ( Findeisen /Kersten 1999: 32). In der rechtsextremen Jugendkultur k6nnten neben scheinbar ideologisch dominierten Gewaltausl6sern...Medienwirksamkeit der vorgetragenen ,,nhalte" Bertick- sicbtigung finden ( Findeisen /Kersten 1999: 32f.). Beztiglich ibrer identit~tsstiftenden Elemente...Pfahl-Traughber 1999b: 14 69ff.; Findeisen /Kersten 1999: 28f.). Familidre oder gesellschaftliche Desintegration, Arbeitslosigkeit, mangeindes

Air Emissions Inventory Guidance Document for Stationary Sources at Air Force Installations.

DTIC Science & Technology

1999-05-01

small stoker-fired boilers). sox Change to lower sulfur coal, Coal Cleaning, Flue Gas Desulfurization (e.g., wet scrubbing, spray drying, furnace...Multiclone Collector. SOx Flue Gas Desulfurization (e.g., wet , semi-dry, or dry scrubbers) NOx Low Excess Air, Burners out of Service, Biased Burner...both flue gas desulfurization spray dryer adsorber (FGD-SDA) and a fabric filter (FF). d Factors apply to boilers equipped with an electrostatic

Thermal and aqueous stability improvement of graphene oxide enhanced diphenylalanine nanocomposites

NASA Astrophysics Data System (ADS)

Ryan, Kate; Neumayer, Sabine M.; Maraka, Harsha Vardhan R.; Buchete, Nicolae-Viorel; Kholkin, Andrei L.; Rice, James H.; Rodriguez, Brian J.

2017-12-01

Nanocomposites of diphenylalanine (FF) and carbon based materials provide an opportunity to overcome drawbacks associated with using FF micro- and nanostructures in nanobiotechnology applications, in particular their poor structural stability in liquid solutions. In this study, FF/graphene oxide (GO) composites were found to self-assemble into layered micro- and nanostructures, which exhibited improved thermal and aqueous stability. Dependent on the FF/GO ratio, the solubility of these structures was reduced to 35.65% after 30 min as compared to 92.4% for pure FF samples. Such functional nanocomposites may extend the use of FF structures to e.g. biosensing, electrochemical, electromechanical or electronic applications.

The influence of particle size on the first flush strength of urban stormwater runoff.

PubMed

Morgan, D; Johnston, P; Osei, K; Gill, L

2017-10-01

The presence of a first flush (FF) of suspended solids (SS) in stormwater runoff has important implications for the design of treatment facilities, as does the particle size of solids. Whilst numerous studies have examined the FF behaviour of SS, few have disaggregated FF trends by particle size. In this study, the FF behaviour of SS was investigated in five size ranges, sampled from an urban stormwater drainage system located in Dublin, Ireland. A weak FF was exhibited in the gross fraction of SS, with just two events from 14 transporting more than 50% of the SS mass in the first 25% of runoff, implying that treatment structures should be capable of removing SS throughout the storm event. In the majority of rain events, the FF strength increased with decreasing particle size, probably related to the lower intensities required to dislodge solids at the onset of rainfall. Although FF strength was correlated with rain event characteristics, prediction intervals were too broad to confirm FF presence based on rainfall data alone. Therefore, the design of smaller treatment volumes based on an assumption of FF must be justified by local monitoring data.

Safety update regarding intranasal corticosteroids for the treatment of allergic rhinitis.

PubMed

Blaiss, Michael S

2011-01-01

Intranasal corticosteroids (INSs) are the most efficacious medication for the treatment of allergic rhinitis. In 2006, the Joint Task Force of the American College of Allergy, Asthma, and Immunology, and the American Academy of Allergy, Asthma, and Immunology, published a white paper on the potential over-the-counter switch of INS (Bielory L, Blaiss M, Fineman SM, et al. Concerns about intranasal corticosteroids for over-the-counter use: Position statement of the Joint Task Force for the American Academy of Allergy, Asthma and Immunology and the American College of Allergy, Asthma and Immunology. Ann Allergy Asthma Immunol 96:514-525, 2006). The concern of the paper was the safety of the use of these agents without oversight by a health care professional. The objective of this paper was to review published literature on the safety of INS since the publication of the task force white paper. Recent studies, which evaluated topical and systemic adverse events associated with ciclesonide (CIC), fluticasone furoate (FF), mometasone furoate (MF), triamcinolone acetonide, fluticasone propionate, budesonide, and beclomethasone dipropionate were summarized. In general, no significant topical or systemic complications were observed in these studies, although none were >1 year in duration. The newer formulations of topical corticosteroids for allergic rhinitis, such as CIC, FF, and MF, which have less systemic bioavailability, may be safer for long-term use. New studies continue to add to the reassurance of the safety of INSs in the treatment of allergic rhinitis but still do not answer the question if these agents are appropriate for long-term use without oversight by a health care professional.

Test Bus Evaluation

DTIC Science & Technology

1998-04-01

selected is statistically based on the total number of faults and the failure rate distribution in the system under test. The fault set is also...implemented the BPM and system level emulation consolidation logic as well as statistics counters for cache misses and various bus transactions. These...instruction F22 Advanced Tactical Fighter FET Field Effect Transitor FF Flip-Flop FM Failures/Milhon hours C-3 FPGA Field Programmable Gate Array GET

Numerical correction of distorted images in full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Min, Gihyeon; Kim, Ju Wan; Choi, Woo June; Lee, Byeong Ha

2012-03-01

We propose a numerical method which can numerically correct the distorted en face images obtained with a full field optical coherence tomography (FF-OCT) system. It is shown that the FF-OCT image of the deep region of a biological sample is easily blurred or degraded because the sample has a refractive index (RI) much higher than its surrounding medium in general. It is analyzed that the focal plane of the imaging system is segregated from the imaging plane of the coherence-gated system due to the RI mismatch. This image-blurring phenomenon is experimentally confirmed by imaging the chrome pattern of a resolution test target through its glass substrate in water. Moreover, we demonstrate that the blurred image can be appreciably corrected by using the numerical correction process based on the Fresnel-Kirchhoff diffraction theory. The proposed correction method is applied to enhance the image of a human hair, which permits the distinct identification of the melanin granules inside the cortex layer of the hair shaft.

Compact LED-based full-field optical coherence microscopy for high-resolution high-speed in vivo imaging

NASA Astrophysics Data System (ADS)

Ogien, Jonas; Dubois, Arnaud

2017-02-01

This work reports on a compact full-field optical coherence microscopy (FF-OCM) setup specifically designed to meet the needs for in vivo imaging, illuminated by a high-brightness broadband light emitting diode (LED). Broadband LEDs have spectra potentially large enough to provide imaging spatial resolutions similar to those reached using conventional halogen lamps, but their radiance can be much higher, which leads to high speed acquisition and makes in vivo imaging possible. We introduce a FF-OCM setup using a 2.3 W broadband LED, with an interferometer designed to be as compact as possible in order to provide the basis for a portable system that will make it possible to fully benefit from the capacity for in vivo imaging by providing the ability to image any region of interest in real-time. The interferometer part of the compact FF-OCM setup weighs 210 g for a size of 11x11x5 cm3. Using this setup, a sub-micron axial resolution was reached, with a detection sensitivity of 68 dB at an imaging rate of 250 Hz. Due to the high imaging rate, the sensitivity could be improved by accumulation while maintaining an acquisition time short enough for in vivo imaging. It was possible to reach a sensitivity of 75 dB at a 50 Hz imaging rate. High resolution in vivo human skin images were obtained with this setup and compared with images of excised human skin, showing high similarity.

Governing equations for electro-conjugate fluid flow

NASA Astrophysics Data System (ADS)

Hosoda, K.; Takemura, K.; Fukagata, K.; Yokota, S.; Edamura, K.

2013-12-01

An electro-conjugation fluid (ECF) is a kind of dielectric liquid, which generates a powerful flow when high DC voltage is applied with tiny electrodes. This study deals with the derivation of the governing equations for electro-conjugate fluid flow based on the Korteweg-Helmholtz (KH) equation which represents the force in dielectric liquid subjected to high DC voltage. The governing equations consist of the Gauss's law, charge conservation with charge recombination, the KH equation, the continuity equation and the incompressible Navier-Stokes equations. The KH equation consists of coulomb force, dielectric constant gradient force and electrostriction force. The governing equation gives the distribution of electric field, charge density and flow velocity. In this study, direct numerical simulation (DNS) is used in order to get these distribution at arbitrary time. Successive over-relaxation (SOR) method is used in analyzing Gauss's law and constrained interpolation pseudo-particle (CIP) method is used in analyzing charge conservation with charge recombination. The third order Runge-Kutta method and conservative second-order-accurate finite difference method is used in analyzing the Navier-Stokes equations with the KH equation. This study also deals with the measurement of ECF ow generated with a symmetrical pole electrodes pair which are made of 0.3 mm diameter piano wire. Working fluid is FF-1EHA2 which is an ECF family. The flow is observed from the both electrodes, i.e., the flow collides in between the electrodes. The governing equation successfully calculates mean flow velocity in between the collector pole electrode and the colliding region by the numerical simulation.

Field Study on the formation and emission characteristics of PM2.5 in coal fired power plant unit

NASA Astrophysics Data System (ADS)

Xia, Yongjun; Huang, Guohui; Zhu, Yunpeng; Wang, Qian

2018-05-01

Particulate matter(PM) measurements were performed at the inlet and outlet of Fabric filter(FF) and the outlet of limestone-gypsum wet flue gas desulfurization (WFGD) tower at a 220MW pulverized coal fired power plant unit, and the PM formation characteristics, the performance characteristics of FF and the influence of WFGD to PM emission were discussed. The results showed that PM were of bimodal size distribution. The concentration of PMs larger than 2.5μm reduced in the WFGD while PMs less than 2.5μm particularly the PM diameter around 0.5μm increased due to the ultrafine PM aggregation as well as new PM formation from gypsum slurry entrainment.

Effects of rare earth oxide additive on surface and tribological properties of polyimide composites

NASA Astrophysics Data System (ADS)

Pan, Zihe; Wang, Tianchang; Chen, Li; Idziak, Stefan; Huang, Zhaohui; Zhao, Boxin

2017-09-01

Rare earth oxide La2O3 microparticles-reinforced polyimide (PI) composites (La-PI-Cs) were fabricated, aiming to improve the tribological property of PI. Surface roughness, surface composition, bulk structure, friction force (Ff) and coefficient of friction (COF) at macro/micro preload, and anti-wear performances of La-PI-Cs were studied and compared with neat PI. With La2O3 microparticles, La-PI-Cs showed larger surface roughness, lower surface energy, and higher hydrophobicity than neat PI, and displayed beneficial layered structure different from the compact structure of PI. Owing to these advantages, La-PI-Cs were found to show a 70% reduction in Ff and COF, and a 30% reduction in wear rate, indicating significantly lowered friction and enhanced anti-wear properties after adding La2O3 microparticles. Our research findings demonstrated an easy and low cost method to fabricate polymer composites with low friction and high wear resistance, and help meet the demanding of polymer composites with high tribological performances in broaden applications.

Molecular Mechanisms in the shock induced decomposition of FOX-7

NASA Astrophysics Data System (ADS)

Mishra, Ankit; Tiwari, Subodh C.; Nakano, Aiichiro; Vashishta, Priya; Kalia, Rajiv; CACS Team

Experimental and first principle computational studies on FOX 7 have either involved a very small system consisting of a few atoms or they did not take into account the decomposition mechanisms under extreme conditions of temperature and pressure. We have performed a large-scale reactive MD simulation using ReaxFF-lg force field to study the shock decomposition of FOX 7. The chemical composition of the principal decomposition products correlates well with experimental observations. Furthermore, we observed that the production of N2 and H2O was inter molecular in nature and was through different chemical pathways. Moreover, the production of CO and CO2 was delayed due to production of large stable C,O atoms cluster. These critical insights into the initial processes involved in the shock induced decomposition of FOX-7 will greatly help in understanding the factors playing an important role in the insensitiveness of this high energy material. This research is supported by AFOSR Award No. FA9550-16-1-0042.

Reactive molecular dynamics simulation of solid nitromethane impact on (010) surfaces induced and nonimpact thermal decomposition.

PubMed

Guo, Feng; Cheng, Xin-lu; Zhang, Hong

2012-04-12

Which is the first step in the decomposition process of nitromethane is a controversial issue, proton dissociation or C-N bond scission. We applied reactive force field (ReaxFF) molecular dynamics to probe the initial decomposition mechanisms of nitromethane. By comparing the impact on (010) surfaces and without impact (only heating) for nitromethane simulations, we found that proton dissociation is the first step of the pyrolysis of nitromethane, and the C-N bond decomposes in the same time scale as in impact simulations, but in the nonimpact simulation, C-N bond dissociation takes place at a later time. At the end of these simulations, a large number of clusters are formed. By analyzing the trajectories, we discussed the role of the hydrogen bond in the initial process of nitromethane decompositions, the intermediates observed in the early time of the simulations, and the formation of clusters that consisted of C-N-C-N chain/ring structures.

Effects of oxidation on the plasmonic properties of aluminum nanoclusters.

PubMed

Douglas-Gallardo, Oscar A; Soldano, Germán J; Mariscal, Marcelo M; Sánchez, Cristián Gabriel

2017-11-16

The scouting of alternative plasmonic materials able to enhance and extend the optical properties of noble metal nanostructures is on the rise. Aluminum is endowed with a set of interesting properties which turn it into an attractive plasmonic material. Here we present the optical and electronic features of different aluminum nanostructures stemming from a multilevel computational study. Molecular Dynamics (MD) simulations using a reactive force field (ReaxFF), carefully validated with Density Functional Theory (DFT), were employed to mimic the oxidation of icosahedral aluminum nanoclusters. Resulting structures with different oxidation degrees were then studied through the Time-Dependent Density Functional Tight Binding (TD-DFTB) method. A similar approach was used in aluminum nanoclusters with a disordered structure to study how the loss of crystallinity affects the optical properties. To the best of our knowledge, this is the first report that addresses this issue from the fully atomistic time-dependent approach by means of two different and powerful simulation tools able to describe quantum and physicochemical properties associated with nanostructured particles.

Co-pyrolysis mechanism of seaweed polysaccharides and cellulose based on macroscopic experiments and molecular simulations.

PubMed

Wang, Shuang; Xia, Zhen; Hu, Yamin; He, Zhixia; Uzoejinwa, Benjamin Bernard; Wang, Qian; Cao, Bin; Xu, Shanna

2017-03-01

Co-pyrolysis conversion of seaweed (Enteromorpha clathrat and Sargassum fusiforme) polysaccharides and cellulose has been investigated. From the Py-GC/MS results, Enteromorpha clathrata (EN) polysaccharides pyrolysis mainly forms furans; while the products of Sargassum fusiforme (SA) polysaccharides pyrolysis are mainly acid esters. The formation mechanisms of H 2 O, CO 2 , and SO 2 during the pyrolysis of seaweed polysaccharides were analyzed using the thermogravimetric-mass spectrometry. Meanwhile the pyrolysis of seaweed polysaccharide based on the Amber and the ReaxFF force fields, has also been proposed and simulated respectively. The simulation results coincided with the experimental results. During the fast pyrolysis, strong synergistic effects among cellulose and seaweed polysaccharide molecules have been simulated. By comparing the experimental and simulation value, it has been found that co-pyrolysis could increase the number of molecular fragments, increase the pyrolysis conversion rate, and increase gas production rate at the middle temperature range. Copyright © 2016 Elsevier Ltd. All rights reserved.

Shape effects on the electronic structure and the optical gain of InAsN/GaAs nanostructures: From a quantum lens to a quantum ring

NASA Astrophysics Data System (ADS)

Chen, J.; Fan, W. J.; Xu, Q.; Zhang, X. W.; Li, S. S.; Xia, J. B.

2012-10-01

The electronic structures of self-assembled InAs1-xNx/GaAs nanostructures from quantum lens to quantum rings (QRs) are calculated using the 10-band k.p method and the valence force field (VFF) method. With the variation of shape of the nanostructure and nitrogen (N) content, it shows that the N and the strains can significantly affect the energy levels especially the conduction band because the N resonant state has repulsion interaction with the conduction band due to the band anticrossing (BAC). The structures with N and greater height have smaller transition energy, and the structures with N have greater optical gain due to its overwhelming greater value of factor f+f-1. After analyzing the shape effect, we suggested that the nanostructures with volcano shape are preferred because the maximum optical gain occurs for quantum volcano. With our simulation result, researchers could select quantum dots (QDs) structures to design laser with better performance.

Effect of florfenicol on performance and microbial community of a sequencing batch biofilm reactor treating mariculture wastewater.

PubMed

Gao, Feng; Li, Zhiwei; Chang, Qingbo; Gao, Mengchun; She, Zonglian; Wu, Juan; Jin, Chunji; Zheng, Dong; Guo, Liang; Zhao, Yangguo; Wang, Sen

2018-02-01

The effects of florfenicol (FF) on the performance, microbial activity and microbial community of a sequencing batch biofilm reactor (SBBR) were evaluated in treating mariculture wastewater. The chemical oxygen demand (COD) and nitrogen removal were inhibited at high FF concentrations. The specific oxygen utilization rate (SOUR), specific ammonium oxidation rate (SAOR), specific nitrite oxidation rate (SNOR) and specific nitrate reduction rate (SNRR) were decreased with an increase in the FF concentration from 0 to 35 mg/L. The chemical compositions of loosely bound extracellular polymeric substances (LB-EPS) and tightly bound EPS (TB-EPS) could be affected with an increase in the FF concentration. The high-throughput sequencing indicated some obvious variations in the microbial community at different FF concentrations. The relative abundance of Nitrosomonas and Nitrospira showed a decreasing tendency with an increase in the FF concentration, suggesting that FF could affect the nitrification process of SBBR. Some genera capable of reducing nitrate to nitrogen gas could be inhibited by the addition of FF in the influent, such as Azospirillum and Hyphomicrobium.

Optimization of leaf margins for lung stereotactic body radiotherapy using a flattening filter-free beam

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

Wakai, Nobuhide, E-mail: wakai@naramed-u.ac.jp; Sumida, Iori; Otani, Yuki

Purpose: The authors sought to determine the optimal collimator leaf margins which minimize normal tissue dose while achieving high conformity and to evaluate differences between the use of a flattening filter-free (FFF) beam and a flattening-filtered (FF) beam. Methods: Sixteen lung cancer patients scheduled for stereotactic body radiotherapy underwent treatment planning for a 7 MV FFF and a 6 MV FF beams to the planning target volume (PTV) with a range of leaf margins (−3 to 3 mm). Forty grays per four fractions were prescribed as a PTV D95. For PTV, the heterogeneity index (HI), conformity index, modified gradient indexmore » (GI), defined as the 50% isodose volume divided by target volume, maximum dose (Dmax), and mean dose (Dmean) were calculated. Mean lung dose (MLD), V20 Gy, and V5 Gy for the lung (defined as the volumes of lung receiving at least 20 and 5 Gy), mean heart dose, and Dmax to the spinal cord were measured as doses to organs at risk (OARs). Paired t-tests were used for statistical analysis. Results: HI was inversely related to changes in leaf margin. Conformity index and modified GI initially decreased as leaf margin width increased. After reaching a minimum, the two values then increased as leaf margin increased (“V” shape). The optimal leaf margins for conformity index and modified GI were −1.1 ± 0.3 mm (mean ± 1 SD) and −0.2 ± 0.9 mm, respectively, for 7 MV FFF compared to −1.0 ± 0.4 and −0.3 ± 0.9 mm, respectively, for 6 MV FF. Dmax and Dmean for 7 MV FFF were higher than those for 6 MV FF by 3.6% and 1.7%, respectively. There was a positive correlation between the ratios of HI, Dmax, and Dmean for 7 MV FFF to those for 6 MV FF and PTV size (R = 0.767, 0.809, and 0.643, respectively). The differences in MLD, V20 Gy, and V5 Gy for lung between FFF and FF beams were negligible. The optimal leaf margins for MLD, V20 Gy, and V5 Gy for lung were −0.9 ± 0.6, −1.1 ± 0.8, and −2.1 ± 1.2 mm, respectively, for 7 MV FFF compared to −0.9 ± 0.6, −1.1 ± 0.8, and −2.2 ± 1.3 mm, respectively, for 6 MV FF. With the heart inside the radiation field, the mean heart dose showed a V-shaped relationship with leaf margins. The optimal leaf margins were −1.0 ± 0.6 mm for both beams. Dmax to the spinal cord showed no clear trend for changes in leaf margin. Conclusions: The differences in doses to OARs between FFF and FF beams were negligible. Conformity index, modified GI, MLD, lung V20 Gy, lung V5 Gy, and mean heart dose showed a V-shaped relationship with leaf margins. There were no significant differences in optimal leaf margins to minimize these parameters between both FFF and FF beams. The authors’ results suggest that a leaf margin of −1 mm achieves high conformity and minimizes doses to OARs for both FFF and FF beams.« less

Quantitation of fetal DNA fraction in maternal plasma using circulating single molecule amplification and re-sequencing technology (cSMART).

PubMed

Song, Yijun; Zhou, Xiya; Huang, Saiqiong; Li, Xiaohong; Qi, Qingwei; Jiang, Yulin; Liu, Yiqian; Ma, Chengcheng; Li, Zhifeng; Xu, Mengnan; Cram, David S; Liu, Juntao

2016-05-01

Calculation of the fetal DNA fraction (FF) is important for reliable and accurate noninvasive prenatal testing (NIPT) for fetal genetic abnormalities. The aim of the study was to develop and validate a novel method for FF determination. FF was calculated using the chromosome Y (ChrY) sequence read assay and by circulating single molecule amplification and re-sequencing technology of 76 autosomal SNPs. By Pearson correlation for FF (4.73-22.11%) in 33 male pregnancy samples, the R(2) co-efficient for the 76-SNP versus the ChrY assay was 0.9572 (p<0.001). In addition, the co-efficient of variation (CV) of FF measurement by the 76-SNP assay was low (0.15-0.35). As a control, the FF measurement for four non-pregnant plasma samples was virtually zero. In prospective longitudinal studies of 14 women with normal pregnancies, FF generally increased with gestational age. However, in eight women (71%) there was a significant decrease in FF between the first trimester (11-13 weeks) and the second trimester (15-19 weeks), and this was attributable to significant maternal weight gain. The novel 76-SNP cSMART assay has the precision to accurately measure FF in all pregnancies at a detection threshold of 5%. Based on FF trends in individual pregnancies, our results suggest that the end of the first trimester may be a more optimal window for performing NIPT. Copyright © 2016 Elsevier B.V. All rights reserved.

Modulation of fatty acid metabolism is involved in the alleviation of isoproterenol-induced rat heart failure by fenofibrate

PubMed Central

LI, PING; LUO, SHIKE; PAN, CHUNJI; CHENG, XIAOSHU

2015-01-01

Heart failure is a disease predominantly caused by an energy metabolic disorder in cardiomyocytes. The present study investigated the inhibitory effects of fenofibrate (FF) on isoproterenol (ISO)-induced hear failure in rats, and examined the underlying mechanisms. The rats were divided into CON, ISO (HF model), FF and FF+ISO (HF animals pretreated with FF) groups. The cardiac structure and function of the rats were assessed, and contents of free fatty acids and glucose metabolic products were determined. In addition, myocardial cells were isolated from neonatal rats and used in vitro to investigate the mechanisms by which FF relieves heart failure. Western blot analysis was performed to quantify the expression levels of peroxisome proliferator-activated receptor (PPAR)α and uncoupling protein 2 (UCP2). FF effectively alleviated the ISO-induced cardiac structural damage, functional decline, and fatty acid and carbohydrate metabolic abnormalities. Compared with the ISO group, the serum levels of brain natriuretic peptide (BNP), free fatty acids, lactic acid and pyruvic acid were decreased in the FF animals. In the cultured myocardial cells, lactic acid and pyruvic acid contents were lower in the supernatants obtained from the FF animals, with lower levels of mitochondrial ROS production and cell necrosis, compared with the ISO group, whereas PPARα upregulation and UCP2 downregulation occurred in the FF+ISO group. The results demonstrated that FF efficiently alleviated heart failure in the ISO-induced rat model, possibly via promoting fatty acid oxidation. PMID:26497978

The Influence of Herbs, Spices, and Regular Sausage and Chicken Consumption on Liking of Reduced Fat Breakfast and Lunch Items

PubMed Central

Polsky, Sarit; Beck, Jimikaye; Stark, Rebecca A.; Pan, Zhaoxing; Hill, James O.; Peters, John C.

2014-01-01

Adults often consume more fat than is recommended. We examined factors that may improve liking of reduced fat and reduced saturated fat foods, including the addition of herbs and spices and habitual consumption of different high-fat and low-fat food items. We randomized adults to taste three different conditions: full fat (FF), reduced fat with no added spice (RF), and reduced fat plus spice (RFS). Subjects rated their liking of French toast, sausage and the overall meal, or chicken, vegetables, pasta and the overall meal on a nine-point hedonic Likert scale. Overall liking of the RF breakfast and lunch meals were lower than the FF and RFS versions (Breakfast: 6.50 RF vs. 6.84 FF, p=0.0061; 6.50 RF vs. 6.82 RFS, p=0.0030; Lunch: 6.35 RF vs. 6.94 FF, p<0.0001; 6.35 RF vs. 6.71 RFS, p=0.0061). RFS and FF breakfast and lunch meals, French toast, chicken and vegetable likings were similar. FF and RFS conditions were liked more than RF for the breakfast and lunch meals, French toast, chicken entrée and vegetables. Liking of all three sausage conditions were similar. FF Pasta was liked more than RFS and RF (7.47 FF vs. 6.42 RFS, p<0.0001; 7.47 FF vs. 6.47 RF, p<0.0001). Habitual consumption of roasted chicken was associated with reduced liking of FF chicken (r = −0.23, p=0.004) and FF pasta (r = −0.23, p=0.005). Herbs and spices may be useful for improving the liking of lower-fat foods and helping Americans maintain a diet consistent with the US Dietary Guidelines. PMID:25219391

Common genetic architecture underlying young children's food fussiness and liking for vegetables and fruit.

PubMed

Fildes, Alison; van Jaarsveld, Cornelia H M; Cooke, Lucy; Wardle, Jane; Llewellyn, Clare H

2016-04-01

Food fussiness (FF) is common in early childhood and is often associated with the rejection of nutrient-dense foods such as vegetables and fruit. FF and liking for vegetables and fruit are likely all heritable phenotypes; the genetic influence underlying FF may explain the observed genetic influence on liking for vegetables and fruit. Twin analyses make it possible to get a broad-based estimate of the extent of the shared genetic influence that underlies these traits. We quantified the extent of the shared genetic influence that underlies FF and liking for vegetables and fruit in early childhood with the use of a twin design. Data were from the Gemini cohort, which is a population-based sample of twins born in England and Wales in 2007. Parents of 3-y-old twins (n= 1330 pairs) completed questionnaire measures of their children's food preferences (liking for vegetables and fruit) and the FF scale from the Children's Eating Behavior Questionnaire. Multivariate quantitative genetic modeling was used to estimate common genetic influences that underlie FF and liking for vegetables and fruit. Genetic correlations were significant and moderate to large in size between FF and liking for both vegetables (-0.65) and fruit (-0.43), which indicated that a substantial proportion of the genes that influence FF also influence liking. Common genes that underlie FF and liking for vegetables and fruit largely explained the observed phenotypic correlations between them (68-70%). FF and liking for fruit and vegetables in young children share a large proportion of common genetic factors. The genetic influence on FF may determine why fussy children typically reject fruit and vegetables.

Characterizing Uncertainties in Atmospheric Inversions of Fossil Fuel CO2 Emissions in California

NASA Astrophysics Data System (ADS)

Brophy, K. J.; Graven, H. D.; Manning, A.; Arnold, T.; Fischer, M. L.; Jeong, S.; Cui, X.; Parazoo, N.

2016-12-01

In 2006 California passed a law requiring greenhouse gas emissions be reduced to 1990 levels by 2020, equivalent to a 20% reduction over 2006-2020. Assessing compliance with greenhouse gas mitigation policies requires accurate determination of emissions, particularly for CO2 emitted by fossil fuel combustion (ffCO2). We found differences in inventory-based ffCO2 flux estimates for California total emissions of 11% (standard deviation relative to the mean), and even larger differences on some smaller sub-state levels. Top-down studies may be useful for validating ffCO2 flux estimates, but top-down studies of CO2 typically focus on biospheric CO2 fluxes and they are not yet well-developed for ffCO2. Implementing top-down studies of ffCO2 requires observations of a fossil fuel combustion tracer such as 14C to distinguish ffCO2 from biospheric CO2. However, even if a large number of 14C observations are available, multiple other sources of uncertainty will contribute to the uncertainty in posterior ffCO2 flux estimates. With a Bayesian inverse modelling approach, we use simulated atmospheric observations of ffCO2 at a network of 11 tower sites across California in an observing system simulation experiment to investigate uncertainties. We use four different prior ffCO2 flux estimates, two different atmospheric transport models, different types of spatial aggregation, and different assumptions for observational and model transport uncertainties to investigate contributions to posterior ffCO2 emission uncertainties. We show how various sources of uncertainty compare and which uncertainties are likely to limit top-down estimation of ffCO2 fluxes in California.

Association between lysyl oxidase and fibrotic focus in relation with inflammation in breast cancer

PubMed Central

Jeong, Young Ju; Park, Sung Hwan; Mun, Sung Hee; Kwak, Sang Gyu; Lee, Sun-Jae; Oh, Hoon Kyu

2018-01-01

We hypothesized that lysyl oxidase (LOX) contributes to the formation of fibrotic focus (FF) in association with inflammation and serves a significant role in breast carcinogenesis. In the present study, the association between the expression of LOX family members and FF with regards to with inflammation was analyzed, and the prognostic significance of LOX and FF in breast cancer was investigated. Immunohistochemical staining for LOX, LOX-like protein (LOXL) 1, LOXL2 and LOXL3 was performed in primary breast cancer tissues. The status of FF within the tumor was assessed, including size and grade. Levels of inflammatory markers, intratumoral and peritumoral lymphocyte infiltration were also evaluated. The clinicopathological characteristics were evaluated from the medical records of patients. In the present study, the expression of LOX family members was not associated with the presence of FF. FF was identified to be associated with intratumoral and peritumoral inflammation, tumor stage, larger tumor size, lymph node metastasis, high histologic grade, and p53 expression. LOX and LOXL3 were associated with intratumoral, and peritumoral inflammation. Furthermore, LOXL1 was associated with intratumoral inflammation and interleukin-4. In addition, LOX was associated with cluster of differentiation 8+ T cells. LOXL3 was associated with expression of ER and PR, and molecular subtype. In the survival analysis, overall survival time was statistically significantly longer in the FF-negative compared with that in the FF-positive group. In conclusion, it was demonstrated that FF and the expression of LOX family members were associated with inflammation in breast cancer. FF was associated with poor prognostic markers of breast cancer. Further studies are required to clarify the mechanisms underlying the association between the LOX family, FF and inflammation in breast cancer. PMID:29434955

Ovarian adipocytokines are associated with early in vitro human embryo development independent of the action of ovarian insulin.

