On the stability analysis of sharply stratified shear flows

NASA Astrophysics Data System (ADS)

Churilov, Semyon

2018-05-01

When the stability of a sharply stratified shear flow is studied, the density profile is usually taken stepwise and a weak stratification between pycnoclines is neglected. As a consequence, in the instability domain of the flow two-sided neutral curves appear such that the waves corresponding to them are neutrally stable, whereas the neighboring waves on either side of the curve are unstable, in contrast with the classical result of Miles (J Fluid Mech 16:209-227, 1963) who proved that in stratified flows unstable oscillations can be only on one side of the neutral curve. In the paper, the contradiction is resolved and changes in the flow stability pattern under transition from a model stepwise to a continuous density profile are analyzed. On this basis, a simple self-consistent algorithm is proposed for studying the stability of sharply stratified shear flows with a continuous density variation and an arbitrary monotonic velocity profile without inflection points. Because our calculations and the algorithm are both based on the method of stability analysis (Churilov J Fluid Mech 539:25-55, 2005; ibid, 617, 301-326, 2008), which differs essentially from usually used, the paper starts with a brief review of the method and results obtained with it.

Experimental and theoretical investigation of the stability of stepwise pH gradients in continuous flow electrophoresis

NASA Technical Reports Server (NTRS)

Kuhn, Reinhard; Wagner, Horst; Mosher, Richard A.; Thormann, Wolfgang

1987-01-01

Isoelectric focusing in the continuous flow mode can be more quickly and economically performed by admitting a stepwise pH gradient composed of simple buffers instead of uniform mixtures of synthetic carrier ampholytes. The time-consuming formation of the pH gradient by the electric field is thereby omitted. The stability of a three-step system with arginine - morpholinoethanesulfonic acid/glycylglycine - aspartic acid is analyzed theoretically by one-dimensional computer simulation as well as experimentally at various flow rates in a continuous flow apparatus. Excellent agreement between experimental and theoretical data was obtained. This metastable configuration was found to be suitable for focusing of proteins under continuous flow conditions. The influence of various combinations of electrolytes and membranes between electrophoresis chamber and electrode compartments is also discussed.

Influence of storage conditions on the stability of monomeric anthocyanins studied by reversed-phase high-performance liquid chromatography.

PubMed

Morais, Helena; Ramos, Cristina; Forgács, Esther; Cserháti, Tibor; Oliviera, José

2002-04-25

The effect of light, storage time and temperature on the decomposition rate of monomeric anthocyanin pigments extracted from skins of grape (Vitis vinifera var. Red globe) was determined by reversed-phase high-performance liquid chromatography (RP-HPLC). The impact of various storage conditions on the pigment stability was assessed by stepwise regression analysis. RP-HPLC separated well the five anthocyanins identified and proved the presence of other unidentified pigments at lower concentrations. Stepwise regression analysis confirmed that the overall decomposition rate of monomeric anthocyanins, peonidin-3-glucoside and malvidin-3-glucoside significantly depended on the time and temperature of storage, the effect of storage time being the most important. The presence or absence of light exerted a negligible impact on the decomposition rate.

Estimation of longitudinal stability and control derivatives for an icing research aircraft from flight data

NASA Technical Reports Server (NTRS)

Batterson, James G.; Omara, Thomas M.

1989-01-01

The results of applying a modified stepwise regression algorithm and a maximum likelihood algorithm to flight data from a twin-engine commuter-class icing research aircraft are presented. The results are in the form of body-axis stability and control derivatives related to the short-period, longitudinal motion of the aircraft. Data were analyzed for the baseline (uniced) and for the airplane with an artificial glaze ice shape attached to the leading edge of the horizontal tail. The results are discussed as to the accuracy of the derivative estimates and the difference between the derivative values found for the baseline and the iced airplane. Additional comparisons were made between the maximum likelihood results and the modified stepwise regression results with causes for any discrepancies postulated.

Salinity of the Archaean oceans from analysis of fluid inclusions in quartz

NASA Astrophysics Data System (ADS)

Marty, Bernard; Avice, Guillaume; Bekaert, David V.; Broadley, Michael W.

2018-05-01

Fluids trapped in inclusions in well-characterized Archaean hydrothermal quartz crystals were analyzed by the extended argon-argon method, which permits the simultaneous measurement of chlorine and potassium concentrations. Argon and nitrogen isotopic compositions of the trapped fluids were also determined by static mass spectrometry. Fluids were extracted by stepwise crushing of quartz samples from North Pole (NW Australia) and Barberton (South Africa) 3.5-3.0-Ga-old greenstone belts. The data indicate that fluids are a mixture of a low salinity end-member, regarded as the Archaean oceanic water, and several hydrothermal end-members rich in Cl, K, N, and radiogenic parentless 40Ar. The low Cl-K end-member suggests that the salinity of the Archaean oceans was comparable to the modern one, and that the potassium content of the Archaean oceans was lower than at present by about 40%. A constant salinity of the oceans through time has important implications for the stabilization of the continental crust and for the habitability of the ancient Earth.

A stepwise model to predict monthly streamflow

NASA Astrophysics Data System (ADS)

Mahmood Al-Juboori, Anas; Guven, Aytac

2016-12-01

In this study, a stepwise model empowered with genetic programming is developed to predict the monthly flows of Hurman River in Turkey and Diyalah and Lesser Zab Rivers in Iraq. The model divides the monthly flow data to twelve intervals representing the number of months in a year. The flow of a month, t is considered as a function of the antecedent month's flow (t - 1) and it is predicted by multiplying the antecedent monthly flow by a constant value called K. The optimum value of K is obtained by a stepwise procedure which employs Gene Expression Programming (GEP) and Nonlinear Generalized Reduced Gradient Optimization (NGRGO) as alternative to traditional nonlinear regression technique. The degree of determination and root mean squared error are used to evaluate the performance of the proposed models. The results of the proposed model are compared with the conventional Markovian and Auto Regressive Integrated Moving Average (ARIMA) models based on observed monthly flow data. The comparison results based on five different statistic measures show that the proposed stepwise model performed better than Markovian model and ARIMA model. The R2 values of the proposed model range between 0.81 and 0.92 for the three rivers in this study.

Stability, folding dynamics, and long-range conformational transition of the synaptic t-SNARE complex

PubMed Central

Zhang, Xinming; Rebane, Aleksander A.; Ma, Lu; Li, Feng; Jiao, Junyi; Qu, Hong; Pincet, Frederic; Rothman, James E.

2016-01-01

Synaptic soluble N-ethylmaleimide–sensitive factor attachment protein receptors (SNAREs) couple their stepwise folding to fusion of synaptic vesicles with plasma membranes. In this process, three SNAREs assemble into a stable four-helix bundle. Arguably, the first and rate-limiting step of SNARE assembly is the formation of an activated binary target (t)-SNARE complex on the target plasma membrane, which then zippers with the vesicle (v)-SNARE on the vesicle to drive membrane fusion. However, the t-SNARE complex readily misfolds, and its structure, stability, and dynamics are elusive. Using single-molecule force spectroscopy, we modeled the synaptic t-SNARE complex as a parallel three-helix bundle with a small frayed C terminus. The helical bundle sequentially folded in an N-terminal domain (NTD) and a C-terminal domain (CTD) separated by a central ionic layer, with total unfolding energy of ∼17 kBT, where kB is the Boltzmann constant and T is 300 K. Peptide binding to the CTD activated the t-SNARE complex to initiate NTD zippering with the v-SNARE, a mechanism likely shared by the mammalian uncoordinated-18-1 protein (Munc18-1). The NTD zippering then dramatically stabilized the CTD, facilitating further SNARE zippering. The subtle bidirectional t-SNARE conformational switch was mediated by the ionic layer. Thus, the t-SNARE complex acted as a switch to enable fast and controlled SNARE zippering required for synaptic vesicle fusion and neurotransmission. PMID:27911771

Potentiometric titration for determining the composition and stability of metal(II) alginates and pectinates in aqueous solutions

NASA Astrophysics Data System (ADS)

Kaisheva, N. Sh.; Kaishev, A. Sh.