PubMed

Li, Liyun; Ferin, Michel; Sauer, Mark V; Lobo, Roger A

2012-12-01

We aimed to characterize the association between levels of serum and follicular fluid (FF) adipocytokines, reflected by the leptin to adiponectin ratio (L:A ratio), and oocyte quality and in vitro embryo development in women undergoing assisted reproduction. We also aimed to assess whether follicular hormonal pathways mediate this interaction. We prospectively collected FF from up to four individual preovulatory follicles (n = 76) and fasting sera from women (n = 31) without endocrinopathies undergoing in vitro fertilization (IVF) at a university-based center for assisted reproduction. Leptin, total adiponectin, insulin, insulin-like growth factor 1 (IGF-1), and ovarian steriods were measured using enzyme immunoassay. Oocyte maturity, fertilization, and embryo development were assessed. FF leptin was similar to serum levels while FF adiponectin was lower. FF leptin (27.10 ± 4.05 ng/mL) and the L:A ratio (11.48E-3 ± 2.57E-3) were related to FF insulin (R (2) = 0.370 and 0.419, p < 0.001) but not to ovarian steroids or IGF-1, whereas FF adiponectin ( 4.22 ± 0.52 ug/mL) correlated only with leptin (R (2) = -0.138, p = 0.001). Oocytes from a high FF L:A ratio environment were 81 % (RR 1.81 [95%CI 0.97-3.37]) more likely to undergo successful cleavage and 117 % (RR 2.17 [95 % CI 1.06-4.44]) more likely to obtain viable cleavage morphology compared to a low FF L:A ratio environment, even when adjusted for FF insulin, an independent predictor of cleavage. Certain adipocytokines, particularly the L:A ratio in the FF of the preovulatory follicle, are related to successful in vitro embryo development. This action may be independent of FF insulin.

Clinical usefulness of the mDIXON Quant the method for estimation of the salivary gland fat fraction: comparison with MR spectroscopy.

PubMed

Kise, Yoshitaka; Chikui, Toru; Yamashita, Yasuo; Kobayashi, Koji; Yoshiura, Kazunori

2017-08-01

To estimate the fat fraction (FF) in the salivary glands (SGs) by the mDIXON method and the 1 H-MR spectroscopy (MRS) method, and to compare the results. 16 healthy volunteers were enrolled. mDIXON Quant and MRS (point-resolved spectroscopy: PRESS) with a single TE were employed to measure the FF in the parotid gland (PG) and submandibular gland (SMG). Multiple TEs were applied in 10 volunteers to correct for T 2 decay. In addition, we assumed that the 1.3 ppm peak accounted for 60% of the total fat peak and estimated the FF (MRS all) as a gold standard. On mDIXON Quant images, volumes of interest were set on the bilateral SGs and we obtained the FF (mDIXON) of each volume of interest. There was a strong correlation between the results of the mDIXON Quant method and the MRS (single TE) method (R 2 = 0.960, slope = 0.900). Using PRESS with multiple TEs, there was also a strong correlation between FF (mDIXON) and FF (MRS all) (R 2 = 0.963, slope = 1.18). FF (MRS all) was 24.9±12.7% in the PG and 4.5±3.0% in the SMG, while FF (mDIXON) was 29.4±16.2% in the PG and 6.4±4.7% in the SMG. There were no significant differences between the two methods, but the Bland-Altman plot showed that FF (mDIXON) was slightly larger than FF (MRS all) for small FF areas. The mDIXON Quant method could be clinically useful for evaluating the FF of SGs, but the absolute values need careful interpretation. Advance in knowledge: This study suggested the potential clinical usefulness of the mDIXON Quant method for the SGs.

Atmospheric Fossil Fuel CO2 Tracing By 14C In Some Chinese Cities

NASA Astrophysics Data System (ADS)

Zhou, W.; Niu, Z.; Zhu, Y., Sr.

2016-12-01

CO2 plays an important role in global climate as a primary greenhouse gas in the atmosphere. Moreover, it has been shown that more than 70% of global fossil fuel CO2 (CO2ff) emissions are concentrated in urban areas (Duren and Miller, 2012). Our study focuses on atmospheric CO2ff concentrations in 15 Chinese cities using accelerator mass spectrometer (AMS) to measure 14C. Our objectives are: (1) to document atmospheric CO2ff concentrations in a variety of urban environments, (2) to differentiate the spatial-temporal variations in CO2ff among these cities, and (3) to ascertain the factors that control the observed variations. For about two years (winter 2014 to winter 2016), the CO2ff concentrations we observed from all sites varied from 5.1±4.5 ppm to 65.8±39.0 ppm. We observed that inland cities display much higher CO2ff concentrations and overall temporal variations than coastal cities in winter, and that northern cities have higher CO2ff concentrations than those of southern cities in winter. For inland cities relatively high CO2ff values are observed in winter and low values in summer; while seasonal variations are not distinct in the coastal cities. No significant (p > 0.05) differences in CO2ff values are found between weekdays and weekends as was shown previously in Xi'an (Zhou et al., 2014). Diurnal CO2ff variations are plainly evident, with high values between midnight and 4:00 am, and during morning and afternoon rush hours (Niu et al., 2016). The high CO2ff concentrations in northern inland cities in winter results mainly from the substantial consumption of fossil fuels for heating. The high CO2ff concentrations seen in diurnal measurements result mainly from variations in atmospheric dispersion, and from vehicle emissions related to traffic flows. The inter-annual variations in CO2ff in cities could provide a useful reference for local governments to develop policy around the effect of energy conservation and emission reduction strategies.

Interactions of pharmacokinetic profile of different parts from Ginkgo biloba extract in rats.

PubMed

Guan, HanLiang; Qian, Dawei; Ren, Hao; Zhang, Wei; Nie, Hui; Shang, Erxing; Duan, Jinao

2014-08-08

Extracts from Ginkgo biloba L. leaves confer their therapeutic effects through the synergistic actions of flavonoid and terpenoid components, but some non-flavonoid and non-terpenoid components also exist in this extract. In the study of this paper, an investigation was carried out to compare the pharmacokinetic parameters of fourteen compounds to clarify the influences of non-flavonoid and non-terpenoid fraction (WEF) on the pharmacokinetics profile of the flavonoid fraction (FF) and the terpene lactone fraction (TLF) from Ginkgo biloba extracts. A selective and sensitive UPLC-MS/MS method was established to determine the plasma concentrations of the fourteen compounds to compare the pharmacokinetic parameters after orally administration of FF, TLF, FF-WEF, FF-TLF, TLF-WEF and FF-TLF-WEF with approximately the same dose. At different time points, the concentration of rutin (1), isoquercitrin (2), quercetin 3-O-[4-O-(-β-D-glucosyl)-α-L-rhamnoside] (3), ginkgolide C (4), bilobalide (5), quercitrin (6), ginkgolide B (7), ginkgolide A (8), luteolin (9), quercetin (10), apigenin (11), kaempferol (12), isorhamnetin (13), genkwanin (14) in rat plasma were determined and main pharmacokinetic parameters including T1/2, Tmax, Cmax and AUC were calculated using the DAS 3.2 software package. The statistical analysis was performed using the Student׳s t-test with P<0.05 as the level of significance. FF and WEF had no effect on the pharmacokinetic behaviors and parameters of the four terpene lactones, but the pharmacokinetic profiles and parameters of flavonoids changed while co-administered with non-flavonoid components. It was found that Cmax and AUC of six flavonoid aglycones in group FF-WEF, FF-TLF and FF-TLF-WEF had varying degrees of reduction in comparison with group FF, especially in group FF-TLF-WEF. On the contrary, the values of Cmax, Tmax and AUC of four flavonoid glycosides in group FF-TLF-WEF were significantly increased compared with those in group FF. These results indicate that non-flavonoid components in Ginkgo biloba extracts could increase the absorption and improve the bioavailability of flavonoid glycosides but decrease the absorption and reduce the bioavailability of flavonoid aglycones. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Complex CatSper-dependent and independent [Ca2+]i signalling in human spermatozoa induced by follicular fluid

PubMed Central

Brown, Sean G.; Costello, Sarah; Kelly, Mark C.; Ramalingam, Mythili; Drew, Ellen; Publicover, Stephen J.; Barratt, Christopher L.R.; Da Silva, Sarah Martins

2017-01-01

Abstract STUDY QUESTION Does progesterone in human follicular fluid (hFF) activate CatSper and do other components of hFF modulate this effect and/or contribute separately to hFF-induced Ca2+ signaling? SUMMARY ANSWER hFF potently stimulates CatSper and increases [Ca2+]i, primarily due to high concentrations of progesterone, however, other components of hFF also contribute to [Ca2+]i signaling, including modulation of CatSper channel activity and inhibition of [Ca2+]i oscillations. WHAT IS KNOWN ALREADY CatSper, the principal Ca2+ channel in spermatozoa, is progesterone-sensitive and essential for fertility. Both hFF and progesterone, which is present in hFF, influence sperm function and increase their [Ca2+]i. STUDY DESIGN, SIZE, DURATION This basic medical research study used semen samples from >40 donors and hFF from >50 patients who were undergoing surgical oocyte retrieval for IVF/ICSI. PARTICIPANTS/MATERIALS, SETTING, METHODS Semen donors and patients were recruited in accordance with local ethics approval (13/ES/0091) from the East of Scotland Research Ethics Service REC1. Activities of CatSper and KSper were assessed by patch clamp electrophysiology. Sperm [Ca2+]i responses were examined in sperm populations and single cells. Computer-assisted sperm analysis (CASA) parameters and penetration into viscous media were used to assess functional effects. MAIN RESULTS AND THE ROLE OF CHANCE hFF and progesterone significantly potentiated CatSper currents. Under quasi-physiological conditions, hFF (up to 50%) failed to alter membrane K+ conductance or current reversal potential. hFF and progesterone (at an equivalent concentration) stimulated similar biphasic [Ca2+]i signals both in sperm populations and single cells. At a high hFF concentration (10%), the sustained (plateau) component of the [Ca2+]i signal was consistently greater than that induced by progesterone alone. In single cell recordings, 1% hFF-induced [Ca2+]i oscillations similarly to progesterone but with 10% hFF generation of [Ca2+]i oscillations was suppressed. After treatment to ‘strip’ lipid-derived mediators, hFF failed to significantly stimulate CatSper currents but induced small [Ca2+]i responses that were greater than those induced by the equivalent concentration of progesterone after stripping. Similar [Ca2+]i responses were observed when sperm pretreated with 3 μM progesterone (to desensitize progesterone responses) were stimulated with hFF or stripped hFF. hFF stimulated viscous media penetration and was more effective than the equivalent does of progesterone. LARGE SCALE DATA N/A. LIMITATIONS, REASONS FOR CAUTION This was an in vitro study. Caution must be taken when extrapolating these results in vivo. WIDER IMPLICATIONS OF THE FINDINGS This study directly demonstrates that hFF activates CatSper and establishes that the biologically important effects of hFF reflect, at least in part, action on this channel, primarily via progesterone. However, these experiments also demonstrate that other components of hFF both contribute to the [Ca2+]i signal and modulate the activation of CatSper. Simple in vitro experiments performed out of the context of the complex in vivo environment need to be interpreted with caution. STUDY FUNDING/COMPETING INTEREST(S) Funding was provided by MRC (MR/K013343/1, MR/012492/1) (S.G.B., S.J.P., C.L.R.B.) and University of Abertay (sabbatical for S.G.B.). Additional funding was provided by TENOVUS SCOTLAND (S.M.D.S.), Chief Scientist Office/NHS Research Scotland (S.M.D.S). C.L.R.B. is EIC of MHR and Chair of the WHO ESG on Diagnosis of Male infertility. The remaining authors have no conlicts of interest. PMID:28938737

A sparse reconstruction method for the estimation of multiresolution emission fields via atmospheric inversion

DOE PAGES

Ray, J.; Lee, J.; Yadav, V.; ...

2014-08-20

We present a sparse reconstruction scheme that can also be used to ensure non-negativity when fitting wavelet-based random field models to limited observations in non-rectangular geometries. The method is relevant when multiresolution fields are estimated using linear inverse problems. Examples include the estimation of emission fields for many anthropogenic pollutants using atmospheric inversion or hydraulic conductivity in aquifers from flow measurements. The scheme is based on three new developments. Firstly, we extend an existing sparse reconstruction method, Stagewise Orthogonal Matching Pursuit (StOMP), to incorporate prior information on the target field. Secondly, we develop an iterative method that uses StOMP tomore » impose non-negativity on the estimated field. Finally, we devise a method, based on compressive sensing, to limit the estimated field within an irregularly shaped domain. We demonstrate the method on the estimation of fossil-fuel CO 2 (ffCO 2) emissions in the lower 48 states of the US. The application uses a recently developed multiresolution random field model and synthetic observations of ffCO 2 concentrations from a limited set of measurement sites. We find that our method for limiting the estimated field within an irregularly shaped region is about a factor of 10 faster than conventional approaches. It also reduces the overall computational cost by a factor of two. Further, the sparse reconstruction scheme imposes non-negativity without introducing strong nonlinearities, such as those introduced by employing log-transformed fields, and thus reaps the benefits of simplicity and computational speed that are characteristic of linear inverse problems.« less

Base Structure Annex to Manpower Requirements Report for FY 1985.

DTIC Science & Technology

1984-01-01

A 04 .I S DEPARTMENT OF DEFENSE BASE STRUCTURE ANNEX Toct 00 Manpower Requirements Report for FY 1985 JANUARY 1984 DTIC ELECTE FEB 2 7 4 >~fB OFFICE...JANUARY 1984 DTIC S ELECTE FEB27 1984 Prepared by Office of the Assistant Secretary of Defense (Manpower, Installations and Logistics) D&MM_ ffA-1ENo...individuals - Intelligence and Camunications 604 Individuals - Airlift/Sealift Forces 605 tndividua~ s - Guard and Reserves 609 Individ&ls - Training

Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

NASA Technical Reports Server (NTRS)

Jensen, Benjamin D.; Wise, Kristopher E.; Odegard, Gregory M.

2016-01-01

Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

Shock initiated thermal and chemical responses of HMX crystal from ReaxFF molecular dynamics simulation.

PubMed

Zhou, Tingting; Song, Huajie; Liu, Yi; Huang, Fenglei

2014-07-21

To gain an atomistic-level understanding of the thermal and chemical responses of condensed energetic materials under thermal shock, we developed a thermal shock reactive dynamics (TS-RD) computational protocol using molecular dynamics simulation coupled with ReaxFF force field. β-Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX) was selected as a a target explosive due to its wide usage in the military and industry. The results show that a thermal shock initiated by a large temperature gradient between the "hot" region and the "cold" region results in thermal expansion of the particles and induces a thermal-mechanical wave propagating back and forth in the system with an averaged velocity of 3.32 km s(-1). Heat propagating along the direction of thermal shock leads to a temperature increment of the system and thus chemical reaction initiation. Applying a continuum reactive heat conduction model combined with the temperature distribution obtained from the RD simulation, a heat conduction coefficient is derived as 0.80 W m(-1) K(-1). The chemical reaction mechanisms during thermal shock were analyzed, showing that the reaction is triggered by N-NO2 bond breaking followed by HONO elimination and ring fission. The propagation rates of the reaction front and reaction center are obtained to be 0.069 and 0.038 km s(-1), based on the time and spatial distribution of NO2. The pressure effect on the thermal shock was also investigated by employing uniaxial compression before the thermal shock. We find that compression significantly accelerates thermal-mechanical wave propagation and heat conduction, resulting in higher temperature and more excited molecules and thus earlier initiation and faster propagation of chemical reactions.

How to disentangle the Cosmic Web?

NASA Astrophysics Data System (ADS)

Shandarin, Sergei; Medvedev, Mikhail

2015-04-01

The Cosmic Web is a complicated highly-entangled geometrical object formed from remarkably simple - Gaussian - initial conditions. The full complexity of the Web can be fully appreciated in the six-dimensional phase space only, which study is, however, impractical due to numerous reasons. Instead, we suggest to use Lagrangian submanifold, i.e., the mapping x = x(q) , where x and q are three dimensional vectors representing Eulerian and Lagrangian coordinates. Being fully equivalent in dynamical sense to the phase space, it has the advantage of being a single valued and also metric space. In addition, we propose a new computational paradigm for the analysis of substructure of the Cosmic Web in cosmological cold dark matter (CDM) simulations. We introduce a new data-field - the flip-flop field - which carries wealth of information about the history and dynamics of the structure formation in the universe. The flip-flop (FF) field is an ordered data set in Lagrangian space representing the number of sign reversals of an elementary volume of each collisionless fluid element represented by a computational particle in a N-body simulation. This FF-field is effectively a multi-stream counter of each substructure element of the Cosmic Web. We demonstrate that the very rich subst Partially supported by DOE Grant DE-FG02-07ER54940 and NSF Grant AST-1209665.

The evaluation of 3 diets for rearing Hyalella azteca and the influence of diet on acute ammonia toxicity.

PubMed

Kennedy, Lisa M; Watson-Leung, Trudy L; Poirier, David G

2016-10-01

Three Hyalella azteca cultures were reared on different diets since birth, reflecting the recommended diets of various investigators. The 3 diets consisted of fish flakes (FF), a mixture of fish flakes supplemented with the diatom Thalassiosira weissflogii (FF-D), and a mixture of fish flakes supplemented with yeast, cereal grass media, and trout chow (FF-YCT). The 3 diets were evaluated by comparing 20 wk of culturing data, along with the organism's response to standard 96-h toxicity testing with ammonium chloride over a range of pH and temperature. Hyalella azteca fed the FF-D diet had the highest overall survival rate (96.6%, standard deviation [SD] 4.3%) compared to those fed the FF diet (92.0%, SD 12.7%), or the FF-YCT diet (91.1%, SD 14.8%), although difference in survival was not statistically significant. Organisms fed the FF-D diet produced a higher number of young per week per adult (6.1, SD 2.8) than the FF diet (5.1, SD 2.2), or the FF-YCT diet (4.0, SD 1.2), although differences were not statistically significant. Of the diets evaluated, H. azteca reared on the FF-D diet were often significantly more resistant to total and un-ionized ammonia toxicity in acute 96-h testing than those reared on the other 2 diets across the 2 temperatures and 5 pHs tested, suggesting this may be the most optimal diet for this species. Environ Toxicol Chem 2016;35:2416-2424. © 2016 SETAC. © 2016 SETAC.

A methodological study of genome-wide DNA methylation analyses using matched archival formalin-fixed paraffin embedded and fresh frozen breast tumors.

PubMed

Espinal, Allyson C; Wang, Dan; Yan, Li; Liu, Song; Tang, Li; Hu, Qiang; Morrison, Carl D; Ambrosone, Christine B; Higgins, Michael J; Sucheston-Campbell, Lara E

2017-02-28

DNA from archival formalin-fixed and paraffin embedded (FFPE) tissue is an invaluable resource for genome-wide methylation studies although concerns about poor quality may limit its use. In this study, we compared DNA methylation profiles of breast tumors using DNA from fresh-frozen (FF) tissues and three types of matched FFPE samples. For 9/10 patients, correlation and unsupervised clustering analysis revealed that the FF and FFPE samples were consistently correlated with each other and clustered into distinct subgroups. Greater than 84% of the top 100 loci previously shown to differentiate ER+ and ER- tumors in FF tissues were also FFPE DML. Weighted Correlation Gene Network Analyses (WCGNA) grouped the DML loci into 16 modules in FF tissue, with ~85% of the module membership preserved across tissue types. Restored FFPE and matched FF samples were profiled using the Illumina Infinium HumanMethylation450K platform. Methylation levels (β-values) across all loci and the top 100 loci previously shown to differentiate tumors by estrogen receptor status (ER+ or ER-) in a larger FF study, were compared between matched FF and FFPE samples using Pearson's correlation, hierarchical clustering and WCGNA. Positive predictive values and sensitivity levels for detecting differentially methylated loci (DML) in FF samples were calculated in an independent FFPE cohort. FFPE breast tumors samples show lower overall detection of DMLs versus FF, however FFPE and FF DMLs compare favorably. These results support the emerging consensus that the 450K platform can be employed to investigate epigenetics in large sets of archival FFPE tissues.

Fluticasone furoate and vilanterol inhalation powder for the treatment of chronic obstructive pulmonary disease.

PubMed

Matera, Maria Gabriella; Capuano, Annalisa; Cazzola, Mario

2015-02-01

Fluticasone furoate/vilanterol (FF/VI) is a novel inhaled corticosteroid/long-acting β₂-agonist (ICS/LABA) fixed dose combination that, by simplifying the dosing schedule, allows, for the first time in a member of the ICS/LABA class, a shift from twice-daily to once-daily treatment. FF/VI is delivered via a novel, single-step activation, multi-dose dry powder inhaler for oral inhalation, Ellipta. Regrettably, there are no head-to-head trials that have shown superiority in the safety or efficacy of FF versus other ICSs, but evidence shows that VI has a quicker onset of effect versus salmeterol. However, the clinical utility of this effect in a maintenance medication is still questionable. Furthermore, benefits of FF/VI over twice-daily ICS/LABA comparator have not been shown yet and, in addition, its adverse event profile is generally consistent with the known class effects of an ICS/LABA fixed dose combination. In particular, there is an increase in the risk of pneumonia among patients treated with FF/VI relative to VI, mainly among those who benefit most from FF/VI. Nevertheless, the interesting pharmacological profiles of both FF and VI, the possibility that FF/VI can be administered once-daily, and the attractive characteristics of Ellipta are important features that could help FF/VI to be a successful combination in the treatment of chronic obstructive pulmonary disease.

Selecting optimal feast-to-famine ratio for a new polyhydroxyalkanoate (PHA) production system fed by valerate-dominant sludge hydrolysate.

PubMed

Hao, Jiuxiao; Wang, Hui; Wang, Xiujin

2018-04-01

The feast-to-famine ratio (F/F) represents the extent of selective pressure during polyhydroxyalkanoate (PHA) culture selection. This study evaluated the effects of F/F on a new PHA production system by an enriched culture with valerate-dominant sludge hydrolysate and selected the optimal F/F. After the original F/F 1/3 was modified to 1/1, 1/2, 1/4, and 1/5, F/F did not affect their lengths of feast phase, but affected their biomass growth behaviors during the famine phase and PHA-producing abilities. The optimal F/F was 1/2, and compared with 1/3, it increased the maximal PHA content and the fraction of 3-hydroxyvalerate (3HV) and 3-hydroxy-2-methylvalerate (3H2MV) monomers, with higher productivity and better polymer properties. Although F/F 1/2 impaired the advantage of the dominant genus Delftia, it improved the PHA production rate while decreased biomass growth rate, meanwhile enhancing the utilization and conversion of valerate. These findings indicate that in contrast to previous studies using acetate-dominant substrate for PHA production, the new system fed by valerate-dominant substrate can adopt a higher F/F.

EMISSION TEST REPORT, OMSS FIELD TEST ON CARBON INJECTION FOR MERCURY CONTROL

EPA Science Inventory

The report discusses results of a parametric evaluation of powdered activated carbon for control of mercury (Hg) emission from a municipal waste cornbustor (MWC) equipped with a lime spray dryer absorber/fabric filter (SD/FF). The primary test objectives were to evaluate the effe...

Assessing the direct effects of deep brain stimulation using embedded axon models

NASA Astrophysics Data System (ADS)

Sotiropoulos, Stamatios N.; Steinmetz, Peter N.

2007-06-01

To better understand the spatial extent of the direct effects of deep brain stimulation (DBS) on neurons, we implemented a geometrically realistic finite element electrical model incorporating anisotropic and inhomogenous conductivities. The model included the subthalamic nucleus (STN), substantia nigra (SN), zona incerta (ZI), fields of Forel H2 (FF), internal capsule (IC) and Medtronic 3387/3389 electrode. To quantify the effects of stimulation, we extended previous studies by using multi-compartment axon models with geometry and orientation consistent with anatomical features of the brain regions of interest. Simulation of axonal firing produced a map of relative changes in axonal activation. Voltage-controlled stimulation, with clinically typical parameters at the dorso-lateral STN, caused axon activation up to 4 mm from the target. This activation occurred within the FF, IC, SN and ZI with current intensities close to the average injected during DBS (3 mA). A sensitivity analysis of model parameters (fiber size, fiber orientation, degree of inhomogeneity, degree of anisotropy, electrode configuration) revealed that the FF and IC were consistently activated. Direct activation of axons outside the STN suggests that other brain regions may be involved in the beneficial effects of DBS when treating Parkinsonian symptoms.

HCN1 Channels Contribute to the Effects of Amnesia and Hypnosis But Not Immobility of Volatile Anesthetics

PubMed Central

Liu, Jin; Ke, Bowen; Wang, Xiaojia; Li, Fengshan; Li, Tao; Bayliss, Douglas A.; Chen, Xiangdong

2015-01-01

Background HCN1 channels have been identified as targets of ketamine to produce hypnosis. Volatile anesthetics also inhibit HCN1 channels. However, the effects of HCN1 channels on volatile anesthetics in vivo is still elusive. This study uses global and conditional HCN1 knockout mice to evaluate how HCN1 channels affect the actions of volatile anesthetics. Methods Minimum alveolar concentrations (MAC) of isoflurane and sevoflurane that induced immobility (MAC of immobility) and/or hypnosis (MAC of hypnosis) were determined in wild-type (WT) mice, global HCN1 channel knockout mice (HCN1−/−), floxed HCN1 channel gene (HCN1f/f) mice and forebrain-selective HCN1 channel knockout (HCN1f/f: cre) mice. Immobility of mice was defined as no purposeful reactions to tail-clamping stimulus and hypnosis was defined as loss of righting reflex (LORR). The amnestic effects of isoflurane and sevoflurane were evaluated by fear-potentiated startle in these four strains of mice. Results All MAC values were expressed as mean ± SEM. For MAC of immobility of isoflurane, no significant difference was found among wild-type, HCN1−/−, HCN1f/f and HCN1f/f: cre mice (all ~1.24-1.29% isoflurane). For both HCN1−/− and HCN1f/f: cre mice, the MAC of hypnosis for isoflurane (each ~1.05% isoflurane) were significantly increased over their nonknockout controls: HCN1−/− vs. wild-type (0.86±0.03%, P<0.001) and HCN1f/f: cre vs. HCN1f/f mice (0.84±0.03%, P<0.001); no significant difference was found between HCN1−/− and HCN1f/f: cre mice. For MAC of immobility of sevoflurane, no significant difference was found among wild-type, HCN1−/−, HCN1f/f and HCN1f/f: cre mice (all ~2.6-2.7% sevoflurane). For both HCN1−/− and HCN1f/f: cre mice, the MAC of hypnosis for sevoflurane (each ~1.90% sevoflurane) was significantly increased over their nonknockout controls: HCN1−/− vs. wild-type (1.58±0.05%, P<0.001) and HCN1f/f: cre vs. HCN1f/f mice (1.56±0.05%, P<0.001). No significant difference was found between HCN1−/− and HCN1f/f: cre mice. By fear-potentiated startle experiments, amnestic effects of isoflurane and sevoflurane were significantly attenuated in HCN1−/− and HCN1f/f: cre mice (both P<0.002 vs. wild-type or HCN1f/f mice). No significant difference was found between HCN1−/− and HCN1f/f: cre mice. Conclusions Forebrain HCN1 channels contribute to hypnotic and amnestic effects of volatile anesthetics, but HCN1 channels are not involved in the immobilizing actions of volatile anesthetics. PMID:26287296

Evaluating the effect of Focus Farms on Ontario dairy producers' knowledge, attitudes, and behavior toward control of Johne's disease.

PubMed

Roche, S M; Jones-Bitton, A; Meehan, M; Von Massow, M; Kelton, D F

2015-08-01

This study evaluated a participatory-based, experiential learning program, Ontario Focus Farms (FF), which aimed to change dairy producer behavior to control Johne's disease (JD) in Ontario, Canada. The goals were to (1) assess the effect of FF on participating dairy producers' knowledge, attitudes, and behavior with regard to JD control; (2) compare changes in these factors among FF participants to changes among a group of nonparticipating dairy producers; and (3) describe the characteristics of producers who made at least one on-farm management change. Pre- and post-FF intervention questionnaires collected data on respondents' knowledge, attitudes, behavior, herd production, and demographic information; before and after JD-risk assessments were used to assess respondents' on-farm risk of JD transmission. Overall, 176 dairy producers participated in the FF process; 39.8% (70/176) of FF and 14.6% (52/357) of control participants responded to both the pre- and postintervention questionnaires. Upon comparison, FF respondents were more likely to be younger, have larger herds, and have higher management scores. The proportion of FF participants who reported making at least one on-farm change (81%) was significantly higher than that of control respondents (38%). Overall, FF respondents significantly changed their risk score in 4 out of 5 risk areas and had an average reduction of 13 points in their overall risk score between before and after risk assessments. Control respondents' risk assessment scores did not significantly change during the study period. In a JD knowledge assessment, FF and control respondents exhibited a moderate knowledge score before the intervention period, with median scores of 75.9% (22/29) in each group. The FF respondents significantly increased their score at the postintervention assessment, with a median of 82.8% (24/29); control-respondent scores did not significantly change. Both FF and control respondents held strong positive attitudes toward JD control and felt a moderate amount of social pressure from veterinarians and industry organizations to make on-farm changes. However, they questioned their ability to effectively control JD on the farm. Last, participating in FF, having a moderate herd management score, having a positive perception about the practicality of on-farm recommendations, and having a singular learning preference were associated with increased odds of making an on-farm change. Overall, the FF process appears to be effective at influencing producer behavior toward implementing on-farm management practices for JD control. Future JD control programs should consider implementing peer-learning extension processes, such as FF, in combination with other extension approaches, to influence producer behavior. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Characterization of new polymer-grafted protein cation exchangers developed by partial neutralization of carboxyl groups derivatized by modification of poly(ethylenimine)-Sepharose with succinic anhydride.