2015-07-01

The compositions and stabilities of Cu2+, Mn2+, Pb2+, Ca2+, Zn2+, Cd2+, Co2+, and Ni2+ alginates and pectinates are determined in aqueous solutions via titrimetry and potentiometry with calculations performed using Bjerrum's method, the curve intersection technique, and the equilibrium shift method. It is found that the interaction between Cu2+ and polyuronides is a stepwise process and, depending on the ligand concentration and the method of determination, Cu2+ alginate can be characterized by its ML, ML2, and ML3 compositions (where M is the metal ion and L is the structural unit of polyuronide) and stability constants logβ = 2.65, 5.00-5.70, and 7.18-7.80, respectively. The compositions of Cu2+ pectinates are ML and ML2 with logβ = 3.00 and 7.64-7.94, respectively. It is concluded that Pb2+, Ca2+, Mn2+, Zn2+, Cd2+, Co2+, and Ni2+ ions form only alginates and pectinates of ML2 composition with logβ values of 3.45 (Pb2+ alginate), 2.20 (Ca2+ alginate), 1.06 (Mn2+ alginate), 3.51 (Pb2+ pectinate), 2.35 (Ca2+ pectinate), and 1.24 (Mn2+ pectinate). The pectinates are shown to be more stable than the alginates, the most stable compounds being those formed by polyuronides and Cu2+. The least stable are those with Mn2+.

Stepwise pH-responsive nanoparticles for enhanced cellular uptake and on-demand intracellular release of doxorubicin.

PubMed

Chen, Wei-Liang; Li, Fang; Tang, Yan; Yang, Shu-di; Li, Ji-Zhao; Yuan, Zhi-Qiang; Liu, Yang; Zhou, Xiao-Feng; Liu, Chun; Zhang, Xue-Nong

2017-01-01

Physicochemical properties, including particle size, zeta potential, and drug release behavior, affect targeting efficiency, cellular uptake, and antitumor effect of nanocarriers in a formulated drug-delivery system. In this study, a novel stepwise pH-responsive nanodrug delivery system was developed to efficiently deliver and significantly promote the therapeutic effect of doxorubicin (DOX). The system comprised dimethylmaleic acid-chitosan-urocanic acid and elicited stepwise responses to extracellular and intracellular pH. The nanoparticles (NPs), which possessed negative surface charge under physiological conditions and an appropriate nanosize, exhibited advantageous stability during blood circulation and enhanced accumulation in tumor sites via enhanced permeability and retention effect. The tumor cellular uptake of DOX-loaded NPs was significantly promoted by the first-step pH response, wherein surface charge reversion of NPs from negative to positive was triggered by the slightly acidic tumor extracellular environment. After internalization into tumor cells, the second-step pH response in endo/lysosome acidic environment elicited the on-demand intracellular release of DOX from NPs, thereby increasing cytotoxicity against tumor cells. Furthermore, stepwise pH-responsive NPs showed enhanced antiproliferation effect and reduced systemic side effect in vivo. Hence, the stepwise pH-responsive NPs provide a promising strategy for efficient delivery of antitumor agents.

Stepwise pH-responsive nanoparticles for enhanced cellular uptake and on-demand intracellular release of doxorubicin

PubMed Central

Chen, Wei-liang; Li, Fang; Tang, Yan; Yang, Shu-di; Li, Ji-zhao; Yuan, Zhi-qiang; Liu, Yang; Zhou, Xiao-feng; Liu, Chun; Zhang, Xue-nong

2017-01-01

Physicochemical properties, including particle size, zeta potential, and drug release behavior, affect targeting efficiency, cellular uptake, and antitumor effect of nanocarriers in a formulated drug-delivery system. In this study, a novel stepwise pH-responsive nanodrug delivery system was developed to efficiently deliver and significantly promote the therapeutic effect of doxorubicin (DOX). The system comprised dimethylmaleic acid-chitosan-urocanic acid and elicited stepwise responses to extracellular and intracellular pH. The nanoparticles (NPs), which possessed negative surface charge under physiological conditions and an appropriate nanosize, exhibited advantageous stability during blood circulation and enhanced accumulation in tumor sites via enhanced permeability and retention effect. The tumor cellular uptake of DOX-loaded NPs was significantly promoted by the first-step pH response, wherein surface charge reversion of NPs from negative to positive was triggered by the slightly acidic tumor extracellular environment. After internalization into tumor cells, the second-step pH response in endo/lysosome acidic environment elicited the on-demand intracellular release of DOX from NPs, thereby increasing cytotoxicity against tumor cells. Furthermore, stepwise pH-responsive NPs showed enhanced antiproliferation effect and reduced systemic side effect in vivo. Hence, the stepwise pH-responsive NPs provide a promising strategy for efficient delivery of antitumor agents. PMID:28652730

Solid-phase synthesis of a nucleopeptide from the linking site of adenovirus-2 nucleoprotein, -Ser(p5'CATCAT)-Gly-Asp-. Convergent versus stepwise strategy.

PubMed Central

Robles, J; Pedroso, E; Grandas, A

1995-01-01

The synthesis of a nucleopeptide with the sequence -Ser(p5'CATCAT)-Gly-Asp- has been undertaken by either convergent or stepwise solid-phase strategies, both of which use base-labile permanent protecting groups. The coupling of phosphitylated protected peptides onto oligonucleotide-resins did not afford the desired nucleopeptide, which was nevertheless obtained after oligonucleotide elongation at the hydroxyl group of the resin-bound peptide and deprotection under mild basic conditions. A preliminary study on the stability of different nucleopeptides to bases is also reported. PMID:7479079

Isothermal Titration Calorimetry in the Student Laboratory

ERIC Educational Resources Information Center

Wadso, Lars; Li, Yujing; Li, Xi

2011-01-01

Isothermal titration calorimetry (ITC) is the measurement of the heat produced by the stepwise addition of one substance to another. It is a common experimental technique, for example, in pharmaceutical science, to measure equilibrium constants and reaction enthalpies. We describe a stirring device and an injection pump that can be used with a…

Feet deformities are correlated with impaired balance and postural stability in seniors over 75

PubMed Central

Puszczalowska-Lizis, Ewa; Bujas, Przemyslaw; Omorczyk, Jaroslaw; Jandzis, Slawomir

2017-01-01

Objective Understanding the factors and mechanisms that determine balance in seniors appears vital in terms of their self-reliance and overall safety. The study aimed to determine the relationship between the features of feet structure and the indicators of postural stability in the elderly. Methods The study group comprised 80 seniors (41F, 39M; aged 75–85 years). CQ-ST podoscope and the CQ-Stab 2P two-platform posturograph were used as primary research tools. The data were analyzed based on Spearman’s rank correlation and forward stepwise regression. Results Analysis of forward stepwise regression identified the left foot length in females and Clarke’s angle of the left foot in men as significant and independent predictors of postural up to 30% of the variance of dependent variables. Conclusions Longer feet provide older women with better stability, whereas in men, the lowering of the longitudinal arch results in postural deterioration. In the elderly, the left lower limb shows greater activity in the stabilizing processes in the standing position than the right one. In gerontological rehabilitation special attention should be paid to the individually tailored, gender-specific treatment, with a view to enhancing overall safety and quality of seniors’ lives. PMID:28877185

Step-wise loss of antidepressant effectiveness with repeated antidepressant trials in bipolar II depression.