PubMed

Zhao, Yangyang; Dong, Xiaoyan; Yu, Linling; Liu, Yang; Sun, Yan

2018-05-18

Previously, we have studied protein adsorption and chromatographic behaviors on poly(ethylenimine) (PEI)-grafted Sepharose FF anion-exchange resins, and found that protein uptake rates increased greatly when PEI grafting density reached over a critical ionic capacity (cIC) due to the occurrence of the "chain delivery" effect. Moreover, by partial charge neutralization of starting resin FF-PEI-L740 (IC = 740 mmol/L, larger than the cIC) with sodium acetate to FF-PEI-R440, it exhibited a three-fold increase in uptake rate over FF-PEI-L740. In this work, to take the advantages of PEI and extend the applications of the PEI-grafted resins in cation-exchange chromatography, a series of cation exchangers of five different ICs were developed. First, the charged of FF-PEI-L740 was reversed from positive to negative by reaction with excess succinic anhydride, which created a cation-exchanger with an IC of 970 mmol/L (FF-FEI-C970). FF-PEI-C970 was further modified with ethanolamine for partial charge neutralizations, leading to the preparation of four charge-reduced cation exchangers with IC values (in mmol/L) of 780, 630, 560 and 430, which were denoted as FF-PEI-CR780, -CR630 -CR560 and -CR430, respectively. Protein adsorption and chromatographic behaviors were investigated using lysozyme (Lys) as the model protein. It was found that, the resins of high and moderate IC values (IC ≥ 560 mmol/L) afforded adsorption capacities up to over 230 mg/mL. Besides, the uptake rate, represented by the effective pore diffusivity (D e/ D 0 ), exhibited significant increase from 0.067 (FF-PEI-C970 and FF-PEI-CR780) to 0.343 (FF-PEI-CR630 and FF-PEI-CR560) and then to 1.035 (FF-PEI-CR430) with decreasing IC. It was considered that decreasing IC led to the decreased protein binding sites (binding strength), which encouraged the occurrence of the "chain delivery" effect. Moreover, the resins of high and moderate IC values, particularly, the resins of moderate IC values (FF-PEI-CR630 and FF-PEI-CR560), presented both high adsorption capacities and uptake kinetics at 0-100 mmol/L NaCl. Besides, dynamic binding capacity achieved 150 mg/mL for the resins of moderate IC values at 0 mmol/L NaCl concentration, and afforded >110 mg/mL for the resin of high IC values at 0-100 mmol/L NaCl concentration. The results proved the excellent IEC performance of the PEI-derived cation exchangers. Copyright © 2018 Elsevier B.V. All rights reserved.

The burden and undertreatment of fragility fractures among senior women.

PubMed

Rodrigues, Ana M; Eusébio, Mónica; Santos, Maria José; Gouveia, Nélia; Tavares, Viviana; Coelho, Pedro S; Mendes, Jorge M; Branco, Jaime C; Canhão, Helena

2018-03-07

Using a large population database, we showed that fragility fractures were highly prevalent in senior women and were associated with significant physical disability. However, treatment rates were low because osteoporosis treatment was not prescribed or not agreed to by the majority of women with prevalent fragility fractures. The purpose of the study is to estimate prevalence of fragility fractures (FF), risk factors, and treatment rates in senior women and to assess impact of FF on physical function and quality of life. Women aged 65 years and older from the EpiReumaPt study (2011-2013) were evaluated. Rheumatologists collected data regarding FF, clinical risk factors for fractures, and osteoporosis (OP) treatment. Health-related quality of life (EQ5D) and physical function (HAQ) were analyzed. Peripheral dual-energy X-ray absorptiometry was performed. FF was defined as any self-reported low-impact fracture that occurred after 40 years of age. Prevalence estimates of FF were calculated. Among 3877 subjects evaluated in EpiReumaPt, 884 were senior women. The estimated prevalence of FF was 20.7%. Lower leg was the most frequent fracture site reported (37.8%) followed by wrist (18.6%). Only 7.1% of the senior women reporting a prevalent FF were under treatment for OP, and 13.9% never had treatment. OP treatment was not prescribed in 47.7% of FF women, and 23.4% refused treatment. Age (OR = 2.46, 95% CI 1.11-5.47), obesity (OR = 2.05, 95% CI 1.14-3.70), and low wrist BMD (OR = 2.29; 95% CI 1.20, 4.35; p = 0.012) were positively associated with prevalent FF. A significantly higher proportion of women in the lowest quintile of wrist bone mineral density reported FF (OR = 2.29, 95% CI 1.20-4.35). FF were associated with greater physical disability (β = 0.33, 95% CI 0.13-0.51) independent of other comorbidities. FF was frequently reported among senior women as an important cause of physical disability. However, the prevalence of OP treatment was low, which constitutes a public health problem in this vulnerable group.

A methodological study of genome-wide DNA methylation analyses using matched archival formalin-fixed paraffin embedded and fresh frozen breast tumors

PubMed Central

Yan, Li; Liu, Song; Tang, Li; Hu, Qiang; Morrison, Carl D.; Ambrosone, Christine B.; Higgins, Michael J.; Sucheston-Campbell, Lara E.

2017-01-01

Background DNA from archival formalin-fixed and paraffin embedded (FFPE) tissue is an invaluable resource for genome-wide methylation studies although concerns about poor quality may limit its use. In this study, we compared DNA methylation profiles of breast tumors using DNA from fresh-frozen (FF) tissues and three types of matched FFPE samples. Results For 9/10 patients, correlation and unsupervised clustering analysis revealed that the FF and FFPE samples were consistently correlated with each other and clustered into distinct subgroups. Greater than 84% of the top 100 loci previously shown to differentiate ER+ and ER– tumors in FF tissues were also FFPE DML. Weighted Correlation Gene Network Analyses (WCGNA) grouped the DML loci into 16 modules in FF tissue, with ~85% of the module membership preserved across tissue types. Materials and Methods Restored FFPE and matched FF samples were profiled using the Illumina Infinium HumanMethylation450K platform. Methylation levels (β-values) across all loci and the top 100 loci previously shown to differentiate tumors by estrogen receptor status (ER+ or ER−) in a larger FF study, were compared between matched FF and FFPE samples using Pearson's correlation, hierarchical clustering and WCGNA. Positive predictive values and sensitivity levels for detecting differentially methylated loci (DML) in FF samples were calculated in an independent FFPE cohort. Conclusions FFPE breast tumors samples show lower overall detection of DMLs versus FF, however FFPE and FF DMLs compare favorably. These results support the emerging consensus that the 450K platform can be employed to investigate epigenetics in large sets of archival FFPE tissues. PMID:28118602

Endothelial fibroblast growth factor receptor signaling is required for vascular remodeling following cardiac ischemia-reperfusion injury

PubMed Central

Castro, Angela M.; Lupu, Traian S.; Weinheimer, Carla; Smith, Craig; Kovacs, Attila

2016-01-01

Fibroblast growth factor (FGF) signaling is cardioprotective in various models of myocardial infarction. FGF receptors (FGFRs) are expressed in multiple cell types in the adult heart, but the cell type-specific FGFR signaling that mediates different cardioprotective endpoints is not known. To determine the requirement for FGFR signaling in endothelium in cardiac ischemia-reperfusion injury, we conditionally inactivated the Fgfr1 and Fgfr2 genes in endothelial cells with Tie2-Cre (Tie2-Cre, Fgfr1f/f, Fgfr2f/f DCKO mice). Tie2-Cre, Fgfr1f/f, Fgfr2f/f DCKO mice had normal baseline cardiac morphometry, function, and vessel density. When subjected to closed-chest, regional cardiac ischemia-reperfusion injury, Tie2-Cre, Fgfr1f/f, Fgfr2f/f DCKO mice showed a significantly increased hypokinetic area at 7 days, but not 1 day, after reperfusion. Tie2-Cre, Fgfr1f/f, Fgfr2f/f DCKO mice also showed significantly worsened cardiac function compared with controls at 7 days but not 1 day after reperfusion. Pathophysiological analysis showed significantly decreased vessel density, increased endothelial cell apoptosis, and worsened tissue hypoxia in the peri-infarct area at 7 days following reperfusion. Notably, Tie2-Cre, Fgfr1f/f, Fgfr2f/f DCKO mice showed no impairment in the cardiac hypertrophic response. These data demonstrate an essential role for FGFR1 and FGFR2 in endothelial cells for cardiac functional recovery and vascular remodeling following in vivo cardiac ischemia-reperfusion injury, without affecting the cardiac hypertrophic response. This study suggests the potential for therapeutic benefit from activation of endothelial FGFR pathways following ischemic injury to the heart. PMID:26747503

Circulating fetal cell-free DNA fractions differ in autosomal aneuploidies and monosomy X.

PubMed

Rava, Richard P; Srinivasan, Anupama; Sehnert, Amy J; Bianchi, Diana W

2014-01-01

Noninvasive prenatal testing based on massively parallel sequencing (MPS) of cell-free DNA in maternal plasma has become rapidly integrated into clinical practice for detecting fetal chromosomal aneuploidy. We directly determined the fetal fraction (FF) from results obtained with MPS tag counting and examined the relationships of FF to such biological parameters as fetal karyotype and maternal demographics. FF was determined from samples previously collected for the MELISSA (Maternal Blood Is Source to Accurately Diagnose Fetal Aneuploidy) study. Samples were resequenced, analyzed blindly, and aligned to the human genome (assembly hg19). FF was calculated in pregnancies with male or aneuploid fetuses by means of an equation that incorporated the ratio of the tags in these samples to those of a euploid training set. The mean (SD) FF from euploid male pregnancies was 0.126 (0.052) (n = 160). Weak but statistically significant correlations were found between FF and the maternal body mass index (r(2) = 0.18; P = 2.3 × 10(-8)) and between FF and gestational age (r(2) = 0.02; P = 0.047). No relationship with maternal ethnicity or age was observed. Mean FF values for trisomies 21 (n = 90), 18 (n = 38), and 13 (n = 16) and for monosomy X (n = 20) were 0.135 (0.051), 0.089 (0.039), 0.090 (0.062), and 0.106 (0.045), respectively. MPS tag-count data can be used to determine FF directly and accurately. Compared with male euploid fetuses, the FF is higher in maternal plasma when the fetus has trisomy 21 and is lower when the fetus has trisomy 18, 13, or monosomy X. The different biologies of these aneuploidies have practical implications for the determination of cutoff values, which in turn will affect the diagnostic sensitivity and specificity of the test.

Endothelial fibroblast growth factor receptor signaling is required for vascular remodeling following cardiac ischemia-reperfusion injury.

PubMed

House, Stacey L; Castro, Angela M; Lupu, Traian S; Weinheimer, Carla; Smith, Craig; Kovacs, Attila; Ornitz, David M

2016-03-01

Fibroblast growth factor (FGF) signaling is cardioprotective in various models of myocardial infarction. FGF receptors (FGFRs) are expressed in multiple cell types in the adult heart, but the cell type-specific FGFR signaling that mediates different cardioprotective endpoints is not known. To determine the requirement for FGFR signaling in endothelium in cardiac ischemia-reperfusion injury, we conditionally inactivated the Fgfr1 and Fgfr2 genes in endothelial cells with Tie2-Cre (Tie2-Cre, Fgfr1(f/f), Fgfr2(f/f) DCKO mice). Tie2-Cre, Fgfr1(f/f), Fgfr2(f/f) DCKO mice had normal baseline cardiac morphometry, function, and vessel density. When subjected to closed-chest, regional cardiac ischemia-reperfusion injury, Tie2-Cre, Fgfr1(f/f), Fgfr2(f/f) DCKO mice showed a significantly increased hypokinetic area at 7 days, but not 1 day, after reperfusion. Tie2-Cre, Fgfr1(f/f), Fgfr2(f/f) DCKO mice also showed significantly worsened cardiac function compared with controls at 7 days but not 1 day after reperfusion. Pathophysiological analysis showed significantly decreased vessel density, increased endothelial cell apoptosis, and worsened tissue hypoxia in the peri-infarct area at 7 days following reperfusion. Notably, Tie2-Cre, Fgfr1(f/f), Fgfr2(f/f) DCKO mice showed no impairment in the cardiac hypertrophic response. These data demonstrate an essential role for FGFR1 and FGFR2 in endothelial cells for cardiac functional recovery and vascular remodeling following in vivo cardiac ischemia-reperfusion injury, without affecting the cardiac hypertrophic response. This study suggests the potential for therapeutic benefit from activation of endothelial FGFR pathways following ischemic injury to the heart. Copyright © 2016 the American Physiological Society.

Joint dynamics of rear- and fore-foot unplanned sidestepping.

PubMed

Donnelly, Cyril J; Chinnasee, Chamnan; Weir, Gillian; Sasimontonkul, Siriporn; Alderson, Jacqueline

2017-01-01

Compare the lower-limb mechanics and anterior cruciate ligament (ACL) injury risk of athletes using a habitual rear-foot (RF) and fore-foot (FF) fall pattern during unplanned sidestepping (UnSS). Experimental cross-sectional. Nineteen elite female field hockey players attended one biomechanical motion capture testing session, which consisted of a random series of pre-planned and unplanned sidestepping sport tasks. Following data collection, participants were classified as possessing a habitual RF or FF fall pattern during UnSS. Hip, knee and ankle joint angles, moments, instantaneous powers and net joint work were calculated during weight acceptance. Between group differences were evaluated using independent sample t-tests (α=0.05). Athletes using a habitual RF fall pattern during UnSS absorbed significantly more work and power through their knee joint (p<0.001), which was coupled with significantly elevated externally applied peak non-sagittal plane peak ankle moments (p<0.05) as well as peak flexion and abduction knee moments (p<0.005). Athletes using a habitual FF fall pattern during UnSS absorbed more power through their ankle joint (p<0.001). A RF fall pattern during UnSS places a large mechanical demand on the knee joint, which is associated with elevated ACL injury risk. Conversely, a FF fall pattern placed a large mechanical demand on the ankle joint. Modifying an athlete's foot fall pattern during UnSS may be viable technique recommendation when returning from knee or ankle injury. Copyright © 2016 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Cluster evolution during the early stages of heating explosives and its relationship to sensitivity: a comparative study of TATB, β-HMX and PETN by molecular reactive force field simulations.

PubMed

Wen, Yushi; Zhang, Chaoyang; Xue, Xianggui; Long, Xinping

2015-05-14

Clustering is experimentally and theoretically verified during the complicated processes involved in heating high explosives, and has been thought to influence their detonation properties. However, a detailed description of the clustering that occurs has not been fully elucidated. We used molecular dynamic simulations with an improved reactive force field, ReaxFF_lg, to carry out a comparative study of cluster evolution during the early stages of heating for three representative explosives: 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), β-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and pentaerythritol tetranitrate (PETN). These representatives vary greatly in their oxygen balance (OB), molecular structure, stability and experimental sensitivity. We found that when heated, TATB, HMX and PETN differ in the size, amount, proportion and lifetime of their clusters. We also found that the clustering tendency of explosives decreases as their OB becomes less negative. We propose that the relationship between OB and clustering can be attributed to the role of clustering in detonation. That is, clusters can form more readily in a high explosive with a more negative OB, which retard its energy release, secondary decomposition, further decomposition to final small molecule products and widen its detonation reaction zone. Moreover, we found that the carbon content of the clusters increases during clustering, in accordance with the observed soot, which is mainly composed of carbon as the final product of detonation or deflagration.

Impacts of Woody Debris on Fluvial Processes and Channel Morphology in Stable and Unstable Streams

DTIC Science & Technology

1997-06-01

the channel, 4 through erosion and flotation of emergent and riparian trees (Hogan, 1987) (Figuie 2.1). Fetherston et al. (1995) suggest that debris...the CEM or is actively meandering. Jams tend to form where the key debris elements fall into the river and, hence, ar,- commonly located at bend apices ... flotation force due to the pressure on the under surface of a submerged or partially submerged body is given by: Ff - p•,gLA (5.1) where, Ft. - flotation

Soviet Military Objectives in the Artic Theater and How They Might be Attained

DTIC Science & Technology

1986-09-01

on NATO’s Northern Flank," Armed Forces Journal International, April 1984, 88 ff.; Roy Breivik , "Assuring the Security of Reinforcements to Norway...Publishing Co., 1985), 72-78 passim; Patrick Wall, "The Importance of NATO’s North- em Flank," Defence, vol. 10, no. 1 (January 1979), 9-11. 48. The...Ellingsen, Militaerbalansen 1983-1984; Breivik , "Assuring the Security of Rein- forcements to Norway," 66. 50. The reinforcements include a

Air Force Civil Engineer, Volume 10, Number 1, Spring 2002

DTIC Science & Technology

2002-01-01

gone into the 823rd Expeditionary RED HORSE Squadron�s military construction (MILCON) funded ramp project at Al Udeid Air Base, Qatar , and the main...AE W P ub lic A ff ai rs an Air Base RED HORSE builds MILCON project in Qatar SSgt Chuck Risinger, 823rd RHS, operates a slip form paver March 24...and were not designed to limit or contain the migration of lead into the environ- ment and sub-surface groundwater aquifers . An estimated 2,000

U.S. Naval Forces, Vietnam Monthly Historical Summary for September 1966

DTIC Science & Technology

1966-11-07

ST X A U. u „ UNCt^ CORIANDER U. S. N/.VAL FOKCES, VILTOi AFO San Francisco 96214 FF5-16/03: gem 5213 Ser: 0581 7 November 1966...Fire InciJunts • »20 Naval Gunfire Support «20 tuJIKET TI>E Units ,22 Maval Support Activity ! Saigon ..*•••.... |• 25 Civic Action and...ZJIDEN Statistical Suianaxy, September 1966, APPENÜH III Summaxy report of activities of U.S. Naval Support Activity , DoNang for the period 21 Juno

Evaluating Opportunities for Improved Processes and Flow Rates in Royal Saudi Air Force F-15 Reparable Items Supply Chain

DTIC Science & Technology

2015-09-15

of manpower to the focal company’s development and product commercialization process, availability of products in times of shortage , and/or...their employees to help improvements teams, by notifying them about any shortage or problems in the process, rather than blaming employees for...cargo services are used in air-shipping those parts to the United States. Then, parts are consolidated by the FF in the Wilmington warehouse , and

The Geography of Fast Food Outlets: A Review

PubMed Central

Fraser, Lorna K.; Edwards, Kimberly L.; Cade, Janet; Clarke, Graham P.

2010-01-01

The availability of food high in fat, salt and sugar through Fast Food (FF) or takeaway outlets, is implicated in the causal pathway for the obesity epidemic. This review aims to summarise this body of research and highlight areas for future work. Thirty three studies were found that had assessed the geography of these outlets. Fourteen studies showed a positive association between availability of FF outlets and increasing deprivation. Another 13 studies also included overweight or obesity data and showed conflicting results between obesity/overweight and FF outlet availability. There is some evidence that FF availability is associated with lower fruit and vegetable intake. There is potential for land use policies to have an influence on the location of new FF outlets. Further research should incorporate good quality data on FF consumption, weight and physical activity. PMID:20623025

The geography of Fast Food outlets: a review.

PubMed

Fraser, Lorna K; Edwards, Kimberly L; Cade, Janet; Clarke, Graham P

2010-05-01

The availability of food high in fat, salt and sugar through Fast Food (FF) or takeaway outlets, is implicated in the causal pathway for the obesity epidemic. This review aims to summarise this body of research and highlight areas for future work. Thirty three studies were found that had assessed the geography of these outlets. Fourteen studies showed a positive association between availability of FF outlets and increasing deprivation. Another 13 studies also included overweight or obesity data and showed conflicting results between obesity/overweight and FF outlet availability. There is some evidence that FF availability is associated with lower fruit and vegetable intake. There is potential for land use policies to have an influence on the location of new FF outlets. Further research should incorporate good quality data on FF consumption, weight and physical activity.

Associations between sugar-sweetened beverage consumption and fast-food restaurant frequency among adolescents and their friends.

PubMed

Bruening, Meg; MacLehose, Richard; Eisenberg, Marla E; Nanney, Marilyn S; Story, Mary; Neumark-Sztainer, Dianne

2014-01-01

To assess associations between adolescents and their friends with regard to sugar-sweetened beverage (SSB)/diet soda intake and fast-food (FF) restaurant visits. Population-based, cross-sectional survey study with direct measures from friends. Twenty Minneapolis/St Paul schools during 2009-2010. Adolescents (n = 2,043; mean age, 14.2 ± 1.9 years; 46.2% female; 80% non-white). Adolescent SSB/diet soda intake and FF visits. Generalized estimating equation logistic models were used to examine associations between adolescents' SSB/diet soda intake and FF visits and similar behaviors in nominated friends (friend groups and best friends). School-level (middle vs high school) interactions were assessed. Significant associations were found between adolescents and friends behaviors for each of the beverages assessed (P < .05), but they varied by friendship type and school level. Five of 6 models of FF visits (including all FF visits) were significantly associated (P < .05) among adolescents and their friends. Significant interactions by school level were present among adolescents' and friends' FF visits, with associations generally for high school participants compared with middle school participants (P < .05). Findings suggest that for many beverages and FF restaurant types, friends' behaviors are associated, especially FF visits for older adolescents. Nutrition education efforts may benefit by integrating knowledge of the impact of adolescents' friends on FF visits. Copyright © 2014 Society for Nutrition Education and Behavior. Published by Elsevier Inc. All rights reserved.

Associations between sugar-sweetened beverage consumption and fast food restaurant frequency among adolescents and their friends

PubMed Central

Bruening, Meg; MacLehose, Richard; Eisenberg, Marla E; Nanney, Marilyn S.; Story, Mary; Neumark-Sztainer, Dianne

2016-01-01

Objective To assess associations between adolescents and their friends with regard to sugar-sweetened beverage (SSB)/diet soda intake, and fast food (FF) restaurant visits. Design Population-based, cross-sectional survey study with direct measures from friends. Setting Twenty Minneapolis/St. Paul schools during 2009–2010. Participants Adolescents (n=2,043; mean age=14.2±1.9; 46.2% female; 80% non-white). Main outcome measures Adolescent SSB/diet soda intake and FF visits. Analysis Generalized estimating equation logistic models were used to examine associations between adolescents’ SSB/diet soda intake and FF visits and similar behaviors in nominated friends (friend groups, best friends). School-level (middle vs. high school) interactions were assessed. Results Significant associations were found between adolescents and friends behaviors for each of the beverages assessed (P<0.05), but varied by friendship type and school level. Five of six models of FF visits (including all FF visits) were significantly associated (P <0.05) among adolescents and their friends. Significant interactions by school level were present among adolescents’ and friends’ FF visits, with associations generally for high school participants compared to middle school participants (P <0.05). Conclusions and implications Findings suggest for many beverages and FF restaurant types, friends’ behaviors are associated, especially FF visits for older adolescents. Nutrition education efforts may benefit by integrating the knowledge of the impact of adolescents’ friends on FF visits. PMID:24735768

Qualitative and Quantitative Analysis of Proteome and Peptidome of Human Follicular Fluid Using Multiple Samples from Single Donor with LC-MS and SWATH Methodology.

PubMed

Lewandowska, Aleksandra E; Macur, Katarzyna; Czaplewska, Paulina; Liss, Joanna; Łukaszuk, Krzysztof; Ołdziej, Stanisław

2017-08-04

Human follicular fluid (hFF) is a natural environment of oocyte maturation, and some components of hFF could be used to judge oocyte capability for fertilization and further development. In our pilot small-scale study three samples from four donors (12 samples in total) were analyzed to determine which hFF proteins/peptides could be used to differentiate individual oocytes and which are patient-specific. Ultrafiltration was used to fractionate hFF to high-molecular-weight (HMW) proteome (>10 kDa) and low-molecular-weight (LMW) peptidome (<10 kDa) fractions. HMW and LMW compositions were analyzed using LC-MS in SWATH data acquisition and processing methodology. In total we were able to identify 158 proteins, from which 59 were never reported before as hFF components. 55 (45 not reported before) proteins were found by analyzing LMW fraction, 67 (14 not reported before) were found by analyzing HMW fraction, and 36 were identified in both fractions of hFF. We were able to perform quantitative analysis for 72 proteins from HMW fraction of hFF. We found that concentrations of 11 proteins varied substantially among hFF samples from single donors, and those proteins are promising targets to identify biomarkers useful in oocyte quality assessment.

Assessing fossil fuel CO2 emissions in California using atmospheric observations and models

NASA Astrophysics Data System (ADS)

Graven, H.; Fischer, M. L.; Lueker, T.; Jeong, S.; Guilderson, T. P.; Keeling, R. F.; Bambha, R.; Brophy, K.; Callahan, W.; Cui, X.; Frankenberg, C.; Gurney, K. R.; LaFranchi, B. W.; Lehman, S. J.; Michelsen, H.; Miller, J. B.; Newman, S.; Paplawsky, W.; Parazoo, N. C.; Sloop, C.; Walker, S. J.

2018-06-01

Analysis systems incorporating atmospheric observations could provide a powerful tool for validating fossil fuel CO2 (ffCO2) emissions reported for individual regions, provided that fossil fuel sources can be separated from other CO2 sources or sinks and atmospheric transport can be accurately accounted for. We quantified ffCO2 by measuring radiocarbon (14C) in CO2, an accurate fossil-carbon tracer, at nine observation sites in California for three months in 2014–15. There is strong agreement between the measurements and ffCO2 simulated using a high-resolution atmospheric model and a spatiotemporally-resolved fossil fuel flux estimate. Inverse estimates of total in-state ffCO2 emissions are consistent with the California Air Resources Board’s reported ffCO2 emissions, providing tentative validation of California’s reported ffCO2 emissions in 2014–15. Continuing this prototype analysis system could provide critical independent evaluation of reported ffCO2 emissions and emissions reductions in California, and the system could be expanded to other, more data-poor regions.

SU-F-T-621: Impact of Vacuum and Treatment Couch On Surface Dose in Stereotactic Body Radiation Therapy With and Without a Flattening Filter

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

Lan, HT; Lu, SH; Kuo, SH

2016-06-15

Purpose: When treating lung cancer patients with stereotactic body radiation therapy (SBRT), better immobilization is needed for accurate delivery of high-dose radiation. However, using a treatment couch (TrueBeamTM) and vacuum bag (BlueBAGTM) may increase the surface dose and skin toxicity. This study investigated the influence of couch and vacuum bag on the surface dose. Methods: The relative surface dose (D{sub 0}/DMAX) was measured in an ion-chamber (Markus-type PTW, 0.05cm{sup 3}) with a solid water phantom and SSD to 100 cm. A comprehensive comparison of different parameter settings, including the different energies (6MV-FFF, 10MV-FF, and 10MV-FFF), field sizes (3 X 3more » cm{sup 2}, 5 × 5 cm{sup 2}, 8 × x cm{sup 2} , 10 × 10 cm{sup 2}, and 15 × 15 cm{sup 2}), thickness of the vacuum bag (5mm, 15mm, 30mm, 39mm and 55mm), and couch (with and without), was performed. Results: The FFF increases the surface dose as compared to FF mode. In a similar setting with field of 10 × 10 cm{sup 2}, FFF mode increases the surface dose from 26.0% to 32.8% for 6 MV, and 17.4% to 21.5% for 10 MV. When the beam passes through the couch, the surface dose increases to 3.6, 4.6, 2.9, and 3.7 times for 6 MV-FF, 10 MV-FF, 6 MV-FFF, and 10 MV-FFF, respectively. At the same energy, the surface dose increases to 3.93, 4.11, 4.23, 4.16 and 4.24 times at 5 mm, 15 mm, 30 mm, 39 mm and 55 mm thickness of the vacuum, respectively. Conclusion: Using a couch and vacuum significantly increases the surface dose. For SBRT with a superficial target close to the couch and immobilization vacuum, reduction of vacuum thickness and careful attention to skin dose in planning would be helpful in avoiding severe skin toxicity.« less

Topological superfluids with finite-momentum pairing and Majorana fermions.

PubMed

Qu, Chunlei; Zheng, Zhen; Gong, Ming; Xu, Yong; Mao, Li; Zou, Xubo; Guo, Guangcan; Zhang, Chuanwei

2013-01-01

Majorana fermions (MFs), quantum particles that are their own antiparticles, are not only of fundamental importance in elementary particle physics and dark matter, but also building blocks for fault-tolerant quantum computation. Recently MFs have been intensively studied in solid state and cold atomic systems. These studies are generally based on superconducting pairing with zero total momentum. On the other hand, finite total momentum Cooper pairings, known as Fulde-Ferrell (FF) Larkin-Ovchinnikov (LO) states, were widely studied in many branches of physics. However, whether FF and LO superconductors can support MFs has not been explored. Here we show that MFs can exist in certain types of gapped FF states, yielding a new quantum matter: topological FF superfluids/superconductors. We demonstrate the existence of such topological FF superfluids and the associated MFs using spin-orbit-coupled degenerate Fermi gases and derive their parameter regions. The implementation of topological FF superconductors in semiconductor/superconductor heterostructures is also discussed.

Finishing performance and diet digestibility for feedlot steers fed corn distillers grains plus solubles and distillers solubles with and without oil extraction.