PubMed

Amsterdam, Jay D; Lorenzo-Luaces, Lorenzo; DeRubeis, Robert J

2016-11-01

This study examined the relationship between the number of prior antidepressant treatment trials and step-wise increase in pharmacodynamic tolerance (or progressive loss of effectiveness) in subjects with bipolar II depression. Subjects ≥18 years old with bipolar II depression (n=129) were randomized to double-blind venlafaxine or lithium carbonate monotherapy for 12 weeks. Responders (n=59) received continuation monotherapy for six additional months. After controlling for baseline covariates of prior medications, there was a 25% reduction in the likelihood of response to treatment with each increase in the number of prior antidepressant trials (odds ratio [OR]=0.75, unstandardized coefficient [B]=-0.29, standard error (SE)=0.12; χ 2 =5.70, P<.02], as well as a 32% reduction in the likelihood of remission with each prior antidepressant trial (OR=0.68, B=-0.39, SE=0.13; χ 2 =9.71, P=.002). This step-wise increase in pharmacodynamic tolerance occurred in both treatment conditions. Prior selective serotonin reuptake inhibitor (SSRI) therapy was specifically associated with a step-wise increase in tolerance, whereas other prior antidepressants or mood stabilizers were not associated with pharmacodynamic tolerance. Neither the number of prior antidepressants, nor the number of prior SSRIs, or mood stabilizers, were associated with an increase in relapse during continuation therapy. The odds of responding or remitting during venlafaxine or lithium monotherapy were reduced by 25% and 32%, respectively, with each increase in the number of prior antidepressant treatment trials. There was no relationship between prior antidepressant exposure and depressive relapse during continuation therapy of bipolar II disorder. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

The significance of the source of zinc and its anti-VSC effect.

PubMed

Rölla, G; Jonski, G; Young, A

2002-06-01

The anti-VSC (volatile sulphur compounds) effect of zinc is known to be associated with free zinc ions. To examine whether zinc salts with low stability constants were more suitable as sources of zinc in zinc lozenges than zinc salts with high stability constants. The former provide free zinc ions upon dissolution in water, whereas the latter provide few such ions. Identical lozenges were produced which contained either zinc acetate, zinc gluconate (low stability constants), zinc citrate or amino-acid chelated zinc (extremely high stability constants). All the lozenges contained 0.1 per cent of zinc. A test panel of 10 volunteers used the different lozenges randomly. VSC were measured by GC. The lozenge with the highest stability constant was as effective as those with very low stability constants. The anti-VSC effect was thus not related to this constant. These findings may be explained by the possibility that alternative ligands with stronger affinity for zinc than the original ligands in the lozenges may be present in the oral cavity. An in vitro experiment indicated that the sulphide ion (S2-) may be such a ligand.

Associations between dietary and lifestyle risk factors and colorectal cancer in the Scottish population.

PubMed

Theodoratou, Evropi; Farrington, Susan M; Tenesa, Albert; McNeill, Geraldine; Cetnarskyj, Roseanne; Korakakis, Emmanouil; Din, Farhat V N; Porteous, Mary E; Dunlop, Malcolm G; Campbell, Harry

2014-01-01

Colorectal cancer (CRC) accounts for 9.7% of all cancer cases and for 8% of all cancer-related deaths. Established risk factors include personal or family history of CRC as well as lifestyle and dietary factors. We investigated the relationship between CRC and demographic, lifestyle, food and nutrient risk factors through a case-control study that included 2062 patients and 2776 controls from Scotland. Forward and backward stepwise regression was applied and the stability of the models was assessed in 1000 bootstrap samples. The variables that were automatically selected to be included by the forward or backward stepwise regression and whose selection was verified by bootstrap sampling in the current study were family history, dietary energy, 'high-energy snack foods', eggs, juice, sugar-sweetened beverages and white fish (associated with an increased CRC risk) and NSAIDs, coffee and magnesium (associated with a decreased CRC risk). Application of forward and backward stepwise regression in this CRC study identified some already established as well as some novel potential risk factors. Bootstrap findings suggest that examination of the stability of regression models by bootstrap sampling is useful in the interpretation of study findings. 'High-energy snack foods' and high-energy drinks (including sugar-sweetened beverages and fruit juices) as risk factors for CRC have not been reported previously and merit further investigation as such snacks and beverages are important contributors in European and North American diets.

High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner*

PubMed Central

Gagnon, Susannah M. L.; Meloncelli, Peter J.; Zheng, Ruixiang B.; Haji-Ghassemi, Omid; Johal, Asha R.; Borisova, Svetlana N.; Lowary, Todd L.; Evans, Stephen V.

2015-01-01

Homologous glycosyltransferases α-(1→3)-N-acetylgalactosaminyltransferase (GTA) and α-(1→3)-galactosyltransferase (GTB) catalyze the final step in ABO(H) blood group A and B antigen synthesis through sugar transfer from activated donor to the H antigen acceptor. These enzymes have a GT-A fold type with characteristic mobile polypeptide loops that cover the active site upon substrate binding and, despite intense investigation, many aspects of substrate specificity and catalysis remain unclear. The structures of GTA, GTB, and their chimeras have been determined to between 1.55 and 1.39 Å resolution in complex with natural donors UDP-Gal, UDP-Glc and, in an attempt to overcome one of the common problems associated with three-dimensional studies, the non-hydrolyzable donor analog UDP-phosphono-galactose (UDP-C-Gal). Whereas the uracil moieties of the donors are observed to maintain a constant location, the sugar moieties lie in four distinct conformations, varying from extended to the “tucked under” conformation associated with catalysis, each stabilized by different hydrogen bonding partners with the enzyme. Further, several structures show clear evidence that the donor sugar is disordered over two of the observed conformations and so provide evidence for stepwise insertion into the active site. Although the natural donors can both assume the tucked under conformation in complex with enzyme, UDP-C-Gal cannot. Whereas UDP-C-Gal was designed to be “isosteric” with natural donor, the small differences in structure imposed by changing the epimeric oxygen atom to carbon appear to render the enzyme incapable of binding the analog in the active conformation and so preclude its use as a substrate mimic in GTA and GTB. PMID:26374898

A stable solid acid material: Sulfated ZrO2 dispersed on alumina nanotubes

NASA Astrophysics Data System (ADS)

Feng, Yu; Jiaqi, Chen; Xu, Wang; Rui-Feng, Li

2017-02-01

A tubular solid acid catalyst was designed by loading sulfated zirconia into γ-Al2O3 nanotubes using the method of stepwise deposition. The XRD, N2 adsorption-desorption characterization demonstrated that introducing alumina nanotube and SO4 2- anions have played an important role in stabilizing the metastable tetragonal ZrO2 phase, and the sulfated zirconia on the surface of the γ-Al2O3 nanotube has high dispersion and stability. The catalyst reused repeatedly possesses large amounts of acid sites and good acidity, exhibiting high catalytic activity and stability for isopropylbenzene cracking.

Lateral stability analysis for X-29A drop model using system identification methodology

NASA Technical Reports Server (NTRS)

Raney, David L.; Batterson, James G.

1989-01-01

A 22-percent dynamically scaled replica of the X-29A forward-swept-wing airplane has been flown in radio-controlled drop tests at the NASA Langley Research Center. A system identification study of the recorded data was undertaken to examine the stability and control derivatives that influence the lateral behavior of this vehicle with particular emphasis on an observed wing rock phenomenon. All major lateral stability derivatives and the damping-in-roll derivative were identified for angles of attack from 5 to 80 degrees by using a data-partitioning methodology and a modified stepwise regression algorithm.

Stepwise self-assembly of C60 mediated by atomic scale moiré magnifiers

NASA Astrophysics Data System (ADS)

Gruznev, D. V.; Matetskiy, A. V.; Bondarenko, L. V.; Utas, O. A.; Zotov, A. V.; Saranin, A. A.; Chou, J. P.; Wei, C. M.; Lai, M. Y.; Wang, Y. L.