PubMed

Jolly-Breithaupt, M L; Nuttelman, B L; Schneider, C J; Burken, D B; Gramkow, J L; Shreck, A L; MacDonald, J C; Klopfenstein, T J; Erickson, G E

2018-05-04

Three experiments evaluated the effects of corn oil removal using centrifugation in ethanol plants, on animal performance and digestion characteristics by finishing cattle fed by-products. In Exp. 1, 225 crossbred steers (300 ± 9.1 kg) were utilized in a randomized block design with a 2 × 2 + 1 factorial arrangement of treatments. Factors consisted of oil concentration [de-oiled (DO) or full fat (FF)] and by-product type [condensed distillers solubles (CDS) or modified distillers grains plus solubles (MDGS)] compared to a corn-based control. Fat concentration was 6.0% for DO CDS, 21.1% for FF CDS, 9.2% for DO MDGS, and 11.8% for FF MDGS. No oil concentration by by-product type interactions (P ≥ 0.17) were observed. There were no differences in DMI, ADG, or G:F between DO and FF CDS (P ≥ 0.29) or DO and FF MDGS (P ≥ 0.58). No differences (P ≥ 0.25) due to oil concentration were observed for carcass characteristics. Experiment 2 was a 5 × 5 Latin Square digestion trial with treatments similar to Exp. 1. Fat concentration was 8.7% or 15.4% for DO or FF CDS and 9.2% or 12.3% for DO or FF MDGS. Intake and total tract digestibility of fat were greater (P ≤ 0.02) for FF CDS compared with DO CDS. Digestible energy (megacalorie per kilogram), adjusted for intake, was greater (P = 0.02) for steers fed FF CDS compared to DO CDS. Average ruminal pH for cattle fed FF MDGS was greater than DO MDGS (P = 0.06). In Exp. 3, 336 yearling, crossbred steers (352 ± 19 kg) were utilized in a randomized block design with a 2 × 3 + 1 factorial arrangement of treatments. Factors included oil concentration (DO or FF) and inclusion [35%, 50%, and 65% wet distillers grains plus solubles (WDGS)] along with a corn-based control. The fat concentrations of DO and FF WDGS were 7.9% and 12.4%, respectively. A linear interaction (P < 0.01) was observed for DMI, which produced different slopes for DO and FF WDGS. No linear or quadratic interactions were observed for BW, ADG, or G:F (P ≥ 0.31). For the main effect of oil concentration, there were no statistical differences (P > 0.19) for final BW, ADG, or G:F. No statistical differences were observed for all carcass traits (P ≥ 0.34). Corn oil removal via centrifugation had minimal impact on finishing performance suggesting that cattle fed DO by-products will have similar performance to cattle fed FF by-products in dry-rolled and high-moisture corn diets.

Quantifying fossil fuel CO2 from continuous measurements of APO: a novel approach

NASA Astrophysics Data System (ADS)

Pickers, Penelope; Manning, Andrew C.; Forster, Grant L.; van der Laan, Sander; Wilson, Phil A.; Wenger, Angelina; Meijer, Harro A. J.; Oram, David E.; Sturges, William T.

2016-04-01

Using atmospheric measurements to accurately quantify CO2 emissions from fossil fuel sources requires the separation of biospheric and anthropogenic CO2 fluxes. The ability to quantify the fossil fuel component of CO2 (ffCO2) from atmospheric measurements enables more accurate 'top-down' verification of CO2 emissions inventories, which frequently have large uncertainty. Typically, ffCO2 is quantified (in ppm units) from discrete atmospheric measurements of Δ14CO2, combined with higher resolution atmospheric CO measurements, and with knowledge of CO:ffCO2 ratios. In the United Kingdom (UK), however, measurements of Δ14CO2 are often significantly biased by nuclear power plant influences, which limit the use of this approach. We present a novel approach for quantifying ffCO2 using measurements of APO (Atmospheric Potential Oxygen; a tracer derived from concurrent measurements of CO2 and O2) from two measurement sites in Norfolk, UK. Our approach is similar to that used for quantifying ffCO2 from CO measurements (ffCO2(CO)), whereby ffCO2(APO) = (APOmeas - APObg)/RAPO, where (APOmeas - APObg) is the APO deviation from the background, and RAPO is the APO:CO2 combustion ratio for fossil fuel. Time varying values of RAPO are calculated from the global gridded COFFEE (CO2 release and Oxygen uptake from Fossil Fuel Emission Estimate) dataset, combined with NAME (Numerical Atmospheric-dispersion Modelling Environment) transport model footprints. We compare our ffCO2(APO) results to results obtained using the ffCO2(CO) method, using CO:CO2 fossil fuel emission ratios (RCO) from the EDGAR (Emission Database for Global Atmospheric Research) database. We find that the APO ffCO2 quantification method is more precise than the CO method, owing primarily to a smaller range of possible APO:CO2 fossil fuel emission ratios, compared to the CO:CO2 emission ratio range. Using a long-term dataset of atmospheric O2, CO2, CO and Δ14CO2 from Lutjewad, The Netherlands, we examine the accuracy of our ffCO2(APO) method, and assess the potential of using APO to quantify ffCO2 independently from Δ14CO2 measurements, which, as well as being unreliable in many UK regions, are very costly. Using APO to quantify ffCO2 has significant policy relevance, with the potential to provide more accurate and more precise top-down verification of fossil fuel emissions.

The Fucosylation Inhibitor, 2-Fluorofucose, Inhibits Vaso-Occlusion, Leukocyte-Endothelium Interactions and NF-ĸB Activation in Transgenic Sickle Mice

PubMed Central

Belcher, John D.; Chen, Chunsheng; Nguyen, Julia; Abdulla, Fuad; Nguyen, Phong; Nguyen, Minh; Okeley, Nicole M.; Benjamin, Dennis R.; Senter, Peter D.; Vercellotti, Gregory M.

2015-01-01

2-Fluorofucose (2FF) blocks the fucosylation and the tethering of sialyl-Lewisx tetrasaccharide and structural variants on leukocytes and red blood cells to P- and E-selectins on activated endothelial cell surfaces. Because P- and E-selectin are required for vaso-occlusion in murine sickle cell disease (SCD), we investigated whether 2FF would inhibit vaso-occlusion in SCD mice. Microvascular stasis was measured in subcutaneous venules in NY1DD and HbSS-Townes SCD mice with dorsal skin-fold chambers after infusion of hemoglobin or exposure to hypoxia/reoxygenation. 2FF in drinking water or administered by gavage inhibited stasis in sickle mice in a dose-responsive manner. Significant inhibitory effects on stasis were seen 1 day post-treatment. 2FF treatment of SCD mice also significantly reduced leukocyte rolling and adhesion along the vessel walls of SCD mice and the static adhesion of neutrophils and sickle red blood cells isolated from 2FF-treated SCD mice to resting and activated endothelial cells. Total white blood cell counts increased in response to 2FF. NF-ĸB activation and VCAM-1 and E-selectin expression were inhibited in the livers of SCD mice consistent with an overall decrease in vascular inflammation and ischemia-reperfusion physiology. Pretreatment with 2FF completely eliminated heme-induced lethality in HbSS-Townes mice, consistent with the observed anti-inflammatory and anti-adhesive properties of 2FF in SCD mice. These data suggest that 2FF may be beneficial for preventing or treating vaso-occlusive crises in SCD patients. PMID:25706118

Associations between IVF outcomes and essential trace elements measured in follicular fluid and urine: a pilot study.

PubMed

Ingle, Mary E; Bloom, Michael S; Parsons, Patrick J; Steuerwald, Amy J; Kruger, Pamela; Fujimoto, Victor Y

2017-02-01

A hypothesis-generating pilot study exploring associations between essential trace elements measured in follicular fluid (FF) and urine and in vitro fertilization (IVF) endpoints. We recruited 58 women undergoing IVF between 2007 and 2008, and measured cobalt, chromium, copper, manganese, molybdenum, and zinc in FF (n = 46) and urine (n = 45) by inductively coupled plasma mass spectrometry (ICP-MS). We used multivariable regression models to assess the impact of FF and urine trace elements on IVF outcomes, adjusted for age, body mass index, race, and cigarette smoking. Trace elements were mostly present at lower concentrations in FF than in urine. The average number of oocytes retrieved was positively associated with higher urine cobalt, chromium, copper, and molybdenum concentrations. FF chromium and manganese were negatively associated with the proportion of mature oocytes, yet urine manganese had a positive association. FF zinc was inversely associated with average oocyte fertilization. Urine trace elements were significant positive predictors for the total number of embryos generated. FF copper predicted lower embryo fragmentation while urine copper was associated with higher embryo cell number and urine manganese with higher embryo fragmentation. No associations were detected for implantation, pregnancy, or live birth. Our results suggest the importance of trace elements in both FF and urine for intermediate, although not necessarily clinical, IVF endpoints. The results differed using FF or urine biomarkers of exposure, which may have implications for the design of clinical and epidemiologic investigations. These initial findings will form the basis of a more definitive future study.

Distinct GABAergic targets of feedforward and feedback connections between lower and higher areas of rat visual cortex.

PubMed

Gonchar, Yuri; Burkhalter, Andreas

2003-11-26

Processing of visual information is performed in different cortical areas that are interconnected by feedforward (FF) and feedback (FB) pathways. Although FF and FB inputs are excitatory, their influences on pyramidal neurons also depend on the outputs of GABAergic neurons, which receive FF and FB inputs. Rat visual cortex contains at least three different families of GABAergic neurons that express parvalbumin (PV), calretinin (CR), and somatostatin (SOM) (Gonchar and Burkhalter, 1997). To examine whether pathway-specific inhibition (Shao and Burkhalter, 1996) is attributable to distinct connections with GABAergic neurons, we traced FF and FB inputs to PV, CR, and SOM neurons in layers 1-2/3 of area 17 and the secondary lateromedial area in rat visual cortex. We found that in layer 2/3 maximally 2% of FF and FB inputs go to CR and SOM neurons. This contrasts with 12-13% of FF and FB inputs onto layer 2/3 PV neurons. Unlike inputs to layer 2/3, connections to layer 1, which contains CR but lacks SOM and PV somata, are pathway-specific: 21% of FB inputs go to CR neurons, whereas FF inputs to layer 1 and its CR neurons are absent. These findings suggest that FF and FB influences on layer 2/3 pyramidal neurons mainly involve disynaptic connections via PV neurons that control the spike outputs to axons and proximal dendrites. Unlike FF input, FB input in addition makes a disynaptic link via CR neurons, which may influence the excitability of distal pyramidal cell dendrites in layer 1.

Influence of Molecular Weight of Carriers and Processing Parameters on the Extrudability, Drug Release, and Stability of Fenofibrate Formulations Processed by Hot-Melt Extrusion.

PubMed

Alsulays, Bader B; Park, Jun-Bom; Alshehri, Sultan M; Morott, Joseph T; Alshahrani, Saad M; Tiwari, Roshan V; Alshetaili, Abdullah S; Majumdar, Soumyajit; Langley, Nigel; Kolter, Karl; Gryczke, Andreas; Repka, Michael A

2015-10-01

The objective of this study was to investigate the extrudability, drug release, and stability of fenofibrate (FF) formulations utilizing various hot-melt extrusion processing parameters and polyvinylpyrrolidone (PVP) polymers of various molecular weights. The different PVP grades selected for this study were Kollidon ® 12 PF (K12), Kollidon ® 30 (K30), and Kollidon ® 90 F (K90). FF was extruded with these polymers at three drug loadings (15%, 25%, and 35% w/w). Additionally, for FF combined with each of the successfully extruded PVP grades (K12 and K30), the effects of two levels of processing parameters for screw design, screw speed, and barrel temperature were assessed. It was found that the FF with (K90) was not extrudable up to 35% drug loading. With low drug loading, the polymer viscosity significantly influenced the release of FF. The crystallinity remaining was vital in the highest drug-loaded formulation dissolution profile, and the glass transition temperature of the polymer significantly affected its stability. Modifying the screw configuration resulted in more than 95% post-extrusion drug content of the FF-K30 formulations. In contrast to FF-K30 formulations, FF release and stability with K12 were significantly influenced by the extrusion temperature and screw speed.

Atmospheric Fossil Fuel CO2 Traced by Δ(14)C in Beijing and Xiamen, China: Temporal Variations, Inland/Coastal Differences and Influencing Factors.

PubMed

Niu, Zhenchuan; Zhou, Weijian; Wu, Shugang; Cheng, Peng; Lu, Xuefeng; Xiong, Xiaohu; Du, Hua; Fu, Yunchong; Wang, Gehui

2016-06-07

One year of atmospheric Δ(14)CO2 were observed in 2014 in the inland city of Beijing and coastal city of Xiamen, China, to trace temporal CO2ff variations and to determine the factors influencing them. The average CO2ff concentrations at the sampling sites in Beijing and Xiamen were 39.7 ± 36.1 ppm and 13.6 ± 12.3 ppm, respectively. These contributed 75.2 ± 14.6% and 59.1 ± 26.8% to their respective annual ΔCO2 offsets over background CO2 concentrations. Significantly (p < 0.05) high CO2ff values were observed in winter in Beijing. We did not find any significant differences in CO2ff values between weekdays and weekends. Diurnal CO2ff variations were plainly evident, with high values between midnight and 4:00, and during morning and afternoon rush hours. The sampling site in the inland city of Beijing displayed much higher CO2ff inputs and overall temporal variations than the site in the coastal city of Xiamen. The variations of CO2ff at both sites were controlled by a combination of emission sources, topography, and atmospheric dispersion. In particular, diurnal observations at the urban site in Beijing showed that CO2ff was easily accumulated under the southeast wind conditions.

Interpersonal brain synchronization in the right temporo-parietal junction during face-to-face economic exchange.

PubMed

Tang, Honghong; Mai, Xiaoqin; Wang, Shun; Zhu, Chaozhe; Krueger, Frank; Liu, Chao

2016-01-01

In daily life, interpersonal interactions are influenced by uncertainty about other people's intentions. Face-to-face (FF) interaction reduces such uncertainty by providing external visible cues such as facial expression or body gestures and facilitates shared intentionality to promote belief of cooperative decisions and actual cooperative behaviors in interaction. However, so far little is known about interpersonal brain synchronization between two people engaged in naturally occurring FF interactions. In this study, we combined an adapted ultimatum game with functional near-infrared spectroscopy (fNIRS) hyperscanning to investigate how FF interaction impacts interpersonal brain synchronization during economic exchange. Pairs of strangers interacted repeatedly either FF or face-blocked (FB), while their activation was simultaneously measured in the right temporo-parietal junction (rTPJ) and the control region, right dorsolateral prefrontal cortex (rDLPFC). Behaviorally, FF interactions increased shared intentionality between strangers, leading more positive belief of cooperative decisions and more actual gains in the game. FNIRS results indicated increased interpersonal brain synchronizations during FF interactions in rTPJ (but not in rDLPFC) with greater shared intentionality between partners. These results highlighted the importance of rTPJ in collaborative social interactions during FF economic exchange and warrant future research that combines FF interactions with fNIRS hyperscanning to study social brain disorders such as autism. © The Author (2015). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

The General Amino Acid Permease FfGap1 of Fusarium fujikuroi Is Sorted to the Vacuole in a Nitrogen-Dependent, but Npr1 Kinase-Independent Manner

PubMed Central

Pfannmüller, Andreas; Wagner, Dominik; Sieber, Christian; Schönig, Birgit; Boeckstaens, Mélanie; Marini, Anna Maria; Tudzynski, Bettina

2015-01-01

The rice pathogenic fungus Fusarium fujikuroi is well known for the production of a broad spectrum of secondary metabolites (SMs) such as gibberellic acids (GAs), mycotoxins and pigments. The biosynthesis of most of these SMs strictly depends on nitrogen availability and of the activity of permeases of nitrogen sources, e.g. the ammonium and amino acid permeases. One of the three ammonium permeases, MepB, was recently shown to act not only as a transporter but also as a nitrogen sensor affecting the production of nitrogen-repressed SMs. Here we describe the identification of a general amino acid permease, FfGap1, among the 99 putative amino acid permeases (AAPs) in the genome of F. fujikuroi. FfGap1 is able to fully restore growth of the yeast gap1∆ mutant on several amino acids including citrulline and tryptophane. In S. cerevisiae, Gap1 activity is regulated by shuttling between the plasma membrane (nitrogen limiting conditions) and the vacuole (nitrogen sufficiency), which we also show for FfGap1. In yeast, the Npr1 serine/threonine kinase stabilizes the Gap1 position at the plasma membrane. Here, we identified and characterized three NPR1-homologous genes, encoding the putative protein kinases FfNpr1-1, FfNpr1-2 and FfNpr1-3 with significant similarity to yeast Npr1. Complementation of the yeast npr1Δ mutant with each of the three F. fujikuroi NPR1 homologues, resulted in partial restoration of ammonium, arginine and proline uptake by FfNPR1-1 while none of the three kinases affect growth on different nitrogen sources and nitrogen-dependent sorting of FfGap1 in F. fujikuroi. However, exchange of the putative ubiquitin-target lysine 9 (K9A) and 15 (K15A) residues of FfGap1 resulted in extended localization to the plasma membrane and increased protein stability independently of nitrogen availability. These data suggest a similar regulation of FfGap1 by nitrogen-dependent ubiquitination, but differences regarding the role of Fusarium Npr1 homologues compared to yeast. PMID:25909858

Screening biological methods for laboratory scale stabilization of fine fraction from landfill mining.

PubMed

Mönkäre, Tiina J; Palmroth, Marja R T; Rintala, Jukka A

2017-02-01

Increasing interest for the landfill mining and the amount of fine fraction (FF) in landfills (40-70% (w/w) of landfill content) mean that sustainable treatment and utilization methods for FF are needed. For this study FF (<20mm) was mined from a municipal solid waste (MSW) landfill operated from 1967 to 1989. FF, which resembles soil, was stabilized in laboratory scale reactors in two phases: first, anaerobically for 101days and second, for 72days using four different methods: anaerobic with the addition of moisture (water) or inoculum (sewage sludge) and aerobic with continuous water washing, with, or without, bulking material. The aim was to evaluate the effect on the stability of mined FF, which has been rarely reported, and to study the quality and quantity of gas and leachate produced during the stabilization experiment. The study showed that aerobic treatment reduced respiration activity (final values 0.9-1.1mgO 2 /gTS) and residual methane potential (1.1LCH 4 /kgTS) better than anaerobic methods (1.8-2.3mg O 2 /g TS and 1.3-2.4L CH 4 /kg TS, respectively). Bulking material mixed in FF in one aerobic reactor had no effect on the stability of FF. The benefit of anaerobic treatment was the production of methane, which could be utilized as energy. Even though the inoculum addition increased methane production from FF about 30%, but the methane production was still relatively low (in total 1.5-1.7L CH 4 /kg TS). Continuous water washing was essential to remove leachable organic matter and soluble nutrients from FF, while increasing the volume of leachate collected. In the aerobic treatment, nitrogen was oxidized into nitrite and nitrate and then washed out in the leachate. Both anaerobic and aerobic methods could be used for FF stabilization. The use of FF, in landscaping for example, is possible because its nutrient content (4gN/kg TS and 1g P/kg TS) can increase the nutrient content of soil, but this may have limitations due to the possible presence of heavy metal and other contaminants. Copyright © 2016 Elsevier Ltd. All rights reserved.

Combining near- and far-field exposure for an organ-specific and whole-body RF-EMF proxy for epidemiological research: a reference case.

PubMed

Lauer, Oliver; Frei, Patrizia; Gosselin, Marie-Christine; Joseph, Wout; Röösli, Martin; Fröhlich, Jürg

2013-07-01

A framework for the combination of near-field (NF) and far-field (FF) radio frequency electromagnetic exposure sources to the average organ and whole-body specific absorption rates (SARs) is presented. As a reference case, values based on numerically derived SARs for whole-body and individual organs and tissues are combined with realistic exposure data, which have been collected using personal exposure meters during the Swiss Qualifex study. The framework presented can be applied to any study region where exposure data is collected by appropriate measurement equipment. Based on results derived from the data for the region of Basel, Switzerland, the relative importance of NF and FF sources to the personal exposure is examined for three different study groups. The results show that a 24-h whole-body averaged exposure of a typical mobile phone user is dominated by the use of his or her own mobile phone when a Global System for Mobile Communications (GSM) 900 or GSM 1800 phone is used. If only Universal Mobile Telecommunications System (UMTS) phones are used, the user would experience a lower exposure level on average caused by the lower average output power of UMTS phones. Data presented clearly indicate the necessity of collecting band-selective exposure data in epidemiological studies related to electromagnetic fields. Copyright © 2013 Wiley Periodicals, Inc.

Full-Field Calcium K-Edge X-ray Absorption Near-Edge Structure Spectroscopy on Cortical Bone at the Micron-Scale: Polarization Effects Reveal Mineral Orientation.

PubMed

Hesse, Bernhard; Salome, Murielle; Castillo-Michel, Hiram; Cotte, Marine; Fayard, Barbara; Sahle, Christoph J; De Nolf, Wout; Hradilova, Jana; Masic, Admir; Kanngießer, Birgit; Bohner, Marc; Varga, Peter; Raum, Kay; Schrof, Susanne

2016-04-05

Here, we show results on X-ray absorption near edge structure spectroscopy in both transmission and X-ray fluorescence full-field mode (FF-XANES) at the calcium K-edge on human bone tissue in healthy and diseased conditions and for different tissue maturation stages. We observe that the dominating spectral differences originating from different tissue regions, which are well pronounced in the white line and postedge structures are associated with polarization effects. These polarization effects dominate the spectral variance and must be well understood and modeled before analyzing the very subtle spectral variations related to the bone tissue variations itself. However, these modulations in the fine structure of the spectra can potentially be of high interest to quantify orientations of the apatite crystals in highly structured tissue matrices such as bone. Due to the extremely short wavelengths of X-rays, FF-XANES overcomes the limited spatial resolution of other optical and spectroscopic techniques exploiting visible light. Since the field of view in FF-XANES is rather large the acquisition times for analyzing the same region are short compared to, for example, X-ray diffraction techniques. Our results on the angular absorption dependence were verified by both site-matched polarized Raman spectroscopy, which has been shown to be sensitive to the orientation of bone building blocks and by mathematical simulations of the angular absorbance dependence. As an outlook we further demonstrate the polarization based assessment of calcium-containing crystal orientation and specification of calcium in a beta-tricalcium phosphate (β-Ca3(PO4)2 scaffold implanted into ovine bone. Regarding the use of XANES to assess chemical properties of Ca in human bone tissue our data suggest that neither the anatomical site (tibia vs jaw) nor pathology (healthy vs necrotic jaw bone tissue) affected the averaged spectral shape of the XANES spectra.

Automation of a Linear Accelerator Dosimetric Quality Assurance Program

NASA Astrophysics Data System (ADS)

Lebron Gonzalez, Sharon H.

According to the American Society of Radiation Oncology, two-thirds of all cancer patients will receive radiation therapy during their illness with the majority of the treatments been delivered by a linear accelerator (linac). Therefore, quality assurance (QA) procedures must be enforced in order to deliver treatments with a machine in proper conditions. The overall goal of this project is to automate the linac's dosimetric QA procedures by analyzing and accomplishing various tasks. First, the photon beam dosimetry (i.e. total scatter correction factor, infinite percentage depth dose (PDD) and profiles) were parameterized. Parameterization consists of defining the parameters necessary for the specification of a dosimetric quantity model creating a data set that is portable and easy to implement for different applications including: beam modeling data input into a treatment planning system (TPS), comparing measured and TPS modelled data, the QA of a linac's beam characteristics, and the establishment of a standard data set for comparison with other data, etcetera. Second, this parameterization model was used to develop a universal method to determine the radiation field size of flattened (FF), flattening-filter-free (FFF) and wedge beams which we termed the parameterized gradient method (PGM). Third, the parameterized model was also used to develop a profile-based method for assessing the beam quality of photon FF and FFF beams using an ionization chamber array. The PDD and PDD change was also predicted from the measured profile. Lastly, methods were created to automate the multileaf collimator (MLC) calibration and QA procedures as well as the acquisition of the parameters included in monthly and annual photon dosimetric QA. A two field technique was used for the calculation of the MLC leaf relative offsets using an electronic portal imaging device (EPID). A step-and-shoot technique was used to accurately acquire the radiation field size, flatness, symmetry, output and beam quality specifiers in a single delivery to an ionization chamber array for FF and FFF beams.

Composite Structural Analysis of Flat-Back Shaped Blade for Multi-MW Class Wind Turbine

NASA Astrophysics Data System (ADS)

Kim, Soo-Hyun; Bang, Hyung-Joon; Shin, Hyung-Ki; Jang, Moon-Seok

2014-06-01

This paper provides an overview of failure mode estimation based on 3D structural finite element (FE) analysis of the flat-back shaped wind turbine blade. Buckling stability, fiber failure (FF), and inter-fiber failure (IFF) analyses were performed to account for delamination or matrix failure of composite materials and to predict the realistic behavior of the entire blade region. Puck's fracture criteria were used for IFF evaluation. Blade design loads applicable to multi-megawatt (MW) wind turbine systems were calculated according to the Germanischer Lloyd (GL) guideline and the International Electrotechnical Commission (IEC) 61400-1 standard, under Class IIA wind conditions. After the post-processing of final load results, a number of principal load cases were selected and converted into applied forces at the each section along the blade's radius of the FE model. Nonlinear static analyses were performed for laminate failure, FF, and IFF check. For buckling stability, linear eigenvalue analysis was performed. As a result, we were able to estimate the failure mode and locate the major weak point.

Atmospheric fossil fuel CO2 traced by 14CO2 and air quality index pollutant observations in Beijing and Xiamen, China.

PubMed

Niu, Zhenchuan; Zhou, Weijian; Feng, Xue; Feng, Tian; Wu, Shugang; Cheng, Peng; Lu, Xuefeng; Du, Hua; Xiong, Xiaohu; Fu, Yunchong

2018-06-01

Radiocarbon ( 14 C) is the most accurate tracer available for quantifying atmospheric CO 2 derived from fossil fuel (CO 2ff ), but it is expensive and time-consuming to measure. Here, we used common hourly Air Quality Index (AQI) pollutants (AQI, PM 2.5 , PM 10 , and CO) to indirectly trace diurnal CO 2ff variations during certain days at the urban sites in Beijing and Xiamen, China, based on linear relationships between AQI pollutants and CO 2ff traced by 14 C ([Formula: see text]) for semimonthly samples obtained in 2014. We validated these indirectly traced CO 2ff (CO 2ff-in ) concentrations against [Formula: see text] concentrations traced by simultaneous diurnal 14 CO 2 observations. Significant (p < 0.05) strong correlations were observed between each of the separate AQI pollutants and [Formula: see text] for the semimonthly samples. Diurnal variations in CO 2ff traced by each of the AQI pollutants generally showed similar trends to those of [Formula: see text], with high agreement at the sampling site in Beijing and relatively poor agreement at the sampling site in Xiamen. AQI pollutant tracers showed high normalized root-mean-square (NRMS) errors for the summer diurnal samples due to low [Formula: see text] concentrations. After the removal of these summer samples, the NRMS errors for AQI pollutant tracers were in the range of 31.6-64.2%. CO generally showed a high agreement and low NRMS errors among these indirect tracers. Based on these linear relationships, monthly CO 2ff averages at the sampling sites in Beijing and Xiamen were traced using CO concentration as a tracer. The monthly CO 2ff averages at the Beijing site showed a shallow U-type variation. These results indicate that CO can be used to trace CO 2ff variations in Chinese cities with CO 2ff concentrations above 5 ppm.

Fluticasone furoate/vilanterol once daily improves night-time awakenings in asthma patients with night symptoms; post-hoc analyses of three randomized controlled trials.

PubMed

Kerwin, Edward; Barnes, Neil; Gibbs, Michael; Leather, David; Forth, Richard; Jacques, Loretta; Yates, Louisa J

2017-08-07

Symptoms, including night-time awakenings, affect the quality of life of people with asthma. Fluticasone furoate/vilanterol (FF/VI) reduces exacerbations, improves lung function, and rescue-free and symptom-free 24-hour periods in patients with asthma. These post-hoc analyses compared daytime and night-time symptoms in patients with asthma who received FF/VI, versus FF, fluticasone propionate (FP) or placebo. Daytime and night-time symptoms were collected via electronic daily diary cards in three Phase III randomized studies of once-daily FF/VI in patients with uncontrolled asthma on inhaled corticosteroids (ICS) ±long-acting beta 2 -agonists (LABA) (n = 609/1039/586). Endpoints included: change from baseline in symptom-free days and nights (analyzed by Analysis of Covariance, covariates: baseline, region, sex, age, treatment), time for patients to achieve 7 consecutive symptom-free nights (analyzed by Cox proportional hazards model, covariates as above), and proportion of patients experiencing 100% symptom-free nights per week (analyzed by logistic regression, covariates: percentage of symptom-free nights, sex, age, treatment). Improvements in symptom-free days and nights were generally observed for all treatments. More patients who received FF/VI experienced 100% symptom-free nights in the last week of the treatment period than patients who received ICS alone or placebo. FF/VI also reduced time to 7 consecutive symptom-free nights. Patients with at least one night of symptoms at baseline experienced an additional 2.7 and 2.0 symptom-free nights per week with FF/VI 100/25 µg, versus 1.9 and 1.7 with FF alone; similar findings were seen with FF/VI 200/25 µg. Benefits in terms of symptom-free days and nights were observed for patients receiving FF/VI versus comparators in these post-hoc analyses.

Structural Shielding Design of a 6 MV Flattening Filter Free Linear Accelerator: Indian Scenario.

PubMed

Mishra, Bibekananda; Selvam, T Palani; Sharma, P K Dash

2017-01-01

Detailed structural shielding of primary and secondary barriers for a 6 MV medical linear accelerator (LINAC) operated with flattening filter (FF) and flattening filter free (FFF) modes are calculated. The calculations have been carried out by two methods, one using the approach given in National Council on Radiation Protection (NCRP) Report No. 151 and the other based on the monitor units (MUs) delivered in clinical practice. Radiation survey of the installations was also carried out. NCRP approach suggests that the primary and secondary barrier thicknesses are higher by 24% and 26%. respectively, for a LINAC operated in FF mode to that of a LINAC operated in both FF and FFF modes with an assumption that only 20% of the workload is shared in FFF mode. Primary and secondary barrier thicknesses calculated from MUs delivered on clinical practice method also show the same trend and are higher by 20% and 19%, respectively, for a LINAC operated in FF mode to that of a LINAC operated in both FF and FFF modes. Overall, the barrier thickness for a LINAC operated in FF mode is higher about 20% to that of a LINAC operated in both FF and FFF modes.

Structural Shielding Design of a 6 MV Flattening Filter Free Linear Accelerator: Indian Scenario

PubMed Central

Mishra, Bibekananda; Selvam, T. Palani; Sharma, P. K. Dash

2017-01-01

Detailed structural shielding of primary and secondary barriers for a 6 MV medical linear accelerator (LINAC) operated with flattening filter (FF) and flattening filter free (FFF) modes are calculated. The calculations have been carried out by two methods, one using the approach given in National Council on Radiation Protection (NCRP) Report No. 151 and the other based on the monitor units (MUs) delivered in clinical practice. Radiation survey of the installations was also carried out. NCRP approach suggests that the primary and secondary barrier thicknesses are higher by 24% and 26%. respectively, for a LINAC operated in FF mode to that of a LINAC operated in both FF and FFF modes with an assumption that only 20% of the workload is shared in FFF mode. Primary and secondary barrier thicknesses calculated from MUs delivered on clinical practice method also show the same trend and are higher by 20% and 19%, respectively, for a LINAC operated in FF mode to that of a LINAC operated in both FF and FFF modes. Overall, the barrier thickness for a LINAC operated in FF mode is higher about 20% to that of a LINAC operated in both FF and FFF modes. PMID:28405104

Information Hiding based Trusted Computing System Design

DTIC Science & Technology

2014-07-18

ABSTRACT 15. SUBJECT TERMS 18. NUMBER OF PAGES 19a. NAME OF RESPONSIBLE PERSON a. REPORT b . ABSTRACT c. THIS PAGE 17. LIMITATION OF...system with two flip flops (FF) and some logic gates (Figure 1 ( b )). First, from Figure 1(a), we see that when the system is at state B and input is 0...FF2 is 1, which reflects the current state B , if input = 0, we can easily verify that FF1 remains unchanged, but FF2 changes to 0. This means that

Laser Cooling and Slowing of a Diatomic Molecule

DTIC Science & Technology

2013-12-01

mirror ( Semrock , FF669-Di01) before passing through the interaction region along the 3 mm axis of the slit. Windows are home-made Brewster windows (See... Semrock FF669-Di01 and Semrock FF741-Di01) and a polarizing beam splitter (PBS) to produce a single beam with 1e2 full width intensity waist d = 3.4 mm...pixels as possible, thereby reducing read noise and dark current noise. Behind the camera lens is a single interference filter ( Semrock , FF01-650/60, 24

SU-F-I-73: Surface Dose from KV Diagnostic Beams From An On-Board Imager On a Linac Machine Using Different Imaging Techniques and Filters

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

Ali, I; Hossain, S; Syzek, E

Purpose: To quantitatively investigate the surface dose deposited in patients imaged with a kV on-board-imager mounted on a radiotherapy machine using different clinical imaging techniques and filters. Methods: A high sensitivity photon diode is used to measure the surface dose on central-axis and at an off-axis-point which is mounted on the top of a phantom setup. The dose is measured for different imaging techniques that include: AP-Pelvis, AP-Head, AP-Abdomen, AP-Thorax, and Extremity. The dose measurements from these imaging techniques are combined with various filtering techniques that include: no-filter (open-field), half-fan bowtie (HF), full-fan bowtie (FF) and Cu-plate filters. The relativemore » surface dose for different imaging and filtering techniques is evaluated quantiatively by the ratio of the dose relative to the Cu-plate filter. Results: The lowest surface dose is deposited with the Cu-plate filter. The highest surface dose deposited results from open fields without filter and it is nearly a factor of 8–30 larger than the corresponding imaging technique with the Cu-plate filter. The AP-Abdomen technique delivers the largest surface dose that is nearly 2.7 times larger than the AP-Head technique. The smallest surface dose is obtained from the Extremity imaging technique. Imaging with bowtie filters decreases the surface dose by nearly 33% in comparison with the open field. The surface doses deposited with the HF or FF-bowtie filters are within few percentages. Image-quality of the radiographic images obtained from the different filtering techniques is similar because the Cu-plate eliminates low-energy photons. The HF- and FF-bowtie filters generate intensity-gradients in the radiographs which affects image-quality in the different imaging technique. Conclusion: Surface dose from kV-imaging decreases significantly with the Cu-plate and bowtie-filters compared to imaging without filters using open-field beams. The use of Cu-plate filter does not affect image-quality and may be used as the default in the different imaging techniques.« less

The interaction of metergoline, a 5-HT receptor blocker, and dexfenfluramine in human feeding.

PubMed

Goodall, E; Silverstone, T

1988-01-01

Use of the 5-HT antagonist metergoline (MTG) has shown that dexfenfluramine (d-FF) influences food intake in animals via serotoninergic neurones. This study examined the interaction between d-FF and MTG in humans. Healthy male volunteers reported singly at 8:45 A.M. on four weekly occasions following an overnight fast. At 9:00 A.M. they received 30 mg d-FF or matching placebo and at 11:00 A.M. 4 mg MTG or placebo. Hunger and satiety were assessed hourly using visual analog scales (VAS). Subjects had access to a 4-channel automated food dispenser (AFD) from 1:15 to 3:15 P.M. Delivery and recording of each portion of known energy value was contingent on an appropriate button push. Subjects were offered two nonsweet snacks, plus fruit and a chocolate biscuit chosen to each subject's preference. Results for 13 subjects are reported. d-FF reduced hunger VAS, MTG had no effect on hunger and did not attenuate the effect of d-FF. d-FF reduced total food intake by 1306 kJ (312 kcal p less than 0.01) at 120 min. MTG increased food intake and attenuated the effect of d-FF on food intake but not significantly. d-FF markedly reduced the intake of nonsweet food; this was attenuated by MTG which alone had no effect on nonsweet food. d-FF had no effect on the intake of sweet tasting food during the first hour; by 120 min it had reduced energy intake by 342 kJ (82 kcal, t = 1.34, n.s.).(ABSTRACT TRUNCATED AT 250 WORDS)

Preparation, characterization, and pharmacokinetics of tilmicosin- and florfenicol-loaded hydrogenated castor oil-solid lipid nanoparticles.

PubMed

Ling, Z; Yonghong, L; Changqing, S; Junfeng, L; Li, Z; Chunyu, J; Xianqiang, L

2017-06-01

To effectively control bovine mastitis, tilmicosin (TIL)- and florfenicol (FF)-loaded solid lipid nanoparticles (SLN) with hydrogenated castor oil (HCO) were prepared by a hot homogenization and ultrasonication method. In vitro antibacterial activity, properties, and pharmacokinetics of the TIL-FF-SLN were studied. The results demonstrated that TIL and FF had a synergistic or additive antibacterial activity against Streptococcus dysgalactiae, Streptococcus uberis, and Streptococcus agalactiae. The size, polydispersity index, and zeta potential of nanoparticles were 289.1 ± 13.7 nm, 0.31 ± 0.05, and -26.7 ± 1.3 mV, respectively. The encapsulation efficiencies for TIL and FF were 62.3 ± 5.9% and 85.1 ± 5.2%, and the loading capacities for TIL and FF were 8.2 ± 0.6% and 3.3 ± 0.2%, respectively. The TIL-FF-SLN showed no irritation in the injection site and sustained release in vitro. After medication, TIL and FF could maintain about 0.1 μg/mL for 122 and 6 h. Compared to the control solution, the SLN increased the area under the concentration-time curve (AUC 0-t ), elimination half-life (T ½ke ), and mean residence time (MRT) of TIL by 33.09-, 23.29-, and 37.53-fold, and 1.69-, 5.00-, and 3.83-fold for FF, respectively. These results of this exploratory study suggest that the HCO-SLN could be a useful system for the delivery of TIL and FF for bovine mastitis therapy. © 2016 John Wiley & Sons Ltd.

Child-targeted fast-food television advertising exposure is linked with fast-food intake among pre-school children.

PubMed

Dalton, Madeline A; Longacre, Meghan R; Drake, Keith M; Cleveland, Lauren P; Harris, Jennifer L; Hendricks, Kristy; Titus, Linda J

2017-06-01

To determine whether exposure to child-targeted fast-food (FF) television (TV) advertising is associated with children's FF intake in a non-experimental setting. Cross-sectional survey conducted April-December 2013. Parents reported their pre-school child's TV viewing time, channels watched and past-week FF consumption. Responses were combined with a list of FF commercials (ads) aired on children's TV channels during the same period to calculate children's exposure to child-targeted TV ads for the following chain FF restaurants: McDonald's, Subway and Wendy's (MSW). Paediatric and Women, Infants, and Children (WIC) clinics in New Hampshire, USA. Parents (n 548) with a child of pre-school age. Children's mean age was 4·4 years; 43·2 % ate MSW in the past week. Among the 40·8 % exposed to MSW ads, 23·3 % had low, 34·2 % moderate and 42·5 % high exposure. McDonald's accounted for over 70 % of children's MSW ad exposure and consumption. Children's MSW consumption was significantly associated with their ad exposure, but not overall TV viewing time. After adjusting for demographics, socio-economic status and other screen time, moderate MSW ad exposure was associated with a 31 % (95 % CI 1·12, 1·53) increase and high MSW ad exposure with a 26 % (95 % CI 1·13, 1·41) increase in the likelihood of consuming MSW in the past week. Further adjustment for parent FF consumption did not change the findings substantially. Exposure to child-targeted FF TV advertising is positively associated with FF consumption among children of pre-school age, highlighting the vulnerability of young children to persuasive advertising and supporting recommendations to limit child-directed FF marketing.

Free energy profile of RNA hairpins: a molecular dynamics simulation study.

PubMed

Deng, Nan-Jie; Cieplak, Piotr

2010-02-17

RNA hairpin loops are one of the most abundant secondary structure elements and participate in RNA folding and protein-RNA recognition. To characterize the free energy surface of RNA hairpin folding at an atomic level, we calculated the potential of mean force (PMF) as a function of the end-to-end distance, by using umbrella sampling simulations in explicit solvent. Two RNA hairpins containing tetraloop cUUCGg and cUUUUg are studied with AMBER ff99 and CHARMM27 force fields. Experimentally, the UUCG hairpin is known to be significantly more stable than UUUU. In this study, the calculations using AMBER force field give a qualitatively correct description for the folding of two RNA hairpins, as the calculated PMF confirms the global stability of the folded structures and the resulting relative folding free energy is in quantitative agreement with the experimental result. The hairpin stabilities are also correctly differentiated by the more rapid molecular mechanics-Poisson Boltzmann-surface area approach, but the relative free energy estimated from this method is overestimated. The free energy profile shows that the native state basin and the unfolded state plateau are separated by a wide shoulder region, which samples a variety of native-like structures with frayed terminal basepair. The calculated PMF lacks major barriers that are expected near the transition regions, and this is attributed to the limitation of the 1-D reaction coordinate. The PMF results are compared with other studies of small RNA hairpins using kinetics method and coarse grained models. The two RNA hairpins described by CHARMM27 are significantly more deformable than those represented by AMBER. Compared with the AMBER results, the CHARMM27 calculated DeltaG(fold) for the UUUU tetraloop is in better agreement with the experimental results. However, the CHARMM27 calculation does not confirm the global stability of the experimental UUCG structure; instead, the extended conformations are predicted to be thermodynamically stable in solution. This finding is further supported by separate unrestrained CHARMM27 simulations, in which the UUCG hairpin unfolds spontaneously within 10 ns. The instability of the UUCG hairpin originates from the loop region, and propagates to the stem. The results of this study provide a molecular picture of RNA hairpin unfolding and reveal problems in the force field descriptions for the conformational energy of certain RNA hairpin. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

Vener, M. V., E-mail: mikhail.vener@gmail.com; Odinokov, A. V.; Wehmeyer, C.

Salt bridges and ionic interactions play an important role in protein stability, protein-protein interactions, and protein folding. Here, we provide the classical MD simulations of the structure and IR signatures of the arginine (Arg)–glutamate (Glu) salt bridge. The Arg-Glu model is based on the infinite polyalanine antiparallel two-stranded β-sheet structure. The 1 μs NPT simulations show that it preferably exists as a salt bridge (a contact ion pair). Bidentate (the end-on and side-on structures) and monodentate (the backside structure) configurations are localized [Donald et al., Proteins 79, 898–915 (2011)]. These structures are stabilized by the short {sup +}N–H⋯O{sup −} bonds.more » Their relative stability depends on a force field used in the MD simulations. The side-on structure is the most stable in terms of the OPLS-AA force field. If AMBER ff99SB-ILDN is used, the backside structure is the most stable. Compared with experimental data, simulations using the OPLS all-atom (OPLS-AA) force field describe the stability of the salt bridge structures quite realistically. It decreases in the following order: side-on > end-on > backside. The most stable side-on structure lives several nanoseconds. The less stable backside structure exists a few tenth of a nanosecond. Several short-living species (solvent shared, completely separately solvated ionic groups ion pairs, etc.) are also localized. Their lifetime is a few tens of picoseconds or less. Conformational flexibility of amino acids forming the salt bridge is investigated. The spectral signature of the Arg-Glu salt bridge is the IR-intensive band around 2200 cm{sup −1}. It is caused by the asymmetric stretching vibrations of the {sup +}N–H⋯O{sup −} fragment. Result of the present paper suggests that infrared spectroscopy in the 2000–2800 frequency region may be a rapid and quantitative method for the study of salt bridges in peptides and ionic interactions between proteins. This region is usually not considered in spectroscopic studies of peptides and proteins.« less

Light and portable novel device for diabetic retinopathy screening.

PubMed

Ting, Daniel S W; Tay-Kearney, Mei Ling; Kanagasingam, Yogesan

2012-01-01

To validate the use of an economical portable multipurpose ophthalmic imaging device, EyeScan (Ophthalmic Imaging System, Sacramento, CA, USA), for diabetic retinopathy screening. Evaluation of a diagnostic device. One hundred thirty-six (272 eyes) were recruited from diabetic retinopathy screening clinic of Royal Perth Hospital, Western Australia, Australia. All patients underwent three-field (optic disc, macular and temporal view) mydriatic retinal digital still photography captured by EyeScan and FF450 plus (Carl Zeiss Meditec, North America) and were subsequently examined by a senior consultant ophthalmologist using the slit-lamp biomicroscopy (reference standard). All retinal images were interpreted by a consultant ophthalmologist and a medical officer. The sensitivity, specificity and kappa statistics of EyeScan and FF450 plus with reference to the slit-lamp examination findings by a senior consultant ophthalmologist. For detection of any grade of diabetic retinopathy, EyeScan had a sensitivity and specificity of 93 and 98%, respectively (ophthalmologist), and 92 and 95%, respectively (medical officer). In contrast, FF450 plus images had a sensitivity and specificity of 95 and 99%, respectively (ophthalmologist), and 92 and 96%, respectively (medical officer). The overall kappa statistics for diabetic retinopathy grading for EyeScan and FF450 plus were 0.93 and 0.95 for ophthalmologist and 0.88 and 0.90 for medical officer, respectively. Given that the EyeScan requires minimal training to use and has excellent diagnostic accuracy in screening for diabetic retinopathy, it could be potentially utilized by the primary eye care providers to widely screen for diabetic retinopathy in the community. © 2011 The Authors. Clinical and Experimental Ophthalmology © 2011 Royal Australian and New Zealand College of Ophthalmologists.

Finite Element Analysis Of Influence Of Flank Wear Evolution On Forces In Orthogonal Cutting Of 42CrMo4 Steel

NASA Astrophysics Data System (ADS)

Madajewski, Marek; Nowakowski, Zbigniew

2017-01-01

This paper presents analysis of flank wear influence on forces in orthogonal turning of 42CrMo4 steel and evaluates capacity of finite element model to provide such force values. Data about magnitude of feed and cutting force were obtained from measurements with force tensiometer in experimental test as well as from finite element analysis of chip formation process in ABAQUS/Explicit software. For studies an insert with complex rake face was selected and flank wear was simulated by grinding operation on its flank face. The aim of grinding inset surface was to obtain even flat wear along cutting edge, which after the measurement could be modeled with CAD program and applied in FE analysis for selected range of wear width. By comparing both sets of force values as function of flank wear in given cutting conditions FEA model was validated and it was established that it can be applied to analyze other physical aspects of machining. Force analysis found that progression of wear causes increase in cutting force magnitude and steep boost to feed force magnitude. Analysis of Fc/Ff force ratio revealed that flank wear has significant impact on resultant force in orthogonal cutting and magnitude of this force components in cutting and feed direction. Surge in force values can result in transfer of substantial loads to machine-tool interface.

Follicular fluid total antioxidant capacity levels in PCOS.

PubMed

Yilmaz, Nafiye; Inal, Hasan Ali; Gorkem, Umit; Sargin Oruc, Ayla; Yilmaz, Saynur; Turkkani, Ayten

2016-07-01

In this study, our aim was to assess total antioxidant capacity (TAC) levels in follicular fluid (FF) and their relationship to clinical pregnancy rates in PCOS patients undergoing assisted reproduction (ART). Twenty-two women with polycystic ovary syndrome (PCOS) (Group 1) and 41 women without PCOS (Group 2) were included in this study. Clinical and laboratory parameters and FF TAC levels were investigated. No statistically significant differences were found between the groups with regard to age and baseline parameters. Although we could not demonstrate a significant difference in FF TAC levels between the two groups (p=0.469), there was a significant positive correlation between FF TAC and clinical pregnancy rates, BMI, and the duration of infertility for the entire group (r=0.254, p=0.048; r=0.312, p=0.013; r=0.259, p=0.040; respectively). Owing to the correlation between FF TAC and the clinical pregnancy rates, further studies evaluating the impact of FF TAC levels on ART outcomes in patients with PCOS and other etiologies of infertility are needed.

PCOS women show significantly higher homocysteine level, independent to glucose and E2 level

PubMed Central

Eskandari, Zahra; Sadrkhanlou, Rajab-Ali; Nejati, Vahid; Tizro, Gholamreza

2016-01-01

Background: It is reasonable to think that some biochemical characteristics of follicular fluid (FF) surrounding the oocyte may play a critical role in determining the quality of oocyte and the subsequent potential needed to achieve fertilization and embryo development. Objective: This study was carried out to evaluate the levels of FF homocysteine (Hcy) in IVF candidate polycystic ovary syndrome (PCOS) women and any relationships with FF glucose and estradiol (E2) levels. Materials and Methods: In this case control study which was performed in Dr. Tizro Day Care and IVF Center 70 infertile patients were enrolled in two groups: comprising 35 PCOS and 35 non PCOS women. Long protocol was performed for all patients. FF Hcy, glucose and E2 levels were analyzed at the time of oocyte retrieval. Results: It was observed that FF Hcy level was significantly higher in PCOS patients compared with non PCOSs (p<0.01). Observations demonstrated that in PCOS group, the Hcy level increased independent to E2, glucose levels, BMI and age, while the PCOS group showed significantly higher BMI compared with non-PCOS group (p=0.03). However, no significant differences were revealed between groups for FF glucose and E2 levels. Conclusion: Present data showed that although FF glucose and E2 levels were constant in PCOS and non PCOS patients, but the FF Hcy levels in PCOS were significantly increased (p=0.01). PMID:27679823

Rapid and high-resolution imaging of human liver specimens by full-field optical coherence tomography

NASA Astrophysics Data System (ADS)

Zhu, Yue; Gao, Wanrong; Zhou, Yuan; Guo, Yingcheng; Guo, Feng; He, Yong

2015-11-01

We report rapid and high-resolution tomographic en face imaging of human liver specimens by full-field optical coherence tomography (FF-OCT). First, the arrangement of the FF-OCT system was described and the performance of the system was measured. The measured axial and lateral resolutions of the system are 0.8 and 0.9 μm, respectively. The system has a sensitivity of ˜60 dB and can achieve an imaging rate of 7 fps and a penetration depth of ˜80 μm. The histological structures of normal liver can be seen clearly in the en face tomographic images, including central veins, cords of hepatocytes separated by sinusoidal spaces, and portal area (portal vein, the hepatic arteriole, and the bile duct). A wide variety of histological subtypes of hepatocellular carcinoma was observed in en face tomographic images, revealing notable cancerous features, including the nuclear atypia (enlarged convoluted nuclei), the polygonal tumor cells with obvious resemblance to hepatocytes with enlarged nuclei. In addition, thicker fibrous bands, which make the cytoplasmic plump vesicular nuclei indistinct, were also seen in the images. Finally, comparison between the portal vein in a normal specimen versus that seen in the rare type of cholangiocarcinoma was made. The results show that the cholangiocarcinoma presents with a blurred pattern of portal vein in the lateral direction and an aggregated distribution in the axial direction; the surrounding sinusoidal spaces and nuclei of cholangiocarcinoma are absent. The findings in this work may be used as additional signs of liver cancer or cholangiocarcinoma, demonstrating capacity of FF-OCT device for early cancer diagnosis and many other tumor-related studies in biopsy.

6. FF coal pulverizer (ball mill inside). GG building in ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

6. FF coal pulverizer (ball mill inside). GG building in background did preliminary crushing; pulverizer to left, coal conveyor and air cleaning towers to right; conveyor on left brought crushed coal to FF. Looking north/northeast - Rouge Steel Company, 3001 Miller Road, Dearborn, MI

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

Kuess, Peter, E-mail: Peter.kuess@meduniwien.ac.at

Purpose: For commercially available linear accelerators (Linacs), the electron energies of flattening filter free (FFF) and flattened (FF) beams are either identical or the electron energy of the FFF beam is increased to match the percentage depth dose curve (PDD) of the FF beam (in reference geometry). This study focuses on the primary dose components of FFF beams for both kinds of settings, studied on the same Linac. Methods: The measurements were conducted on a VersaHD Linac (Elekta, Crawley, UK) for both FF and FFF beams with nominal energies of 6 and 10 MV. In the clinical setting of themore » VersaHD, the energy of FFF{sub M} (Matched) beams is set to match the PDDs of the FF beams. In contrast the incident electron beam of the FFF{sub U} beam was set to the same energy as for the FF beam. Half value layers (HVLs) and a dual parameter beam quality specifier (DPBQS) were determined. Results: For the 6 MV FFF{sub M} beam, HVL and DPBQS values were very similar compared to those of the 6 MV FF beam, while for the 10 MV FFF{sub M} and FF beams, only %dd(10){sub x} and HVL values were comparable (differences below 1.5%). This shows that matching the PDD at one depth does not guarantee other beam quality dependent parameters to be matched. For FFF{sub U} beams, all investigated beam quality specifiers were significantly different compared to those for FF beams of the same nominal accelerator potential. The DPBQS of the 6 MV FF and FFF{sub M} beams was equal within the measurement uncertainty and was comparable to published data of a machine with similar TPR{sub 20,10} and %dd(10){sub x}. In contrast to that, the DPBQS’s two parameters of the 10 MV FFF{sub M} beam were substantially higher compared to those for the 10 MV FF beam. Conclusions: PDD-matched FF and FFF beams of both nominal accelerator potentials were observed to have similar HVL values, indicating similarity of their primary dose components. Using the DPBQS revealed that the mean attenuation coefficient was found to be the same within the uncertainty of 0.8% for 6 MV FF and 6 MV FFF{sub M} beams, while for 10 MV beams, they differed by 6.4%. This shows that the DPBQS can provide a differentiation of photon beam characteristics that would remain hidden by the use of a single beam quality specifier, such as %dd(10){sub x} or HVL.« less

Cluster Evolution at Early Stages of 1,3,5-Triamino-2,4,6-trinitrobenzene under Various Heating Conditions: A Molecular Reactive Force Field Study.

PubMed

Wen, Yushi; Xue, Xianggui; Long, Xinping; Zhang, Chaoyang

2016-06-09

We carried out reactive molecular dynamics simulations by ReaxFF to study the initial events of an insensitive high explosive 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) against various thermal stimuli including constant-temperature heating, programmed heating, and adiabatic heating to simulate TATB suffering from accidental heating in reality. Cluster evolution at the early stage of the thermal decomposition of condensed TATB was the main focus as cluster formation primarily occurs when TATB is heated. The results show that cluster formation is the balance of the competition of intermolecular collision and molecular decomposition of TATB, that is, an appropriate temperature and certain duration are required for cluster formation and preservation. The temperature in the range of 2000-3000 K was found to be optimum for fast formation and a period of preservation. Besides, the intra- and intermolecular H transfers are always favorable, whereas the C-NO2 partition was favorable at high temperature. The simulation results are helpful to deepen the insight into the thermal properties of condensed TATB.

Mechanisms of oriented attachment of TiO2 nanocrystals in vacuum and humid environments: reactive molecular dynamics.

PubMed

Raju, Muralikrishna; van Duin, Adri C T; Fichthorn, Kristen A

2014-01-01

Oriented attachment (OA) of nanocrystals is now widely recognized as a key process in the solution-phase growth of hierarchical nanostructures. However, the microscopic origins of OA remain unclear. We perform molecular dynamics simulations using a recently developed ReaxFF reactive force field to study the aggregation of various titanium dioxide (anatase) nanocrystals in vacuum and humid environments. In vacuum, the nanocrystals merge along their direction of approach, resulting in a polycrystalline material. By contrast, in the presence of water vapor the nanocrystals reorient themselves and aggregate via the OA mechanism to form a single or twinned crystal. They accomplish this by creating a dynamic network of hydrogen bonds between surface hydroxyls and surface oxygens of aggregating nanocrystals. We determine that OA is dominant on surfaces that have the greatest propensity to dissociate water. Our results are consistent with experiment, are likely to be general for aqueous oxide systems, and demonstrate the critical role of solvent in nanocrystal aggregation. This work opens up new possibilities for directing nanocrystal growth to fabricate nanomaterials with desired shapes and sizes.

The effects of simultaneous dual focus lenses on refractive development in infant monkeys.

PubMed

Arumugam, Baskar; Hung, Li-Fang; To, Chi-Ho; Holden, Brien; Smith, Earl L

2014-10-16

We investigated the effects of two simultaneously imposed, competing focal planes on refractive development in monkeys. Starting at 3 weeks of age and continuing until 150 ± 4 days of age, rhesus monkeys were reared with binocular dual-focus spectacle lenses. The treatment lenses had central 2-mm zones of zero power and concentric annular zones with alternating powers of +3.0 diopter [D] and plano (pL or 0 D) (n = 7; +3D/pL) or -3.0 D and plano (n = 7; -3D/pL). Retinoscopy, keratometry, and A-scan ultrasonography were performed every 2 weeks throughout the treatment period. For comparison purposes data were obtained from monkeys reared with full field (FF) +3.0 (n = 4) or -3.0 D (n = 5) lenses over both eyes and 33 control animals reared with unrestricted vision. The +3 D/pL lenses slowed eye growth resulting in hyperopic refractive errors that were similar to those produced by FF+3 D lenses (+3 D/pL = +5.25 D, FF +3 D = +4.63 D; P = 0.32), but significantly more hyperopic than those observed in control monkeys (+2.50 D, P = 0.0001). One -3 D/pL monkey developed compensating axial myopia; however, in the other -3 D/pL monkeys refractive development was dominated by the zero-powered portions of the treatment lenses. The refractive errors for the -3 D/pL monkeys were more hyperopic than those in the FF -3 D monkeys (-3 D/pL = +3.13 D, FF -3D = -1.69 D; P = 0.01), but similar to those in control animals (P = 0.15). In the monkeys treated with dual-focus lenses, refractive development was dominated by the more anterior (i.e., relatively myopic) image plane. The results indicate that imposing relative myopic defocus over a large proportion of the retina is an effective means for slowing ocular growth. Copyright 2014 The Association for Research in Vision and Ophthalmology, Inc.

The Effects of Simultaneous Dual Focus Lenses on Refractive Development in Infant Monkeys

PubMed Central

Arumugam, Baskar; Hung, Li-Fang; To, Chi-ho; Holden, Brien; Smith, Earl L.

2014-01-01

Purpose. We investigated the effects of two simultaneously imposed, competing focal planes on refractive development in monkeys. Methods. Starting at 3 weeks of age and continuing until 150 ± 4 days of age, rhesus monkeys were reared with binocular dual-focus spectacle lenses. The treatment lenses had central 2-mm zones of zero power and concentric annular zones with alternating powers of +3.0 diopter [D] and plano (pL or 0 D) (n = 7; +3D/pL) or −3.0 D and plano (n = 7; −3D/pL). Retinoscopy, keratometry, and A-scan ultrasonography were performed every 2 weeks throughout the treatment period. For comparison purposes data were obtained from monkeys reared with full field (FF) +3.0 (n = 4) or −3.0 D (n = 5) lenses over both eyes and 33 control animals reared with unrestricted vision. Results. The +3 D/pL lenses slowed eye growth resulting in hyperopic refractive errors that were similar to those produced by FF+3 D lenses (+3 D/pL = +5.25 D, FF +3 D = +4.63 D; P = 0.32), but significantly more hyperopic than those observed in control monkeys (+2.50 D, P = 0.0001). One −3 D/pL monkey developed compensating axial myopia; however, in the other −3 D/pL monkeys refractive development was dominated by the zero-powered portions of the treatment lenses. The refractive errors for the −3 D/pL monkeys were more hyperopic than those in the FF −3 D monkeys (−3 D/pL = +3.13 D, FF −3D = −1.69 D; P = 0.01), but similar to those in control animals (P = 0.15). Conclusions. In the monkeys treated with dual-focus lenses, refractive development was dominated by the more anterior (i.e., relatively myopic) image plane. The results indicate that imposing relative myopic defocus over a large proportion of the retina is an effective means for slowing ocular growth. PMID:25324283

Nespoli performs periodic maintenance on the PuFF Experiment

NASA Image and Video Library

2011-02-14

ISS026-E-027009 (14 Feb. 2011) --- European Space Agency (ESA) astronaut Paolo Nespoli, Expedition 26 flight engineer, performs periodic maintenance on the Pulmonary Function in Flight (PuFF) experiment by re-greasing the PuFF calibration syringe in the Columbus laboratory of the International Space Station.

Multiscale Architectures and Parallel Algorithms for Video Object Tracking

DTIC Science & Technology

2011-10-01

0 4 : if FIFO1 contains nDt frames then 5: Partition data into blocks. 6: Put SPE control block information...char buf 4 = FF; vec to r unsigned char buf 5 = FF; vec to r unsigned char buf 6 = FF; vec to r unsigned char buf 7 = FF; for ( j = 0 ; j < s i z e ; j...Public Release; Distribution Unlimited 8 7 u 6 ill :J (;) 5 E -;::; c 0 4 ~ u Q) X 3 Q) 8 7 6 u Q) Ul 5 :J (;) E :;::; 4 c 0

"Atypical" chronic wasting disease in PRNP genotype 225FF mule deer.

PubMed

Wolfe, Lisa L; Fox, Karen A; Miller, Michael W

2014-07-01

We compared mule deer (Odocoileus hemionus) of two different PRNP genotypes (225SS, 225FF) for susceptibility to chronic wasting disease (CWD) in the face of environmental exposure to infectivity. All three 225SS deer had immunohistochemistry (IHC)-positive tonsil biopsies by 710 days postexposure (dpe), developed classic clinical signs by 723-1,200 dpe, and showed gross and microscopic pathology, enzyme-linked immunosorbent assay (ELISA) results, and IHC staining typical of prion disease in mule deer. In contrast, although all three 225FF deer also became infected, the two individuals surviving >720 dpe had consistently negative biopsies, developed more-subtle clinical signs of CWD, and died 924 or 1,783 dpe. The 225FF deer were "suspect" by ELISA postmortem but showed negative or equivocal IHC staining of lymphoid tissues; both clinically affected 225FF deer had spongiform encephalopathy in the absence of IHC staining in the brain tissue. The experimental cases resembled three cases encountered among five additional captive 225FF deer that were not part of our experiment but also died from CWD. Aside from differences in clinical disease presentation and detection, 225FF mule deer also showed other, more-subtle, atypical traits that may help to explain the rarity of this genotype in natural populations, even in the presence of enzootic CWD.

Evaluation of bakanae disease progression caused by Fusarium fujikuroi in Oryza sativa L.

PubMed

Hwang, In Sun; Kang, Woo-Ri; Hwang, Duk-Ju; Bae, Shin-Chul; Yun, Sung-Hwan; Ahn, Il-Pyung

2013-12-01

Bakanae disease caused by Fusarium fujikuroi is an important fungal disease in rice. Among the seven strains isolated from symptomatic rice grains in this study, one strain, FfB14, triggered severe root growth inhibition and decay in the crown and root of rice seedlings. The remaining six strains caused typical Bakanae symptoms such as etiolation and abnormal succulent rice growth. To reveal the relationship between mycelial growth in the infected tissues and Bakanae disease progression, we have established a reliable quantification method using real time PCR that employs a primer pair and dual-labeled probe specific to a unigene encoding F. fujikuroi PNG1 (FfPNG1), which is located upstream of the fumonisin biosynthesis gene cluster. Plotting the crossing point (CP) values from the infected tissue DNAs on a standard curve revealed the active fungal growth of FfB14 in the root and crown of rice seedlings, while the growth rate of FfB20 in rice was more than 4 times lower than FfB14. Massive infective mycelial growth of FfB14 was evident in rice stems and crown; however, FfB20 did not exhibit vigorous growth. Our quantitative evaluation system is applicable for the identification of fungal virulence factors other than gibberellin.

Modulating RNA Alignment Using Directional Dynamic Kinks: Application in Determining an Atomic-Resolution Ensemble for a Hairpin using NMR Residual Dipolar Couplings.

PubMed

Salmon, Loïc; Giambaşu, George M; Nikolova, Evgenia N; Petzold, Katja; Bhattacharya, Akash; Case, David A; Al-Hashimi, Hashim M

2015-10-14

Approaches that combine experimental data and computational molecular dynamics (MD) to determine atomic resolution ensembles of biomolecules require the measurement of abundant experimental data. NMR residual dipolar couplings (RDCs) carry rich dynamics information, however, difficulties in modulating overall alignment of nucleic acids have limited the ability to fully extract this information. We present a strategy for modulating RNA alignment that is based on introducing variable dynamic kinks in terminal helices. With this strategy, we measured seven sets of RDCs in a cUUCGg apical loop and used this rich data set to test the accuracy of an 0.8 μs MD simulation computed using the Amber ff10 force field as well as to determine an atomic resolution ensemble. The MD-generated ensemble quantitatively reproduces the measured RDCs, but selection of a sub-ensemble was required to satisfy the RDCs within error. The largest discrepancies between the RDC-selected and MD-generated ensembles are observed for the most flexible loop residues and backbone angles connecting the loop to the helix, with the RDC-selected ensemble resulting in more uniform dynamics. Comparison of the RDC-selected ensemble with NMR spin relaxation data suggests that the dynamics occurs on the ps-ns time scales as verified by measurements of R(1ρ) relaxation-dispersion data. The RDC-satisfying ensemble samples many conformations adopted by the hairpin in crystal structures indicating that intrinsic plasticity may play important roles in conformational adaptation. The approach presented here can be applied to test nucleic acid force fields and to characterize dynamics in diverse RNA motifs at atomic resolution.

Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC).

PubMed

Galindo-Murillo, Rodrigo; Roe, Daniel R; Cheatham, Thomas E

2015-05-01

The structure and dynamics of DNA are critically related to its function. Molecular dynamics simulations augment experiment by providing detailed information about the atomic motions. However, to date the simulations have not been long enough for convergence of the dynamics and structural properties of DNA. Molecular dynamics simulations performed with AMBER using the ff99SB force field with the parmbsc0 modifications, including ensembles of independent simulations, were compared to long timescale molecular dynamics performed with the specialized Anton MD engine on the B-DNA structure d(GCACGAACGAACGAACGC). To assess convergence, the decay of the average RMSD values over longer and longer time intervals was evaluated in addition to assessing convergence of the dynamics via the Kullback-Leibler divergence of principal component projection histograms. These molecular dynamics simulations-including one of the longest simulations of DNA published to date at ~44μs-surprisingly suggest that the structure and dynamics of the DNA helix, neglecting the terminal base pairs, are essentially fully converged on the ~1-5μs timescale. We can now reproducibly converge the structure and dynamics of B-DNA helices, omitting the terminal base pairs, on the μs time scale with both the AMBER and CHARMM C36 nucleic acid force fields. Results from independent ensembles of simulations starting from different initial conditions, when aggregated, match the results from long timescale simulations on the specialized Anton MD engine. With access to large-scale GPU resources or the specialized MD engine "Anton" it is possible for a variety of molecular systems to reproducibly and reliably converge the conformational ensemble of sampled structures. This article is part of a Special Issue entitled: Recent developments of molecular dynamics. Copyright © 2014. Published by Elsevier B.V.

Convergence and reproducibility in molecular dynamics simulations of the DNA duplex d(GCACGAACGAACGAACGC)

PubMed Central

Galindo-Murillo, Rodrigo; Roe, Daniel R.; Cheatham, Thomas E.

2014-01-01

Background The structure and dynamics of DNA are critically related to its function. Molecular dynamics (MD) simulations augment experiment by providing detailed information about the atomic motions. However, to date the simulations have not been long enough for convergence of the dynamics and structural properties of DNA. Methods MD simulations performed with AMBER using the ff99SB force field with the parmbsc0 modifications, including ensembles of independent simulations, were compared to long timescale MD performed with the specialized Anton MD engine on the B-DNA structure d(GCACGAACGAACGAACGC). To assess convergence, the decay of the average RMSD values over longer and longer time intervals was evaluated in addition to assessing convergence of the dynamics via the Kullback-Leibler divergence of principal component projection histograms. Results These MD simulations —including one of the longest simulations of DNA published to date at ~44 μs—surprisingly suggest that the structure and dynamics of the DNA helix, neglecting the terminal base pairs, are essentially fully converged on the ~1–5 μs timescale. Conclusions We can now reproducibly converge the structure and dynamics of B-DNA helices, omitting the terminal base pairs, on the μs time scale with both the AMBER and CHARMM C36 nucleic acid force fields. Results from independent ensembles of simulations starting from different initial conditions, when aggregated, match the results from long timescale simulations on the specialized Anton MD engine. General Significance With access to large-scale GPU resources or the specialized MD engine “Anton” it is possibly for a variety of molecular systems to reproducibly and reliably converge the conformational ensemble of sampled structures. PMID:25219455

SU-E-T-215: Comparison of VMAT-SABR Treatment Plans with Flattened Filter (FF) Beam and Flattening Filter-Free (FFF) Beam for Localized Prostate Cancer

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

Chung, J; Kim, J; Kang, S

2015-06-15

Purpose: The purpose of this study is to access VMAT-SABR plan using flattening filter (FF) and flattening filter-free (FFF) beam, and compare the verification results for all pretreatment plans. Methods: SABR plans for 20 prostate patients were optimized in the Eclipse treatment planning system. A prescription dose was 42.7 Gy/7 fractions. Four SABR plans for each patient were calculated using Acuros XB algorithm with both FF and FFF beams of 6- and 10-MV. The dose-volume histograms (DVH) and technical parameters were recorded and compared. A pretreatment verification was performed and the gamma analysis was used to quantify the agreement betweenmore » calculations and measurements. Results: For each patient, the DVHs are closely similar for plans of four different beams. There are small differences showed in dose distributions and corresponding DVHs when comparing the each plan related to the same patient. Sparing on bladder and rectum was slightly better on plans with 10-MV FF and FFF than with 6-MV FF and FFF, but this difference was negligible. However, there was no significance in the other OARs. The mean agreement of 3%/3mm criteria was higher than 97% in all plans. The mean MUs and deliver time employed was 1701±101 and 3.02±0.17 min for 6-MV FF, 1870±116 and 1.69±0.08 min for 6-MV FFF, 1471±86 and 2.68±0.14 min for 10-MV FF, and 1619±101 and 0.98±0.04 min for 10-MV FFF, respectively. Conclusion: Dose distributions on prostate SABR plans using FFF beams were similar to those generated by FF beams. However, the use of FFF beam offers a clear benefit in delivery time when compared to FF beam. Verification of pretreatment also represented the acceptable and comparable results in all plans using FF beam as well as FFF beam. Therefore, this study suggests that the use of FFF beam is feasible and efficient technique for prostate SABR.« less

Vulnerability Situations associated with Flash Flood Casualties in the United States

NASA Astrophysics Data System (ADS)

Terti, G.; Ruin, I.; Anquetin, S.; Gourley, J. J.

2015-12-01

In the United States (U.S.) flash flooding (FF hereafter) is one of the leading cause of weather-related deaths. Because FF events can be distinguished from riverine floods by their fast response to rainfall and resulting impacts signature, analyzing FF-specific impact datasets seems a good way to identify the juxtaposition of social and physical circumstances leading to those impacts. This communication focuses on conceptual and methodological developments allowing testing hypotheses on FF-specific vulnerability factors through the analysis of human impact datasets. We hypothesize that the intersection of the spatio-temporal context of the FF phenomena with the distribution of people and their characteristics across space and time reveals various paths of vulnerability through the expression of different accidents' circumstances (i.e., vehicle-related, inside buildings, open-air, campsites). We argue that vulnerability and the resulting impacts vary dynamically throughout the day according to the location/situation under concern. In order to test FF-specific contextual vulnerability factors at the scale of the continental US, 1075 fatalities reported between 1996 and 2014 in the Storm Data publication of the U.S. National Climatic Data Center (NCDC) are analyzed to statistically explore the timing, the duration and the location of the FF event, and the age and gender of the victims and the circumstance (i.e. location/activity) of their death. In this objective, a re-classification of the individual fatality circumstances and a discretization of the time in qualitative time-steps are performed to obtain possible trends and patterns in the occurrence of fatalities in certain circumstances and time (e.g., day vs night). The findings highlight the importance of situation-specific assessment of FF fatalities to guide the development of FF-specific vulnerability and impacts prediction modeling. Such analysis can provide valuable knowledge when the National Weather Service issues FF warning and emergencies. This is because targeted warnings can be communicated when we can relate the location of risky incidents in space (e.g., roads, campsites, mobile homes) with specific vulnerable groups (e.g., certain age groups, gender).

Cortico-Cortical interactions between and within three cortical auditory areas specialized for time-domain signal processing

PubMed Central

Tang, Jie; Suga, Nobuo

2009-01-01

In auditory cortex of the mustached bat, the FF (F means frequency modulation), dorsal fringe (DF) and ventral fringe (VF) areas consist of “combination-sensitive” neurons tuned to the pair of an emitted biosonar pulse and its echo with a specific delay (best delay: BD). The DF and VF areas are hierarchically at a higher level than the FF area. Focal electric stimulation of the FF area evokes “centrifugal” BD shifts of DF neurons, i.e., shifts away from the BD of the stimulated FF neurons, whereas stimulation of the DF neurons evokes “centripetal” BD shifts of FF neurons, i.e., shifts toward the BD of the stimulated DF neurons. In our current studies, we found that the feed forward projection from FF neurons evokes centrifugal BD shifts of VF neurons, that the feedback projection from VF neurons evokes centripetal BD shifts of FF neurons, that the contralateral projection from DF neurons evokes centripetal BD shifts of DF neurons, and that the centripetal BD shifts evoked by the DF and VF neurons are 2.5 times larger than the centrifugal BD shifts evoked by the FF neurons. The centrifugal BD shifts shape the selective neural representation of a specific target-distance, whereas the centripetal BD shifts expand the representation of the selected specific target-distance to focus on the processing of the target information at a specific distance. The centrifugal and centripetal BD shifts evoked by the feed forward and feedback projections promote finer analysis of a target at shorter distances. PMID:19494145

CMOS capacitive biosensors for highly sensitive biosensing applications.

PubMed

Chang, An-Yu; Lu, Michael S-C

2013-01-01

Magnetic microbeads are widely used in biotechnology and biomedical research for manipulation and detection of cells and biomolecules. Most lab-on-chip systems capable of performing manipulation and detection require external instruments to perform one of the functions, leading to increased size and cost. This work aims at developing an integrated platform to perform these two functions by implementing electromagnetic microcoils and capacitive biosensors on a CMOS (complementary metal oxide semiconductor) chip. Compared to most magnetic-type sensors, our detection method requires no externally applied magnetic fields and the associated fabrication is less complicated. In our experiment, microbeads coated with streptavidin were driven to the sensors located in the center of microcoils with functionalized anti-streptavidin antibody. Detection of a single microbead was successfully demonstrated using a capacitance-to-frequency readout. The average capacitance changes for the experimental and control groups were -5.3 fF and -0.2 fF, respectively.

Bioluminescent system for dynamic imaging of cell and animal behavior

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

Hara-Miyauchi, Chikako; Laboratory for Cell Function Dynamics, Brain Science Institute, RIKEN, Saitama 351-0198; Department of Biophysics and Biochemistry, Graduate School of Health Care Sciences, Tokyo Medical and Dental University, Tokyo 113-8510

2012-03-09

Highlights: Black-Right-Pointing-Pointer We combined a yellow variant of GFP and firefly luciferase to make ffLuc-cp156. Black-Right-Pointing-Pointer ffLuc-cp156 showed improved photon yield in cultured cells and transgenic mice. Black-Right-Pointing-Pointer ffLuc-cp156 enabled video-rate bioluminescence imaging of freely-moving animals. Black-Right-Pointing-Pointer ffLuc-cp156 mice enabled tracking real-time drug delivery in conscious animals. -- Abstract: The current utility of bioluminescence imaging is constrained by a low photon yield that limits temporal sensitivity. Here, we describe an imaging method that uses a chemiluminescent/fluorescent protein, ffLuc-cp156, which consists of a yellow variant of Aequorea GFP and firefly luciferase. We report an improvement in photon yield by over threemore » orders of magnitude over current bioluminescent systems. We imaged cellular movement at high resolution including neuronal growth cones and microglial cell protrusions. Transgenic ffLuc-cp156 mice enabled video-rate bioluminescence imaging of freely moving animals, which may provide a reliable assay for drug distribution in behaving animals for pre-clinical studies.« less

Filamentous Phage: Structure and Biology.

PubMed

Rakonjac, Jasna; Russel, Marjorie; Khanum, Sofia; Brooke, Sam J; Rajič, Marina

2017-01-01

Ff filamentous phage (fd, M13 and f1) of Escherichia coli have been the workhorse of phage display technology for the past 30 years. Dominance of Ff over other bacteriophage in display technology stems from the titres that are about 100-fold higher than any other known phage, efficacious transformation ensuring large library size and superior stability of the virion at high temperatures, detergents and pH extremes, allowing broad range of biopanning conditions in screening phage display libraries. Due to the excellent understanding of infection and assembly requirements, Ff phage have also been at the core of phage-assisted continual protein evolution strategies (PACE). This chapter will give an overview of the Ff filamentous phage structure and biology, emphasizing those properties of the Ff phage life cycle and virion that are pertinent to phage display applications.

The influence of herbs and spices on overall liking of reduced fat food.

PubMed

Peters, John C; Polsky, Sarit; Stark, Rebecca; Zhaoxing, Pan; Hill, James O

2014-08-01

Most adults consume more fat than is recommended in the Dietary Guidelines for Americans. We examined whether adding herbs and spices to reduced-fat foods would improve their consumer liking. We recruited adults 18-65 years old to taste three lunch conditions: full fat (FF), reduced fat with no added spice (RF), and reduced fat plus spice (RFS). Subjects rated their liking of a meatloaf entrée, vegetable side dish, pasta side dish, and overall meal on a 9-point hedonic Likert scale. Subjects came weekly for 3 weeks to consume meals and were randomized to the condition order. We enrolled 148 subjects who were predominantly female (n = 101, 68%), had a mean age of 35.9 years, and body mass index of 24.4 kg/m2. Subjects reported habitual diets as 36% of total calories from fat (2005 Block Food Frequency Questionnaire). Reducing fat content alone significantly dropped overall liking of the meal compared with FF and RFS conditions (6.29 RF vs. 7.05 FF, P < 0.0001; 6.29 RF vs. 6.98 RFS, P ≤ 0.0001). The RFS overall meal was liked as well as the FF condition. FF and RFS conditions were liked significantly more than RF conditions for each meal item. Liking of FF and RFS meatloaf and vegetables were not significantly different from one another. Pasta FF and RFS conditions were rated significantly differently from each other (7.33 FF vs. 6.61 RFS, P < 0.0001). Adding herbs and spices to reduced fat foods restored liking of the overall meal, meatloaf, and vegetables to that of FF conditions, and significantly improved the liking of RF pasta. Herbs and spices can be a useful tool to improve liking of foods consistent with national guidelines. Copyright © 2014 The Author. Published by Elsevier Ltd.. All rights reserved.

Follicular fluid soluble receptor for advanced glycation end-products (sRAGE): a potential indicator of ovarian reserve.

PubMed

Merhi, Zaher; Irani, Mohamad; Doswell, Angela D; Ambroggio, Jennifer

2014-02-01

The interaction of advanced glycation end-products (AGEs) with their cellular receptor (RAGE) is implicated in the pathogenesis of abnormal ovarian follicular growth. RAGE has a circulating secretory receptor form, soluble RAGE (sRAGE), which neutralizes the action of AGEs and might exert a protective role on the follicular environment. The objective of the study was to investigate whether serum or follicular fluid (FF) sRAGE levels are associated with markers of ovarian reserve. Serum anti-Mullerian hormone (AMH) and sRAGE protein levels were correlated in 31 reproductive-aged women. An additional 33 women who underwent oocyte retrieval for in vitro fertilization were enrolled. AMH and its receptor (AMHR-II) mRNA levels were quantified in cumulus granulosa cells and FF sRAGE and AMH protein levels were measured. Granulosa cell AMH and AMHR-II gene expression, serum and FF AMH and sRAGE protein concentration, and number of oocytes retrieved were measured. In the serum, sRAGE levels were negatively correlated with body mass index (BMI) (r = -0.5, P < .001) but not with age or serum AMH. The higher the FF sRAGE, the lower the number of international units of gonadotropin needed per cycle independent of age, BMI, or day 3 FSH level (r = -0.4, P = .04). After adjusting for age, BMI, day 3 FSH, and the total dose of gonadotropins, FF sRAGE predicted the number of oocytes retrieved (R(2) = 0.27, P = .045). FF sRAGE positively correlated with FF AMH levels (r = 0.5, P = .0085). RT-PCR results showed no correlation between the FF sRAGE and AMH or AMHR-II mRNA levels. These data support a relationship between FF sRAGE and measures of ovarian reserve. The pathological significance of the harmful inflammatory AGEs in follicular health clearly requires further investigation. Targeting AGEs might offer potential therapeutic options for the treatment of diminished ovarian response.

SU-E-T-311: Dosimetric Comparison of Volumetric Modulated Arc Therapy Plans for Preoperative Radiotherapy Rectal Cancer Using Flattening Filter-Free and Flattening Filter Modes

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

Zhang, W; Zhang, J; Lu, J

Purpose: To compare the dosimetric difference of volumetric modulated arc therapy(VMAT) for preoperative radiotherapy rectal cancer using 6MV X-ray flattening filter free(FFF) and flattening filter(FF) modes. Methods: FF-VMAT and FFF-VMAT plans were designed to 15 rectal cancer patients with preoperative radiotherapy by planning treatment system(Eclipse 10.0),respectively. Dose prescription was 50 Gy in 25 fractions. All plans were normalized to 50 Gy to 95% of PTV. The Dose Volume Histogram (DVH), target and risk organ doses, conformity indexes (CI), homogeneity indexes (HI), low dose volume of normal tissue(BP), monitor units(MU) and treatment time (TT) were compared between the two kinds ofmore » plans. Results: FF-VMAT provided the lower Dmean, V105, HI, and higher CI as compared with FFF-VMAT. The small intestine of D5, Bladder of D5, Dmean, V40, V50, L-femoral head of V40, R-femoral head of Dmean were lower in FF-VMAT than in FFF-VMAT. FF-VMAT had higher BP of V5, but no significantly different of V10, V15, V20, V30 as compared with FFF-VMAT. FF-VMAT reduceed the monitor units(MU) by 21%(P<0.05), as well as the treatment time(TT) was no significantly different(P>0.05), as compared with FFF-VMAT. Conclusion: The plan qualities of FF and FFF VMAT plans were comparable and both clinically acceptable. FF-VMAT as compared with FFF-VMAT, showing better target coverage, some of OARs sparing, the MUs of FFF-VMAT were higher than FF-VMAT, yet were delivered within the same time. This work was supported by the Medical Scientific Research Foundation of Guangdong Procvince (A2014455 to Changchun Ma)« less

Child-targeted fast-food television advertising exposure is linked with fast-food intake among pre-school children

PubMed Central

Dalton, Madeline A; Longacre, Meghan R; Drake, Keith M; Cleveland, Lauren P; Harris, Jennifer L; Hendricks, Kristy; Titus, Linda J

2017-01-01

Objective To determine whether exposure to child-targeted fast-food (FF) television (TV) advertising is associated with children’s FF intake in a non-experimental setting. Design Cross-sectional survey conducted April–December 2013. Parents reported their pre-school child’s TV viewing time, channels watched and past-week FF consumption. Responses were combined with a list of FF commercials (ads) aired on children’s TV channels during the same period to calculate children’s exposure to child-targeted TV ads for the following chain FF restaurants: McDonald’s, Subway and Wendy’s (MSW). Setting Paediatric and Women, Infants, and Children (WIC) clinics in New Hampshire, USA. Subjects Parents (n 548) with a child of pre-school age. Results Children’s mean age was 4·4 years; 43·2 % ate MSW in the past week. Among the 40·8 % exposed to MSW ads, 23·3 % had low, 34·2 % moderate and 42·5 % high exposure. McDonald’s accounted for over 70 % of children’s MSW ad exposure and consumption. Children’s MSW consumption was significantly associated with their ad exposure, but not overall TV viewing time. After adjusting for demographics, socio-economic status and other screen time, moderate MSW ad exposure was associated with a 31 % (95 % CI 1·12, 1·53) increase and high MSW ad exposure with a 26 % (95 % CI 1·13, 1·41) increase in the likelihood of consuming MSW in the past week. Further adjustment for parent FF consumption did not change the findings substantially. Conclusions Exposure to child-targeted FF TV advertising is positively associated with FF consumption among children of pre-school age, highlighting the vulnerability of young children to persuasive advertising and supporting recommendations to limit child-directed FF marketing. PMID:28416041

Diagnostic Ability of Automated Pupillography in Glaucoma.

PubMed

Rao, Harsha L; Kadambi, Sujatha V; Mehta, Pooja; Dasari, Srilakshmi; Puttaiah, Narendra K; Pradhan, Zia S; Rao, Dhanraj A S; Shetty, Rohit

2017-05-01

To evaluate the diagnostic ability of automated pupillography measurements in glaucoma and study the effect of inter-eye asymmetry in glaucomatous damage on the diagnostic ability. In an observational, cross-sectional study, 47 glaucoma patients and 42 control subjects underwent automated pupillography using a commercially available device. Diagnostic abilities of the pupillary response measurements were evaluated using area under receiver operating characteristic (ROC) curves (AUC) and sensitivities at fixed specificities. Influence of inter-eye asymmetry in glaucoma [inter-eye mean deviation (MD) difference on visual fields (VF)] on the diagnostic ability of pupillography parameters was evaluated by ROC regression approach. The AUCs of automated pupillography parameters ranged from 0.60 (amplitude score with peripheral blue stimulus) to 0.82 (amplitude score with full field white stimulus, Amp-FF-W). Sensitivity at 95% specificity ranged between 5% (amplitude score with full field blue stimulus) and 45% (amplitude score with full field green stimulus). Inter-eye MD difference significantly affected the diagnostic performance of automated pupillography parameters (p < 0.05). AUCs of Amp-FF-W at inter-eye MD difference of 0 dB, 5 dB, 10 dB and 15 dB were 0.71, 0.80, 0.87 and 0.93, respectively, according to the regression model. The corresponding sensitivities at 95% specificity were 20%, 34%, 50% and 66%, respectively. The diagnostic abilities of even the best automated pupillography parameters were only moderate in glaucoma. The performance of these pupillography measurements in detecting glaucoma significantly increased with greater inter-eye asymmetry in the glaucomatous damage.

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2009

DOT National Transportation Integrated Search

2009-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2008

DOT National Transportation Integrated Search

2008-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Teaching Health Sciences Students about Culturally Sensitive Communication between Health Professionals and Patients from Diverse Cultures

ERIC Educational Resources Information Center

Olivares, Mónica; Pena, Carmen

2015-01-01

As members of a nationally accredited research project (I?+?D+i) InterMED (ref.: FF2011-25500) being carried out in the field of Intercultural Mediation, we are aware of the mediator's delicate role in communicative interactions between health professionals and foreign population. Sales has pointed out the dangers of stereotyping minorities and…

An empirical assessment of forest floor carbon stock components across the United States

Treesearch

Christopher W. Woodall; Charles H. Perry; James A. Westfall

2012-01-01

Despite its prevalent reporting in regional/national greenhouse gas inventories (NGHGI), forest floor (FF) carbon (C) stocks (including litter, humus, and fine woody debris [FWD]) have not been empirically measured using a consistent approach across forests of the US. The goal of this study was to use the first national field inventory of litter and humic layer depths...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2007

DOT National Transportation Integrated Search

2007-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2006

DOT National Transportation Integrated Search

2006-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2005

DOT National Transportation Integrated Search

2005-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2003

DOT National Transportation Integrated Search

2003-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data - 3 Year Restricted (includes foreign point and foreign point by US Carrier) : [2004

DOT National Transportation Integrated Search

2004-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Influence of fenofibrate treatment on triacylglycerides, diacylglycerides and fatty acids in fructose fed rats.

PubMed

Kopf, Thomas; Schaefer, Hans-Ludwig; Troetzmueller, Martin; Koefeler, Harald; Broenstrup, Mark; Konovalova, Tatiana; Schmitz, Gerd

2014-01-01

Fenofibrate (FF) lowers plasma triglycerides via PPARα activation. Here, we analyzed lipidomic changes upon FF treatment of fructose fed rats. Three groups with 6 animals each were defined as control, fructose-fed and fructose-fed/FF treated. Male Wistar Unilever Rats were subjected to 10% fructose-feeding for 20 days. On day 14, fenofibrate treatment (100 mg/kg p.o.) was initiated and maintained for 7 days. Lipid species in serum were analyzed using mass spectrometry (ESI-MS/MS; LC-FT-MS, GC-MS) on days 0, 14 and 20 in all three groups. In addition, lipid levels in liver and intestine were determined. Short-chain TAGs increased in serum and liver upon fructose-feeding, while almost all TAG-species decreased under FF treatment. Long-chain unsaturated DAG-levels (36:1, 36:2, 36:4, 38:3, 38:4, 38:5) increased upon FF treatment in rat liver and decreased in rat serum. FAs, especially short-chain FAs (12:0, 14:0, 16:0) increased during fructose-challenge. VLDL secretion increased upon fructose-feeding and together with FA-levels decreased to control levels during FF treatment. Fructose challenge of de novo fatty acid synthesis through fatty acid synthase (FAS) may enhance the release of FAs ≤ 16:0 chain length, a process reversed by FF-mediated PPARα-activation.

40 CFR 63.1092 - What are the major differences between the requirements of 40 CFR part 61, subpart FF, and the...

Code of Federal Regulations, 2010 CFR

2010-07-01

... the requirements of 40 CFR part 61, subpart FF, and the waste requirements for ethylene production... (CONTINUED) National Emission Standards for Ethylene Manufacturing Process Units: Heat Exchange Systems and... requirements of 40 CFR part 61, subpart FF, and the waste requirements for ethylene production sources? The...

Neutron Reference Benchmark Field Specification: ACRR Free-Field Environment (ACRR-FF-CC-32-CL).

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

Vega, Richard Manuel; Parma, Edward J.; Griffin, Patrick J.

2015-07-01

This report was put together to support the International Atomic Energy Agency (IAEA) REAL- 2016 activity to validate the dosimetry community’s ability to use a consistent set of activation data and to derive consistent spectral characterizations. The report captures details of integral measurements taken in the Annular Core Research Reactor (ACRR) central cavity free-field reference neutron benchmark field. The field is described and an “a priori” calculated neutron spectrum is reported, based on MCNP6 calculations, and a subject matter expert (SME) based covariance matrix is given for this “a priori” spectrum. The results of 31 integral dosimetry measurements in themore » neutron field are reported.« less

The influence of herbs, spices, and regular sausage and chicken consumption on liking of reduced fat breakfast and lunch items.

PubMed

Polsky, Sarit; Beck, Jimikaye; Stark, Rebecca A; Pan, Zhaoxing; Hill, James O; Peters, John C

2014-10-01

Adults often consume more fat than is recommended. We examined factors that may improve liking of reduced fat and reduced saturated fat foods, including the addition of herbs and spices and habitual consumption of different high-fat and low-fat food items. We randomized adults to taste 3 different conditions: full fat (FF), reduced fat with no added spice (RF), and reduced fat plus spice (RFS). Subjects rated their liking of French toast, sausage and the overall meal, or chicken, vegetables, pasta, and the overall meal on a 9-point hedonic Likert scale. Overall liking of the RF breakfast and lunch meals were lower than the FF and RFS versions (breakfast: 6.50 RF compared with 6.84 FF, P = 0.0061; 6.50 RF compared with 6.82 RFS, P = 0.0030; lunch: 6.35 RF compared with 6.94 FF, P < 0.0001; 6.35 RF compared with 6.71 RFS, P = 0.0061). RFS and FF breakfast and lunch meals, French toast, chicken, and vegetable likings were similar. FF and RFS conditions were liked more than RF for the breakfast and lunch meals, French toast, chicken entrée, and vegetables. Liking of all 3 sausage conditions was similar. FF pasta was liked more than RFS and RF (7.47 FF compared with 6.42 RFS, P < 0.0001; 7.47 FF compared with 6.47 RF, P < 0.0001). Habitual consumption of roasted chicken was associated with reduced liking of FF chicken (r = -0.23, P = 0.004) and FF pasta (r = -0.23, P = 0.005). Herbs and spices may be useful for improving the liking of lower fat foods and helping Americans maintain a diet consistent with the U.S. Dietary Guidelines. Americans consume more fat than is recommended in the Dietary Guidelines for Americans. This study shows that you can take foods like French toast, chicken, or a vegetable side and cut the fat and calories by up to 50% while restoring flavor with herbs and spices. People typically use butter, cheese, or fatty meat to enhance the flavor of their food. We found that even when we reduced the fat in our meals by using lower fat dairy and meat products but then added herbs and spices, we were able to deliver the flavor people desire for a fraction of the calories. © 2014 Institute of Food Technologists®

Role of surface oxidation on the size dependent mechanical properties of nickel nanowires: a ReaxFF molecular dynamics study.

PubMed

Aral, Gurcan; Islam, Md Mahbubul; van Duin, Adri C T

2017-12-20

Highly reactive metallic nickel (Ni) is readily oxidized by oxygen (O 2 ) molecules even at low temperatures. The presence of the naturally resulting pre-oxide shell layer on metallic Ni nano materials such as Ni nanowires (NW) is responsible for degrading the deformation mechanisms and related mechanical properties. However, the role of the pre-oxide shell layer on the metallic Ni NW coupled with the complicated mechanical deformation mechanism and related properties have not yet been fully and independently understood. For this reason, the ReaxFF reactive force field for Ni/O interactions was used to investigate the effect of surface oxide layers and the size-dependent mechanical properties of Ni NWs under precisely controlled tensile loading conditions. To directly quantify the size dependent surface oxidation effect on the tensile mechanical deformation behaviour and related properties for Ni NWs, first, ReaxFF-molecular dynamics (MD) simulations were carried out to study the oxidation kinetics on the free surface of Ni NWs in a molecular O 2 environment as a function of various diameters (D = 5.0, 6.5, and 8.0 nm) of the NWs, but at the same length. Single crystalline, pure metallic Ni NWs were also studied as a reference. The results of the oxidation simulations indicate that a surface oxide shell layer with limiting thickness of ∼1.0 nm was formed on the free surface of the bare Ni NW, typically via dissociation of the O-O bonds and the subsequent formation of Ni-O bonds. Furthermore, we investigated the evolution of the size-dependent intrinsic mechanical elastic properties of the core-oxide shell (Ni/Ni x O y ) NWs by comparing them with their un-oxidized counterparts under constant uniaxial tensile loading. We found that the oxide shell layer significantly decreases the mechanical properties of metallic Ni NW as well as facilitates the initiation of plastic deformation as a function of decreasing diameter. The disordered oxide shell layer on the Ni NW's surface remarkably reduces the yield stress and Young's modulus, due to the increased softening effects with the decreasing NW diameter, compared to un-oxidized counterparts. Moreover, the onset of plastic deformation occurs at a relatively low yielding strain and stress level for the smaller diameter of oxide-coated Ni NWs in comparison to their pure counterparts. Furthermore, for pure Ni NWs, Young's modulus, the yielding stress and strain slightly decrease with the decrease in the diameter size of Ni NWs.

Perifollicular blood flow and its relationship with endometrial vascularity, follicular fluid EG-VEGF, IGF-1, and inhibin-a levels and IVF outcomes.

PubMed

Vural, Fisun; Vural, Birol; Doğer, Emek; Çakıroğlu, Yiğit; Çekmen, Mustafa

2016-10-01

The aim of this study is to investigate the association of perifollicular blood flow (PFBF) with follicular fluid EG-VEGF, inhibin-a, and insulin-like growth factor-1 (IGF-1) concentrations, endometrial vascularity, and IVF outcomes. Forty women with tubal factor infertility were included in a prospective cohort study. Each woman underwent IVF/ICSI procedure. Individual follicles of ≥16 mm (n = 156) were evaluated by power Doppler analysis and categorized as well-vascularized follicles (WVFs) or poorly vascularized follicles (PVFs). WVFs referred to those with perifollicular vascularity of 51-100 %. Each follicular fluid (FF) was individually aspirated and FF/serum EG-VEGF, inhibin-a, and FF IGF-1 levels were evaluated. Zones III-IV endometrial vascularity was classified as a well-vascularized endometrium (WVE). The presence of a WVE and mature oocytes, in addition to the embryo quality and clinical pregnancy rate (CPR), were recorded for each follicle. The main outcome measures were FF serum EG-VEGF, inhibin-a, IGF-1 levels, and WVE and IVF outcome per PFBF. For WVFs, the level of FF EG-VEGF (p = 0.008), oocyte quality (p = 0.001), embryo quality (p = 0.002), a WVE (p = 0.001), and CPR (p = 0.04) increased significantly. The pregnant group was characterized by increased numbers of WVFs (p = 0.044), a WVE (p = 0.022), and increased levels of FF IGF-1 (p = 0.001) and serum EG-VEGF (p = 0.03). FF IGF-1 >50 ng/mL (AUC 0.72) had 75 % sensitivity and 64 % specificity for predicting CPR. WVFs yield high-quality oocytes and embryos, a WVE, increased FF EG-VEGF levels, and increased CPRs.

YKL071W from Saccharomyces cerevisiae encodes a novel aldehyde reductase for detoxification of glycolaldehyde and furfural derived from lignocellulose.

PubMed

Wang, Hanyu; Ouyang, Yidan; Zhou, Chang; Xiao, Difan; Guo, Yaping; Wu, Lan; Li, Xi; Gu, Yunfu; Xiang, Quanju; Zhao, Ke; Yu, Xiumei; Zou, Likou; Ma, Menggen

2017-12-01

Aldehydes generated as by-products during the pretreatment of lignocellulose are the key inhibitors to Saccharomyces cerevisiae, which is considered as the most promising microorganism for industrial production of biofuel, xylitol as well as other special chemicals from lignocellulose. S. cerevisiae has the inherent ability to in situ detoxify aldehydes to corresponding alcohols by multiple aldehyde reductases. Herein, we report that an uncharacterized open reading frame YKL071W from S. cerevisiae encodes a novel "classical" short-chain dehydrogenase/reductase (SDR) protein with NADH-dependent enzymatic activities for reduction of furfural (FF), glycolaldehyde (GA), formaldehyde (FA), and benzaldehyde (BZA). This enzyme showed much better specific activities for reduction of GA and FF than FA and BZA, and displayed much higher Km and Kcat/Km but lower Vmax and Kcat for reduction of GA than FF. For this enzyme, the optimum pH was 5.5 and 6.0 for reduction of GA and FF, and the optimum temperature was 30 °C for reduction of GA and FF. Both pH and temperature affected stability of this enzyme in a similar trend for reduction of GA and FF. Cu 2+ , Zn 2+ , Ni 2+ , and Fe 3+ had severe inhibition effects on enzyme activities of Ykl071wp for reduction of GA and FF. Transcription of YKL071W in S. cerevisiae was significantly upregulated under GA and FF stress conditions, and its transcription is most probably regulated by transcription factor genes of YAP1, CAD1, PDR3, and STB5. This research provides guidelines to identify more uncharacterized genes with reductase activities for detoxification of aldehydes derived from lignocellulose in S. cerevisiae.

Economy and rate of carbohydrate oxidation during running with rearfoot and forefoot strike patterns.

PubMed

Gruber, Allison H; Umberger, Brian R; Braun, Barry; Hamill, Joseph

2013-07-15

It continues to be argued that a forefoot (FF) strike pattern during running is more economical than a rearfoot (RF) pattern; however, previous studies using one habitual footstrike group have found no difference in running economy between footstrike patterns. We aimed to conduct a more extensive study by including both habitual RF and FF runners. The purposes of this study were to determine whether there were differences in running economy between these groups and whether running economy would change when they ran with the alternative footstrike pattern. Nineteen habitual RF and 18 habitual FF runners performed the RF and FF patterns on a treadmill at 3.0, 3.5, and 4.0 m/s. Steady-state rates of oxygen consumption (Vo2, ml·kg(-1)·min(-1)) and carbohydrate contribution to total energy expenditure (%CHO) were determined by indirect calorimetry for each footstrike pattern and speed condition. A mixed-model ANOVA was used to assess the differences in each variable between groups and footstrike patterns (α = 0.05). No differences in Vo2 or %CHO were detected between groups when running with their habitual footstrike pattern. The RF pattern resulted in lower Vo2 and %CHO compared with the FF pattern at the slow and medium speeds in the RF group (P < 0.05) but not in the FF group (P > 0.05). At the fast speed, a significant footstrike pattern main effect indicated that Vo2 was greater with the FF pattern than with the RF pattern (P < 0.05), but %CHO was not different (P > 0.05). The results suggest that the FF pattern is not more economical than the RF pattern.

Neoatherosclerosis development following bioresorbable vascular scaffold implantation in diabetic and non-diabetic swine

PubMed Central

van Ditzhuijzen, Nienke S.; Kurata, Mie; van den Heuvel, Mieke; Sorop, Oana; van Duin, Richard W. B.; Krabbendam-Peters, Ilona; Ligthart, Jurgen; Witberg, Karen; Murawska, Magdalena; Bouma, Brett; Villiger, Martin; Garcia-Garcia, Hector M.; Serruys, Patrick W.; Zijlstra, Felix; van Soest, Gijs; Duncker, Dirk-Jan; Regar, Evelyn; van Beusekom, Heleen M. M.

2017-01-01

Background DM remains a risk factor for poor outcome after stent-implantation, but little is known if and how DM affects the vascular response to BVS. Aim The aim of our study was to examine coronary responses to bioresorbable vascular scaffolds (BVS) in swine with and without diabetes mellitus fed a ‘fast-food’ diet (FF-DM and FF-NDM, respectively) by sequential optical coherence tomography (OCT)-imaging and histology. Methods Fifteen male swine were evaluated. Eight received streptozotocin-injection to induce DM. After 9 months (M), 32 single BVS were implanted in epicardial arteries with a stent to artery (S/A)-ratio of 1.1:1 under quantitative coronary angiography (QCA) and OCT guidance. Lumen, scaffold, neointimal coverage and composition were assessed by QCA, OCT and near-infrared spectroscopy (NIRS) pre- and/or post-procedure, at 3M and 6M. Additionally, polarization-sensitive (PS)-OCT was performed in 7 swine at 6M. After sacrifice at 3M and 6M, histology and polymer degradation analysis were performed. Results Late lumen loss was high (~60%) within the first 3M after BVS-implantation (P<0.01 FF-DM vs. FF-NDM) and stabilized between 3M and 6M (<5% change in FF-DM, ~10% in FF-NDM; P>0.20). Neointimal coverage was highly heterogeneous in all swine (DM vs. NDM P>0.05), with focal lipid accumulation, irregular collagen distribution and neointimal calcification. Likewise, polymer mass loss was low (~2% at 3M, ~5% at 6M;P>0.20) and not associated with DM or inflammation. Conclusion Scaffold coverage showed signs of neo-atherosclerosis in all FF-DM and FF-NDM swine, scaffold polymer was preserved and the vascular response to BVS was not influenced by diabetes. PMID:28898243

Neoatherosclerosis development following bioresorbable vascular scaffold implantation in diabetic and non-diabetic swine.

PubMed

van Ditzhuijzen, Nienke S; Kurata, Mie; van den Heuvel, Mieke; Sorop, Oana; van Duin, Richard W B; Krabbendam-Peters, Ilona; Ligthart, Jurgen; Witberg, Karen; Murawska, Magdalena; Bouma, Brett; Villiger, Martin; Garcia-Garcia, Hector M; Serruys, Patrick W; Zijlstra, Felix; van Soest, Gijs; Duncker, Dirk-Jan; Regar, Evelyn; van Beusekom, Heleen M M

2017-01-01

DM remains a risk factor for poor outcome after stent-implantation, but little is known if and how DM affects the vascular response to BVS. The aim of our study was to examine coronary responses to bioresorbable vascular scaffolds (BVS) in swine with and without diabetes mellitus fed a 'fast-food' diet (FF-DM and FF-NDM, respectively) by sequential optical coherence tomography (OCT)-imaging and histology. Fifteen male swine were evaluated. Eight received streptozotocin-injection to induce DM. After 9 months (M), 32 single BVS were implanted in epicardial arteries with a stent to artery (S/A)-ratio of 1.1:1 under quantitative coronary angiography (QCA) and OCT guidance. Lumen, scaffold, neointimal coverage and composition were assessed by QCA, OCT and near-infrared spectroscopy (NIRS) pre- and/or post-procedure, at 3M and 6M. Additionally, polarization-sensitive (PS)-OCT was performed in 7 swine at 6M. After sacrifice at 3M and 6M, histology and polymer degradation analysis were performed. Late lumen loss was high (~60%) within the first 3M after BVS-implantation (P<0.01 FF-DM vs. FF-NDM) and stabilized between 3M and 6M (<5% change in FF-DM, ~10% in FF-NDM; P>0.20). Neointimal coverage was highly heterogeneous in all swine (DM vs. NDM P>0.05), with focal lipid accumulation, irregular collagen distribution and neointimal calcification. Likewise, polymer mass loss was low (~2% at 3M, ~5% at 6M;P>0.20) and not associated with DM or inflammation. Scaffold coverage showed signs of neo-atherosclerosis in all FF-DM and FF-NDM swine, scaffold polymer was preserved and the vascular response to BVS was not influenced by diabetes.

Tilmicosin- and florfenicol-loaded hydrogenated castor oil-solid lipid nanoparticles to pigs: Combined antibacterial activities and pharmacokinetics.

PubMed

Ling, Z; Yonghong, L; Junfeng, L; Li, Z; Xianqiang, L

2018-04-01

The combined antibacterial effects of tilmicosin (TIL) and florfenicol (FF) against Actinobacillus pleuropneumoniae (APP) (n = 2), Streptococcus suis (S. suis) (n = 2), and Haemophilus parasuis (HPS) (n = 2) were evaluated by chekerboard test and time-kill assays. The pharmacokinetics (PKs) of TIL- and FF-loaded hydrogenated castor oil (HCO)-solid lipid nanoparticles (SLN) were performed in healthy pigs. The results indicated that TIL and FF showed synergistic or additive antibacterial activities against APP, S. suis and HPS with the fractional inhibitory concentration (FIC) ranging from 0.375 to 0.75. The time-kill assays showed that 1/2 minimum inhibitory concentration (MIC) TIL combined with 1/2 MIC FF had a stronger ability to inhibit the growth of APP, S. suis, and HPS than 1 MIC TIL or 1 MIC FF, respectively. After oral administration, plasma TIL and FF concentrations could maintain about 0.1 μg/ml for 192 and 176 hr. The SLN prolonged the last time point with detectable concentrations (T last ), area under the concentration-time curve (AUC 0-t ), elimination half-life (T ½ke ), and mean residence time (MRT) by 3.1, 5.6, 12.7, 3.4-fold of the active pharmaceutical ingredient (API) of TIL and 11.8, 16.5, 18.1, 12.1-fold of the API of FF, respectively. This study suggests that the TIL-FF-SLN could be a useful oral formulation for the treatment of APP, S. suis, and HPS infection in pigs. © 2017 John Wiley & Sons Ltd.

A statistical approach for isolating fossil fuel emissions in atmospheric inverse problems

DOE PAGES

Yadav, Vineet; Michalak, Anna M.; Ray, Jaideep; ...

2016-10-27

We study independent verification and quantification of fossil fuel (FF) emissions that constitutes a considerable scientific challenge. By coupling atmospheric observations of CO 2 with models of atmospheric transport, inverse models offer the possibility of overcoming this challenge. However, disaggregating the biospheric and FF flux components of terrestrial fluxes from CO 2 concentration measurements has proven to be difficult, due to observational and modeling limitations. In this study, we propose a statistical inverse modeling scheme for disaggregating winter time fluxes on the basis of their unique error covariances and covariates, where these covariances and covariates are representative of the underlyingmore » processes affecting FF and biospheric fluxes. The application of the method is demonstrated with one synthetic and two real data prototypical inversions by using in situ CO 2 measurements over North America. Also, inversions are performed only for the month of January, as predominance of biospheric CO 2 signal relative to FF CO 2 signal and observational limitations preclude disaggregation of the fluxes in other months. The quality of disaggregation is assessed primarily through examination of a posteriori covariance between disaggregated FF and biospheric fluxes at regional scales. Findings indicate that the proposed method is able to robustly disaggregate fluxes regionally at monthly temporal resolution with a posteriori cross covariance lower than 0.15 µmol m -2 s -1 between FF and biospheric fluxes. Error covariance models and covariates based on temporally varying FF inventory data provide a more robust disaggregation over static proxies (e.g., nightlight intensity and population density). However, the synthetic data case study shows that disaggregation is possible even in absence of detailed temporally varying FF inventory data.« less

Quantification of bone marrow fat content using iterative decomposition of water and fat with echo asymmetry and least-squares estimation (IDEAL): reproducibility, site variation and correlation with age and menopause.

PubMed

Aoki, Takatoshi; Yamaguchi, Shinpei; Kinoshita, Shunsuke; Hayashida, Yoshiko; Korogi, Yukunori

2016-09-01

To determine the reproducibility of the quantitative chemical shift-based water-fat separation method with a multiecho gradient echo sequence [iteraterative decomposition of water and fat with echo asymmetry and least-squares estimation quantitation sequence (IDEAL-IQ)] for assessing bone marrow fat fraction (FF); to evaluate variation of FF at different bone sites; and to investigate its association with age and menopause. 31 consecutive females who underwent pelvic iterative decomposition of water and fat with echo asymmetry and least-squares estimation at 3-T MRI were included in this study. Quantitative FF using IDEAL-IQ of four bone sites were analyzed. The coefficients of variance (CV) on each site were evaluated repeatedly 10 times to assess the reproducibility. Correlations between FF and age were evaluated on each site, and the FFs between pre- and post-menopausal groups were compared. The CV in the quantification of marrow FF ranged from 0.69% to 1.70%. A statistically significant correlation was established between the FF and the age in lumbar vertebral body, ilium and intertrochanteric region of the femur (p < 0.001). The average FF of post-menopausal females was significantly higher than that of pre-menopausal females in these sites (p < 0.05). In the greater trochanter of the femur, there was no significant correlation between FF and age. In vivo IDEAL-IQ would provide reliable quantification of bone marrow fat. IDEAL-IQ is simple to perform in a short time and may be practical for providing information on bone quality in clinical settings.

Crystallization and preliminary X-ray crystallographic analysis of an ice-binding protein (FfIBP) from Flavobacterium frigoris PS1.

PubMed

Do, Hackwon; Lee, Jun Hyuck; Lee, Sung Gu; Kim, Hak Jun

2012-07-01

Ice growth in a cold environment is fatal for polar organisms, not only because of the physical destruction of inner cell organelles but also because of the resulting chemical damage owing to processes such as osmotic shock. The properties of ice-binding proteins (IBPs), which include antifreeze proteins (AFPs), have been characterized and IBPs exhibit the ability to inhibit ice growth by binding to specific ice planes and lowering the freezing point. An ice-binding protein (FfIBP) from the Gram-negative bacterium Flavobacterium frigoris PS1, which was isolated from the Antarctic, has recently been overexpressed. Interestingly, the thermal hysteresis activity of FfIBP was approximately 2.5 K at 50 µM, which is ten times higher than that of the moderately active IBP from Arctic yeast (LeIBP). Although FfIBP closely resembles LeIBP in its amino-acid sequence, the antifreeze activity of FfIBP appears to be much greater than that of LeIBP. In an effort to understand the reason for this difference, an attempt was made to solve the crystal structure of FfIBP. Here, the crystallization and X-ray diffraction data of FfIBP are reported. FfIBP was crystallized using the hanging-drop vapour-diffusion method with 0.1 M sodium acetate pH 4.4 and 3 M sodium chloride as precipitant. A complete diffraction data set was collected to a resolution of 2.9 Å. The crystal belonged to space group P4(1)22, with unit-cell parameters a = b = 69.4, c = 178.2 Å. The asymmetric unit contained one monomer.

Self-assembly of diphenylalanine with preclick components as capping groups.

PubMed

Gemma, Andrea; Mayans, Enric; Ballano, Gema; Torras, Juan; Díaz, Angélica; Jiménez, Ana I; Puiggalí, Jordi; Cativiela, Carlos; Alemán, Carlos

2017-10-11

Alkyne and azide, which are commonly used in the cycloaddition reaction recognized as "click chemistry", have been used as capping groups of two engineered diphenylalanine (FF) derivatives due to their ability to form weak intermolecular interactions (i.e. dipole-π and π-π stacking). In Poc-FF-N 3 , alkyne and azide act as N- and C-terminal capping groups, respectively, while such positions are exchanged in N 3 -FF-OPrp. The self-assembly of such two synthesized peptides has been extensively studied in their "pre-click" state, considering the influence of three different factors: the peptide concentration, the polarity of the medium, and the nature of the substrate. Poc-FF-N 3 assembles into microfibers that, depending on the medium and the substrate, can aggregate hierarchically in supramolecular structures with different morphologies. The most distinctive one corresponds to very stable birefringent dendritic-like microstructures, which are derived from the ordered agglomeration of microfibers. These branched supramolecular structures, which are observed under a variety of conditions, are relatively uncommon in short FF sequences. At the molecular level, Poc-FF-N 3 organizes in antiparallel β-sheets stabilized by N-HO intermolecular hydrogen bonds and re-enforced by weak interactions between the azide and alkyne groups of neighbouring molecules. In contrast, N 3 -FF-OPrp exhibits a very poor tendency to organize into structures with a well-defined morphology. Theoretical calculations on model complexes indicate that the tendency of the latter peptide to organize into small amorphous agglomerates is due to its poor ability to form specific intermolecular interactions in comparison with Poc-FF-N 3 . The implications of the weak interactions induced by the alkyne and azide groups, which strengthen peptidepeptide hydrogen bonds and π-ladders due to the stacked aromatic phenyl side groups, are discussed.

Development of a ReaxFF potential for carbon condensed phases and its application to the thermal fragmentation of a large fullerene

DOE PAGES

Srinivasan, Sriram Goverapet; Adri C. T. van Duin; Ganesh, Panchapakesan

2015-01-06

In this paper, we report the development of a ReaxFF reactive potential that can accurately describe the chemistry and dynamics of carbon condensed phases. Density functional theory (DFT)-based calculations were performed to obtain the equation of state for graphite and diamond and the formation energies of defects in graphene and amorphous phases from fullerenes. The DFT data were used to reparametrize ReaxFF CHO, resulting in a new potential called ReaxFF C-2013. ReaxFF C-2013 accurately predicts the atomization energy of graphite and closely reproduces the DFT-based energy difference between graphite and diamond, and the barrier for transition from graphite to diamond.more » ReaxFF C-2013 also accurately predicts the DFT-based energy barrier for Stone–Wales transformation in a C 60(I h) fullerene through the concerted rotation of a C 2 unit. Later, MD simulations of a C 180 fullerene using ReaxFF C-2013 suggested that the thermal fragmentation of these giant fullerenes is an exponential function of time. An Arrhenius-type equation was fit to the decay rate, giving an activation energy of 7.66 eV for the loss of carbon atoms from the fullerene. Although the decay of the molecule occurs primarily via the loss of C 2 units, we observed that, with an increase in temperature, the probability of loss of larger fragments increases. Finally, the ReaxFF C-2013 potential developed in this work, and the results obtained on fullerene fragmentation, provide an important step toward the full computational chemical modeling of coal pyrolysis, soot incandescence, high temperature erosion of graphitic rocket nozzles, and ablation of carbon-based spacecraft materials during atmospheric reentry.« less

FF12MC: A revised AMBER forcefield and new protein simulation protocol

PubMed Central

2016-01-01

ABSTRACT Specialized to simulate proteins in molecular dynamics (MD) simulations with explicit solvation, FF12MC is a combination of a new protein simulation protocol employing uniformly reduced atomic masses by tenfold and a revised AMBER forcefield FF99 with (i) shortened C—H bonds, (ii) removal of torsions involving a nonperipheral sp3 atom, and (iii) reduced 1–4 interaction scaling factors of torsions ϕ and ψ. This article reports that in multiple, distinct, independent, unrestricted, unbiased, isobaric–isothermal, and classical MD simulations FF12MC can (i) simulate the experimentally observed flipping between left‐ and right‐handed configurations for C14–C38 of BPTI in solution, (ii) autonomously fold chignolin, CLN025, and Trp‐cage with folding times that agree with the experimental values, (iii) simulate subsequent unfolding and refolding of these miniproteins, and (iv) achieve a robust Z score of 1.33 for refining protein models TMR01, TMR04, and TMR07. By comparison, the latest general‐purpose AMBER forcefield FF14SB locks the C14–C38 bond to the right‐handed configuration in solution under the same protein simulation conditions. Statistical survival analysis shows that FF12MC folds chignolin and CLN025 in isobaric–isothermal MD simulations 2–4 times faster than FF14SB under the same protein simulation conditions. These results suggest that FF12MC may be used for protein simulations to study kinetics and thermodynamics of miniprotein folding as well as protein structure and dynamics. Proteins 2016; 84:1490–1516. © 2016 The Authors Proteins: Structure, Function, and Bioinformatics Published by Wiley Periodicals, Inc. PMID:27348292

Morphology and Pattern Control of Diphenylalanine Self-Assembly via Evaporative Dewetting.

PubMed

Chen, Jiarui; Qin, Shuyu; Wu, Xinglong; Chu, And Paul K

2016-01-26

Self-assembled peptide nanostructures have unique physical and biological properties and promising applications in electrical devices and functional molecular recognition. Although solution-based peptide molecules can self-assemble into different morphologies, it is challenging to control the self-assembly process. Herein, controllable self-assembly of diphenylalanine (FF) in an evaporative dewetting solution is reported. The fluid mechanical dimensionless numbers, namely Rayleigh, Marangoni, and capillary numbers, are introduced to control the interaction between the solution and FF molecules in the self-assembly process. The difference in the film thickness reflects the effects of Rayleigh and Marangoni convection, and the water vapor flow rate reveals the role of viscous fingering in the emergence of aligned FF flakes. By employing dewetting, various FF self-assembled patterns, like concentric and spokelike, and morphologies, like strips and hexagonal tubes/rods, can be produced, and there are no significant lattice structural changes in the FF nanostructures.

Pretreatment of Eucalyptus in biphasic system for furfural production and accelerated enzymatic hydrolysis.

PubMed

Zhang, Xiudong; Bai, Yuanyuan; Cao, Xuefei; Sun, Runcang

2017-08-01

Herein, an efficient biphasic pretreatment process was developed to improve the production of furfural (FF) and glucose from Eucalyptus. The influence of formic acid and NaCl on FF production from xylose in water and various biphasic systems was investigated. Results showed that the addition of formic acid and NaCl significantly promoted the FF yield, and the biphasic system of MIBK (methyl isobutyl ketone)/water exhibited the best performance for FF production. Then the Eucalyptus was pretreated in the MIBK/water system, and a maximum FF yield of 82.0% was achieved at 180°C for 60min. Surface of the pretreated Eucalyptus became relatively rough and loose, and its crystallinity index increased obviously due to the removal of hemicelluloses and lignin. The pretreated Eucalyptus samples showed much higher enzymatic hydrolysis rates (26.2-70.7%) than the raw Eucalyptus (14.5%). Copyright © 2017 Elsevier Ltd. All rights reserved.

Thermoluminescence response of flat optical fiber subjected to 9 MeV electron irradiations

NASA Astrophysics Data System (ADS)

Hashim, S.; Omar, S. S. Che; Ibrahim, S. A.; Hassan, W. M. S. Wan; Ung, N. M.; Mahdiraji, G. A.; Bradley, D. A.; Alzimami, K.

2015-01-01

We describe the efforts of finding a new thermoluminescent (TL) media using pure silica flat optical fiber (FF). The present study investigates the dose response, sensitivity, minimum detectable dose and glow curve of FF subjected to 9 MeV electron irradiations with various dose ranges from 0 Gy to 2.5 Gy. The above-mentioned TL properties of the FF are compared with commercially available TLD-100 rods. The TL measurements of the TL media exhibit a linear dose response over the delivered dose using a linear accelerator. We found that the sensitivity of TLD-100 is markedly 6 times greater than that of FF optical fiber. The minimum detectable dose was found to be 0.09 mGy for TLD-100 and 8.22 mGy for FF. Our work may contribute towards the development of a new dosimeter for personal monitoring purposes.

Properties of single motor units in medial gastrocnemius muscles of adult and old rats.

PubMed Central

Kadhiresan, V A; Hassett, C A; Faulkner, J A

1996-01-01

1. The purpose of this study was to determine the role of motor unit remodelling in the deficit that develops in the maximum isometric tetanic force (Fo) of whole medial gastrocnemius (MGN) muscles in old compared with adult rats. The Fo values and morphological data were determined for MGN muscles and eighty-two single motor units in muscles of adult (10-12 months) and sixty-two units in those of old (24-26 months) F344 rats. During an unfused tetanus, fast and slow (S) motor units were identified by the presence and absence of sag, respectively. Fast-fatigable (FF) and fast-fatigue-resistant (FR) units were classified by fatigue indices less than or greater than 0.50, respectively. 2. For old rats, whole MGN muscle Fo was 29% less than the value of 11.2 N measured for adult rats. The deficit in whole muscle Fo of old rats resulted from equivalent decreases in the number of motor units, 16% smaller than the adult value of ninety-seven, and in the mean motor unit Fo value, 14% less than the adult value of 117 mN. 3. With ageing, little motor unit remodelling occurred in FR units, whereas the S and FF motor units demonstrated dramatic, but opposing, changes. For S units, the number of units remained constant, but the number of fibres per motor unit increased 3-fold from 57 to 165. In contrast, the number of FF units decreased by 34% and the number of fibres per motor unit of the remaining units decreased to 86% of the adult value of 333. The age-related remodelling of motor units appeared to involve denervation of fast muscle fibres with reinnervation of denervated fibres by axonal sprouting from slow fibres. PMID:8782115

Termination of atrial fibrillation using pulsed low-energy far-field stimulation

PubMed Central

Fenton, Flavio H.; Luther, Stefan; Cherry, Elizabeth M.; Otani, Niels F.; Krinsky, Valentin; Pumir, Alain; Bodenschatz, Eberhard; Gilmour, Robert F.

2010-01-01

Background Electrically-based therapies for terminating atrial fibrillation (AF) currently fall into two categories: anti-tachycardia pacing (ATP) and cardioversion. ATP utilizes low-intensity pacing stimuli delivered via a single electrode and is effective for terminating slower tachycardias, but is less effective for treating AF. In contrast, cardioversion uses a single high-voltage shock to terminate AF reliably, but the voltages required produce undesirable side effects, including tissue damage and pain. We propose a new method to terminate AF called far-field anti-fibrillation pacing (FF-AFP), which delivers a short train of low-intensity electrical pulses at the frequency of ATP, but from field electrodes. Prior theoretical work has suggested that this approach can create a large number of activation sites (“virtual” electrodes) that emit propagating waves within the tissue without implanting physical electrodes and thereby may be more effective than point-source stimulation. Methods and Results Using optical mapping in isolated perfused canine atrial preparations, we show that a series of pulses at low field strength (0.9-1.4 V/cm) is sufficient to entrain and subsequently extinguish AF with a success rate of 93 percent (69/74 trials in 8 preparations). We further demonstrate that the mechanism behind FFAFP success is the generation of wave emission sites within the tissue by the applied electric field, which entrains the tissue as the field is pulsed. Conclusions AF in our model can be terminated by FF-AFP using only 13% of the energy required for cardioversion. Further studies are needed to determine whether this marked reduction in energy can increase the effectiveness and safety of terminating atrial tachyarrhythmias clinically. PMID:19635972

A novel productivity-driven logic element for field-programmable devices

NASA Astrophysics Data System (ADS)

Marconi, Thomas; Bertels, Koen; Gaydadjiev, Georgi

2014-06-01

Although various techniques have been proposed for power reduction in field-programmable devices (FPDs), they are still all based on conventional logic elements (LEs). In the conventional LE, the output of the combinational logic (e.g. the look-up table (LUT) in many field-programmable gate arrays (FPGAs)) is connected to the input of the storage element; while the D flip-flop (DFF) is always clocked even when not necessary. Such unnecessary transitions waste power. To address this problem, we propose a novel productivity-driven LE with reduced number of transitions. The differences between our LE and the conventional LE are in the FFs-type used and the internal LE organisation. In our LEs, DFFs have been replaced by T flip-flops with the T input permanently connected to logic value 1. Instead of connecting the output of the combinational logic to the FF input, we use it as the FF clock. The proposed LE has been validated via Simulation Program with Integrated Circuit Emphasis (SPICE) simulations for a 45-nm Complementary Metal-Oxide-Semiconductor (CMOS) technology as well as via a real Computer-Aided Design (CAD) tools on a real FPGA using the standard Microelectronic Center of North Carolina (MCNC) benchmark circuits. The experimental results show that FPDs using our proposal not only have 48% lower total power but also run 17% faster than conventional FPDs on average.

Consistency of Fear of Failure Score Meanings among 8- to 18-Year-Old Female Athletes

ERIC Educational Resources Information Center

Conroy, David E.; Coatsworth, J. Douglas; Kaye, Miranda P.

2007-01-01

Fear of failure (FF) energizes individuals to avoid failure because of the learned aversive consequences of failing (e.g., shame). Although FF is socialized in childhood, little is known about the meaning of scores from FF measures used with children and adolescents. This study addresses that void by establishing a preliminary nomological network…

40 CFR 63.1092 - What are the major differences between the requirements of 40 CFR part 61, subpart FF, and the...

Code of Federal Regulations, 2014 CFR

2014-07-01

... the requirements of 40 CFR part 61, subpart FF, and the waste requirements for ethylene production... Waste Operations Background for Waste Requirements § 63.1092 What are the major differences between the requirements of 40 CFR part 61, subpart FF, and the waste requirements for ethylene production sources? The...

Positional effects of monofluorinated phenylalanines on histone acetyltransferase stability and activity.

PubMed

Voloshchuk, Natalya; Zhu, Anita Y; Snydacker, David; Montclare, Jin Kim

2009-09-15

To explore the impact of global incorporation of fluorinated aromatic amino acids on protein function, we investigated the effects of three monofluorinated phenylalanine analogs para-fluorophenylalanine (pFF), meta-fluorophenylalanine (mFF), and ortho-fluorophenylalanine (oFF) on the stability and enzymatic activity of the histone acetyltransferase (HAT), tGCN5. We selected this set of fluorinated amino acids because they bear the same size and overall polarity but alter in side chain shape and dipole direction. Our experiments showed that among three fluorinated amino acids, the global incorporation of pFF affords the smallest perturbation to the structure and function of tGCN5.

"We like Fried Things": Negotiating Health and Taste among Hispanic Caribbean Communities in New York City.

PubMed

Fuster, Melissa

2017-01-01

The study was conducted to understand fried-food (FF) consumption among Hispanic Caribbean (HC) communities in New York City. Data were collected through qualitative interviews with 23 adults self-identified as Cuban, Dominican, or Puerto Rican. Most informants considered FFs an important part of their traditional diet. Potential explanations included taste, cost, convenience, and the emotive values attached to FF. FF consumption was contextualized in local foodscapes. Results include strategies to diminish FF consumption and differences across HC groups and migratory generations. The relevance for future nutrition interventions addressing health disparities in this community is discussed.

Spatial variability of greenhouse gases emissions (CO2, CH4, N2O) in a tropical hydroelectric reservoir flooding primary forest (Petit Saut Reservoir, French Guiana)

NASA Astrophysics Data System (ADS)

Cailleaud, Emilie; Guérin, Frédéric; Bouillon, Steven; Sarrazin, Max; Serça, Dominique

2014-05-01

At the Petit Saut Reservoir (PSR, French Guiana, South America), vertical profiles were performed at 5 stations in the open waters (OW) and 6 stations in two shallow flooded forest (FF) areas between April 2012 and September 2013. Measurements included physico-chemical parameters, ammonium, nitrate and dissolved greenhouse gas (CO2, CH4, N2O) concentrations, dissolved and particulate organic carbon (DOC, POC) and nitrogen (PN), δ13C-POC and δ15N-PN . The diffusive fluxes were calculated from surface concentrations. The aim of this study was to estimate the spatial variations of greenhouse gas emissions at a dentrical hydroelectric reservoir located in the tropics and flooding primary forest. Twenty years after impoundment, the water column of the PSR is permanently and tightly stratified thermally in the FF whereas in the OW, the thermal gradients are not as stable. The different hydrodynamical behaviours between the two different zones have significant consequences on the biogeochemistry: oxygen barely diffuses down to the hypolimnion in the FF whereas destratification occurs sporadically during the rainy season in the OW. Although we found the same range of POC in the FF and the OW (2.5-29 μmol L-1) and 20% more DOC at the bottom of OW than in the FF (229-878 μmol L-1), CO2 and CH4 concentrations were always significantly higher in the FF (CO2: 11-1412 μmol L-1, CH4: 0.001-1015 μmol L-1) than in the OW. On average, the CO2 concentrations were 30-40% higher in the FF than in the OW and the CH4 concentrations were three times higher in the FF than in the OW. The δ13C-POC and C:N values did not suggest substantial differences in the sources of OM between the FF and OW. At all stations, POC at the bottom has an isotopic signature slightly lighter than the terrestrial OM in the surrounding forest whereas the isotopic signature of surface POM would result from phytoplankton and methanotrophs. The vertical profiles of nitrogen compounds reveal that the main source of nitrogen in the water column of the PSR is the NH4+ produced during the mineralisation of the OM at the bottom of the reservoir. In OW, the production of NO3- and N2O is enhanced compared to the FF. As a result, N2O concentrations are three times higher at the bottom of OW but surface concentrations are similar in the FF and OW. CO2 diffusive fluxes are 40% higher and CH4 diffusive fluxes are three times higher in FF (CO2: 42±20 mmol m-2 d-1 ; CH4: 0.7±1.4 mmol m-2 d-1) than in OW (CO2: 27±17 mmol m-2 d-1 ; CH4: 0.2±0.3 mmol m-2 d-1). In shallow FF, average CH4 ebullition is 3±10 mmol m-2 d-1 whereas ebullition was never observed in OW. N2O emissions did not exhibit any spatial variability (9±4 μmol m-2 d-1). At the PSR, FF which represents one third of the surface area, is responsible of half of the GHG emissions from the reservoir. This implies that the emissions from most of the tropical reservoirs flooding primary forest need to be reassessed since FF environments are usually overlooked.

Reactive molecular dynamics of the initial oxidation stages of Ni111 in pure water: effect of an applied electric field.

PubMed

Assowe, O; Politano, O; Vignal, V; Arnoux, P; Diawara, B; Verners, O; van Duin, A C T

2012-12-06

Corrosion processes occurring in aqueous solutions are critically dependent upon the interaction between the metal electrode and the solvent. In this work, the interaction of a nickel substrate with water molecules has been investigated using reactive force field (ReaxFF) molecular dynamics simulations. This approach was originally developed by van Duin and co-workers to study hydrocarbon chemistry and the catalytic properties of organic compounds. To our knowledge, this method has not previously been used to study the corrosion of nickel. In this work, we studied the interaction of 480 molecules of water (ρ = 0.99 g·cm(-3)) with Ni(111) surfaces at 300 K. The results showed that a water "bilayer" was adsorbed on the nickel surface. In the absence of an applied electric field, no dissociation of water was observed. However, the nickel atoms at the surface were charged positively, whereas the first water layer was charged negatively, indicating the formation of an electric double layer. To study the corrosion of nickel in pure water, we introduced an external electric field between the metal and the solution. The electric field intensity varied between 10 and 20 MeV/cm. The presence of this electric field led to oxidation of the metal surface. The structural and morphological differences associated with the growth of this oxide film in the presence of the electric field were evaluated. The simulated atomic trajectories were used to analyze the atomic displacement during the reactive process. The growth of the oxide scale on the nickel surface was primarily due to the movement of anions toward the interior of the metal substrate and the migration of nickel toward the free surface. We found that increasing the electric field intensity sped up the corrosion of nickel. The results also showed that the oxide film thickness increased linearly with increasing electric field intensity.

Noncompound nucleus decay contribution in the 12C+93Nb reaction using various formulations of nuclear proximity potential

NASA Astrophysics Data System (ADS)

Chopra, Sahila; Kaur, Arshdeep; Gupta, Raj K.

2015-01-01

The earlier study of excitation functions of *105Ag, formed in the 12C+93Nb reaction, based on the dynamical cluster-decay model (DCM), using the pocket formula for nuclear proximity potential is extended to the use of other nuclear interaction potentials derived from the Skyrme energy density functional (SEDF) based on the semiclassical extended Thomas Fermi (ETF) approach and to the use of the extended-Wong model of Gupta and collaborators. The Skyrme forces used are the old SIII and SIV and the new SSk, GSkI, and KDE0(v1) given for both normal and isospin-rich nuclei, with densities added in the frozen-density approximation. Taking advantage of the fact that different Skyrme forces provide different barrier characteristics, we look for the "barrier modification" effects in terms of choosing an appropriate force and hence for the existence or nonexistence of noncompound nucleus (nCN) effects in this reaction. Interestingly, independent of the choice of Skyrme or proximity force, the extended-Wong model fits the experimental data nicely, without any barrier modification and hence no nCN component in the measured fusion cross section, which consists of light-particle evaporation residue (ER) and intermediate-mass fragments (IMFs) up to mass 13, i.e., σfusionExpt .=σER+σIMFs . However, the predicted fusion cross section due to the extended-Wong model is much larger, possibly because of the so-far missing fusion-fission (ff) component in the data. On the other hand, in agreement with the earlier work using the pocket proximity potential, the DCM fits only some data (mainly IMFs) for only some Skyrme forces, and hence it presents the chosen reaction as a case of a large nCN component, whose empirically estimated content is fitted for use of the DCM with a fragment preformation factor taken equal to one, i.e., using DCM (P0=1 ), by introducing "barrier modification" through changing the neck-length parameter Δ R for a best fit to the empirical nCN data in each (ER and IMF) decay channel. Also, the ff component of the DCM is predicted to lie around the symmetric mass A /2 ±16 . All calculations are made for deformed and oriented coplanar nuclei.

Studies on the Reduction of Intermodulation Generation in Communications Systems

DTIC Science & Technology

1980-07-07

AGENCY NAME & ADDRESS(ff dillfetmn from Controlling Office) IS. SECURITY CLASS. (of this report) Unclassified ISO . DECLASSIFICATION DOWNGRAD-ING SCHEDULE...FIELD 40GAUSS 120 GAUSS ISO GAUSS 340 GAUSS 1MG OSCILLOGRAMS OF 񓰨’ STAINLESS STEEL ADAPTER (SAMPLE A WITH EXTERNAL 2kHz AC MAGNETIC FIELD I PEAK...34P1 (,I P,2 -90- 7.07 GC; 0 V - iSo . .. _ 3D -100- AL(N23> ,-J/ -OLD/ / / OF-110 . O/ 070> V(HNS)// 2 -120 A(3080) , -i0.22 AL( NP) . / AG (H SI

The spatial distribution of fossil fuel CO2 traced by Δ(14)C in the leaves of gingko (Ginkgo biloba L.) in Beijing City, China.

PubMed

Niu, Zhenchuan; Zhou, Weijian; Zhang, Xiaoshan; Wang, Sen; Zhang, Dongxia; Lu, Xuefeng; Cheng, Peng; Wu, Shugang; Xiong, Xiaohu; Du, Hua; Fu, Yunchong

2016-01-01

Atmospheric fossil fuel CO2 (CO2ff ) information is an important reference for local government to formulate energy-saving and emission reduction in China. The CO2ff spatial distribution in Beijing City was traced by Δ(14)C in the leaves of gingko (Ginkgo biloba L.) from late March to September in 2009. The Δ(14)C values were in the range of -35.2 ± 2.8∼15.5 ± 3.2 ‰ (average 3.4 ± 11.8 ‰), with high values found at suburban sites (average 12.8 ± 3.1 ‰) and low values at road sites (average -8.4 ± 18.1 ‰). The CO2ff concentrations varied from 11.6 ± 3.7 to 32.5 ± 9.0 ppm, with an average of 16.4 ± 4.9 ppm. The CO2ff distribution in Beijing City showed spatial heterogeneity. CO2ff hotspots were found at road sites resulted from the emission from vehicles, while low CO2ff concentrations were found at suburban sites because of the less usage of fossil fuels. Additionally, CO2ff concentrations in the northwest area were generally higher than those in the southeast area due to the disadvantageous topography.

[Correlation between vertebral bone marrow fat and abdomen fat: a prospective study].

PubMed

Zhang, Xiao-Dong; Zhao, Yin-Xia; Zhao, Wen-Ji; Zhang, Ling-Yan; Yan, Jie-Wen; Hao, Shuai; Lu, Xiong-Guang; Zhao, Jing; Li, Shao-Lin

2016-02-01

To investigate the correlation between the lumbar bone marrow fat and abdominal fat. A total of 68 individuals (32 men and 36 women, aged 21-74 years with a median of 49.5 years) were included in this study. All the subjects underwent spectroscopic examination of the third lumber vertebra with the single voxel method on a 1.5T MR scanner to measure the fat fraction (FF%). Quantitative CT was also performed for measurement of the abdomen subcutaneous adipose tissue (SAT) and visceral adipose tissue (VAT). The measurements were compared between subjects aged ≥50 years and those below 50 years, respectively,in male or female subjects. In male subjects, BMI, FF%, VAT or SAT showed no significant differences between the two age groups (P>0.05), and FF% was not correlated with BMI, VAT or SAT (r=0.109, 0.034, 0.066, respectively; P>0.05). In the female subjects, BMI, FF%, VAT and SAT differed significantly between the two age groups (P<0.05), and in ≥50 years group, FF% showed a positive correlation with VAT (r=0.499, P<0.05) but was not correlated with SAT (r=0.221, P>0.05); in<50 years group, FF% was not correlated with VAT or SAT (r=0.076, -0.067, respectively; P>0.05). FF% is positively correlated with VAT in female subjects aged beyond 50 years, but is not correlated with VAT or SAT in male subjects or in younger female subjects.

Robust transcriptional tumor signatures applicable to both formalin-fixed paraffin-embedded and fresh-frozen samples

PubMed Central

Cheng, Jun; He, Jun; Liu, Huaping; Cai, Hao; Hong, Guini; Zhang, Jiahui; Li, Na; Ao, Lu; Guo, Zheng

2017-01-01

Formalin-fixed paraffin-embedded (FFPE) samples represent a valuable resource for clinical researches. However, FFPE samples are usually considered an unreliable source for gene expression analysis due to the partial RNA degradation. In this study, through comparing gene expression profiles between FFPE samples and paired fresh-frozen (FF) samples for three cancer types, we firstly showed that expression measurements of thousands of genes had at least two-fold change in FFPE samples compared with paired FF samples. Therefore, for a transcriptional signature based on risk scores summarized from the expression levels of the signature genes, the risk score thresholds trained from FFPE (or FF) samples could not be applied to FF (or FFPE) samples. On the other hand, we found that more than 90% of the relative expression orderings (REOs) of gene pairs in the FF samples were maintained in their paired FFPE samples and largely unaffected by the storage time. The result suggested that the REOs of gene pairs were highly robust against partial RNA degradation in FFPE samples. Finally, as a case study, we developed a REOs-based signature to distinguish liver cirrhosis from hepatocellular carcinoma (HCC) using FFPE samples. The signature was validated in four datasets of FFPE samples and eight datasets of FF samples. In conclusion, the valuable FFPE samples can be fully exploited to identify REOs-based diagnostic and prognostic signatures which could be robustly applicable to both FF samples and FFPE samples with degraded RNA. PMID:28036264

Subaperture correlation based digital adaptive optics for full field optical coherence tomography.

PubMed

Kumar, Abhishek; Drexler, Wolfgang; Leitgeb, Rainer A

2013-05-06

This paper proposes a sub-aperture correlation based numerical phase correction method for interferometric full field imaging systems provided the complex object field information can be extracted. This method corrects for the wavefront aberration at the pupil/ Fourier transform plane without the need of any adaptive optics, spatial light modulators (SLM) and additional cameras. We show that this method does not require the knowledge of any system parameters. In the simulation study, we consider a full field swept source OCT (FF SSOCT) system to show the working principle of the algorithm. Experimental results are presented for a technical and biological sample to demonstrate the proof of the principle.

Influence of Grain Structure and Doping on the Deformation and Fracture of Polycrystalline Silicon for MEMS/NEMS

DTIC Science & Technology

2012-08-01

electric fields. 0 200 400 600 -15 -5 5 15 S tr es s (M P a) Electric Field ( MVm -1) S. Yagnamurthy, I. Chasiotis, J. Lambros, R. Polcawich, J. Pulskamp, M...0.04 0 5 10 15 F o rc e (N ) Electric Field ( MVm -1) 0 MPa 100 MPa 200 MPa 300 MPa 400 MPa -55 -50 -45 -40 -35 -30 -25 0 5 10 15 e 3 1 ,e ff (N V -1 m...1 ) Electric Field ( MVm -1) 0 MPa 100 MPa 200 MPa 300 MPa 400 MPa S. Yagnamurthy, I. Chasiotis, J. Lambros, R. Polcawich, J. Pulskamp, M. Dubey

Role of Electrostatic Interactions in Binding of Peptides and Intrinsically Disordered Proteins to Their Folded Targets: 2. The Model of Encounter Complex Involving the Double Mutant of the c-Crk N-SH3 Domain and Peptide Sos.

PubMed

Yuwen, Tairan; Xue, Yi; Skrynnikov, Nikolai R

2016-03-29

In the first part of this work (paper 1, Xue, Y. et al. Biochemistry 2014 , 53 , 6473 ), we have studied the complex between the 10-residue peptide Sos and N-terminal SH3 domain from adaptor protein c-Crk. In the second part (this paper), we designed the double mutant of the c-Crk N-SH3 domain, W169F/Y186L, with the intention to eliminate the interactions responsible for tight peptide-protein binding, while retaining the interactions that create the initial electrostatic encounter complex. The resulting system was characterized experimentally by measuring the backbone and side-chain (15)N relaxation rates, as well as binding shifts and (1)H(N) temperature coefficients. In addition, it was also modeled via a series of ∼5 μs molecular dynamics (MD) simulations recorded in a large water box under an Amber ff99SB*-ILDN force field. Similar to paper 1, we have found that the strength of arginine-aspartate and arginine-glutamate salt bridges is overestimated in the original force field. To address this problem we have applied the empirical force-field correction described in paper 1. Specifically, the Lennard-Jones equilibrium distance for the nitrogen-oxygen pair across Arg-to-Asp/Glu salt bridges has been increased by 3%. This modification led to MD models in good agreement with the experimental data. The emerging picture is that of a fuzzy complex, where the peptide "dances" over the surface of the protein, making transient contacts via salt-bridge interactions. Every once in a while the peptide assumes a certain more stable binding pose, assisted by a number of adventitious polar and nonpolar contacts. On the other hand, occasionally Sos flies off the protein surface; it is then guided by electrostatic steering to quickly reconnect with the protein. The dynamic interaction between Sos and the double mutant of c-Crk N-SH3 gives rise to only small binding shifts. The peptide retains a high degree of conformational mobility, although it is appreciably slowed down due to its (loose) association with the protein. Note that spin relaxation data are indispensable in determining the dynamic status of the peptide. Such data can be properly modeled only on a basis of bona fide MD simulations, as shown in our study. We anticipate that in future the field will move away from the ensemble view of protein disorder and toward more sophisticated MD models. This will require further optimization of force fields, aimed specifically at disordered systems. Efforts in this direction have been recently initiated by several research groups; the empirical salt-bridge correction proposed in our work falls in the same category. MD models obtained with the help of suitably refined force fields and guided by experimental NMR data will provide a powerful insight into an intricate world of disordered biomolecules.

Fecal microbiota transplant

MedlinePlus

... difficile - fecal transplant; Pseudomembranous colitis - fecal transplant References Ferri FF. Clostridium difficile infection. In: Ferri FF, ed. Ferri's Clinical Advisor 2017. Philadelphia, PA: ...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2008

DOT National Transportation Integrated Search

2008-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2009

DOT National Transportation Integrated Search

2009-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2004

DOT National Transportation Integrated Search

2004-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2007

DOT National Transportation Integrated Search

2007-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2006

DOT National Transportation Integrated Search

2006-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2005

DOT National Transportation Integrated Search

2005-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Data Bank 28IS(FF) - T-100 International Segment Data, US Air Carriers Traffic and Capacity Data (World Area Code) - 3 Year Restricted (includes foreign point and foreign Point by US Carrier) : [2003

DOT National Transportation Integrated Search

2003-01-01

This CD presents nonstop operations (segments) as reported by U.S. air carriers. These data are releasable after a 3 year confidentiality period and include U.S. Air Carrier foreign point to foreign point traffic. These data fields contain informatio...

Aerosols at the Poles: An Aerocom Phase II Multi-Model Evaluation

NASA Technical Reports Server (NTRS)

Sand, Maria; Bauer, Susanne E.; Samset, Bjorn H.; Balkanski, Yves; Bellouin, Nicolas; Berntsen, Terje K.; Bian, Huisheng; Chin, Mian; Diehl, Thomas; Easter, Richard;

Aerosols at the poles: an AeroCom Phase II multi-model evaluation

NASA Astrophysics Data System (ADS)

Sand, Maria; Samset, Bjørn H.; Balkanski, Yves; Bauer, Susanne; Bellouin, Nicolas; Berntsen, Terje K.; Bian, Huisheng; Chin, Mian; Diehl, Thomas; Easter, Richard; Ghan, Steven J.; Iversen, Trond; Kirkevåg, Alf; Lamarque, Jean-François; Lin, Guangxing; Liu, Xiaohong; Luo, Gan; Myhre, Gunnar; van Noije, Twan; Penner, Joyce E.; Schulz, Michael; Seland, Øyvind; Skeie, Ragnhild B.; Stier, Philip; Takemura, Toshihiko; Tsigaridis, Kostas; Yu, Fangqun; Zhang, Kai; Zhang, Hua

2017-10-01

Atmospheric aerosols from anthropogenic and natural sources reach the polar regions through long-range transport and affect the local radiation balance. Such transport is, however, poorly constrained in present-day global climate models, and few multi-model evaluations of polar anthropogenic aerosol radiative forcing exist. Here we compare the aerosol optical depth (AOD) at 550 nm from simulations with 16 global aerosol models from the AeroCom Phase II model intercomparison project with available observations at both poles. We show that the annual mean multi-model median is representative of the observations in Arctic, but that the intermodel spread is large. We also document the geographical distribution and seasonal cycle of the AOD for the individual aerosol species: black carbon (BC) from fossil fuel and biomass burning, sulfate, organic aerosols (OAs), dust, and sea-salt. For a subset of models that represent nitrate and secondary organic aerosols (SOAs), we document the role of these aerosols at high latitudes.The seasonal dependence of natural and anthropogenic aerosols differs with natural aerosols peaking in winter (sea-salt) and spring (dust), whereas AOD from anthropogenic aerosols peaks in late spring and summer. The models produce a median annual mean AOD of 0.07 in the Arctic (defined here as north of 60° N). The models also predict a noteworthy aerosol transport to the Antarctic (south of 70° S) with a resulting AOD varying between 0.01 and 0.02. The models have estimated the shortwave anthropogenic radiative forcing contributions to the direct aerosol effect (DAE) associated with BC and OA from fossil fuel and biofuel (FF), sulfate, SOAs, nitrate, and biomass burning from BC and OA emissions combined. The Arctic modelled annual mean DAE is slightly negative (-0.12 W m-2), dominated by a positive BC FF DAE in spring and a negative sulfate DAE in summer. The Antarctic DAE is governed by BC FF. We perform sensitivity experiments with one of the AeroCom models (GISS modelE) to investigate how regional emissions of BC and sulfate and the lifetime of BC influence the Arctic and Antarctic AOD. A doubling of emissions in eastern Asia results in a 33 % increase in Arctic AOD of BC. A doubling of the BC lifetime results in a 39 % increase in Arctic AOD of BC. However, these radical changes still fall within the AeroCom model range.

Initial stage oxidation on nano-trenched Si(1 0 0) surface

NASA Astrophysics Data System (ADS)

Sun, Yu; Liu, Yi-Lun; Izumi, Satoshi; Chen, Xue-Feng; Zhai, Zhi; Tian, Shao-Hua

2018-01-01

As the size of an electronic element shrinks to nanoscale, trench design of Si strongly influences the performance of related semiconductor devices. By reactive force field molecular dynamics (ReaxFF MD) simulation, the initial stage oxidation on nano-trenched Si(1 0 0) angled 60°, 90°, 120°, 150° under temperatures from 300 K to 1200 K has been studied. Inhomogeneous oxidation at the convex-concave corners of the Si surface was observed. In general, the initial oxidation process on the Si surface was that, firstly, the O atoms ballistically transported into surface, then a high O concentration induced compressive stress at the surface layers, which prevented further oxidation. Compared to the concave corner, the convex one contacted a larger volume of oxygen at the very beginning stage, leading an anisotropic absorption of O atoms. Afterwards, a critical compression was produced at both the convex and concave corners to limit the oxidation. As a result, an inhomogeneous oxide film grew on nano-trenched Si. Meanwhile, due to enhanced O transport and compression relaxation by increasing temperature, the inhomogeneous oxidation was more obvious under 1200 K. These present results explained the observed experimental phenomena on the oxidation of non-planar Si and provided an aspect on the design of nano-trenched electronic components in the semiconductor field.

SU-F-T-630: Energy Spectral Study On Lipiodol After Trans-Arterial Chemoembolization Using the Flattened and Unflattened Photon Beams

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

Kawahara, D; Medical and Dental Sciences Course, Graduate School of Biomedical & Health Sciences, Hiroshima University, Hiroshima; Ozawa, S

Purpose: SBRT combining transarterial chemoembolization with Lipiodol is expected to improve local control. Our showed that the dose enhancement effect in the Lipiodol with 10X flattening filter free (FFF) was inserted. This study was to investigate the energy fluence variations of electron in the Lipiodol using flattened (FF) and FFF beams. Methods: FF and FFF for 6X and 10X beams by TrueBeam were used in this study. The Lipiodol (3 X 3 X 3 cm{sup 3}) was located at the depth of 5 cm in water, the dose enhancement factor (DEF) and energy fluence were calculated by Monte Carlo (MC)more » calculations (PHITS). Results: DEFs with FF and FFF of 6X were 17.1% and 24.3% at rebuild-up region in the Lipiodol (5.3cm depth), 7.0% and 17.0% at the center of Lipiodol (6.5cm depth), and −13.2% and −8.2% at behind Lipiodol (8.3cm depth). DEFs with FF and FFF of 10X were 21.7% and 15.3% at rebuild-up region, 8.2% and 10.5% at the center of Lipiodol, and −14.0% and −8.6% at behind Lipiodol. Spectral results showed that the FFF beam contained more low-energy (0–0.3MeV) component of electrons than FF beam, and FF beam contained more high-energy (over 0.3MeV) electrons than FFF beam in Lipiodol. Behind the Lipiodol, build-down effect with FF beam was larger than FFF beam because FF beam contained more high energy electrons. The difference of DEFs between FFF and FF beams for 6X were larger than for 10X. This is because 10X beam contained more high-energy electrons. Conclusion: It was found that the 6XFFF beam gives the largest change of energy fluence and the largest DEF in this study. These phenomena are mainly caused by component of low-energy electrons, and this energy is almost correspond to the boundary of photo electronic dominant and Compton scattering dominant region for photon beams.« less