2013-04-01

Self-assembly of atoms or molecules on a crystal surface is considered one of the most promising methods to create molecular devices. Here we report a stepwise self-assembly of C60 molecules into islands with unusual shapes and preferred sizes on a gold-indium-covered Si(111) surface. Specifically, 19-mer islands prefer a non-compact boomerang shape, whereas hexagonal 37-mer islands exhibit extraordinarily enhanced stability and abundance. The stepwise self-assembly is mediated by the moiré interference between an island with its underlying lattice, which essentially maps out the adsorption-energy landscape of a C60 on different positions of the surface with a lateral magnification factor and dictates the probability for the subsequent attachment of C60 to an island’s periphery. Our discovery suggests a new method for exploiting the moiré interference to dynamically assist the self-assembly of particles and provides an unexplored tactic of engineering atomic scale moiré magnifiers to facilitate the growth of monodispersed mesoscopic structures.

Advancing a Model-Validated Statistical Method for Decomposing the Key Oceanic Drivers of Regional Climate: Focus on Northern and Tropical African Climate Variability in the Community Earth System Model (CESM)

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

Wang, Fuyao; Yu, Yan; Notaro, Michael

This study advances the practicality and stability of the traditional multivariate statistical method, generalized equilibrium feedback assessment (GEFA), for decomposing the key oceanic drivers of regional atmospheric variability, especially when available data records are short. An advanced stepwise GEFA methodology is introduced, in which unimportant forcings within the forcing matrix are eliminated through stepwise selection. Method validation of stepwise GEFA is performed using the CESM, with a focused application to northern and tropical Africa (NTA). First, a statistical assessment of the atmospheric response to each primary oceanic forcing is carried out by applying stepwise GEFA to a fully coupled controlmore » run. Then, a dynamical assessment of the atmospheric response to individual oceanic forcings is performed through ensemble experiments by imposing sea surface temperature anomalies over focal ocean basins. Finally, to quantify the reliability of stepwise GEFA, the statistical assessment is evaluated against the dynamical assessment in terms of four metrics: the percentage of grid cells with consistent response sign, the spatial correlation of atmospheric response patterns, the area-averaged seasonal cycle of response magnitude, and consistency in associated mechanisms between assessments. In CESM, tropical modes, namely El Niño–Southern Oscillation and the tropical Indian Ocean Basin, tropical Indian Ocean dipole, and tropical Atlantic Niño modes, are the dominant oceanic controls of NTA climate. In complementary studies, stepwise GEFA is validated in terms of isolating terrestrial forcings on the atmosphere, and observed oceanic and terrestrial drivers of NTA climate are extracted to establish an observational benchmark for subsequent coupled model evaluation and development of process-based weights for regional climate projections.« less

Advancing a Model-Validated Statistical Method for Decomposing the Key Oceanic Drivers of Regional Climate: Focus on Northern and Tropical African Climate Variability in the Community Earth System Model (CESM)

DOE PAGES

Wang, Fuyao; Yu, Yan; Notaro, Michael; ...

2017-09-27

This study advances the practicality and stability of the traditional multivariate statistical method, generalized equilibrium feedback assessment (GEFA), for decomposing the key oceanic drivers of regional atmospheric variability, especially when available data records are short. An advanced stepwise GEFA methodology is introduced, in which unimportant forcings within the forcing matrix are eliminated through stepwise selection. Method validation of stepwise GEFA is performed using the CESM, with a focused application to northern and tropical Africa (NTA). First, a statistical assessment of the atmospheric response to each primary oceanic forcing is carried out by applying stepwise GEFA to a fully coupled controlmore » run. Then, a dynamical assessment of the atmospheric response to individual oceanic forcings is performed through ensemble experiments by imposing sea surface temperature anomalies over focal ocean basins. Finally, to quantify the reliability of stepwise GEFA, the statistical assessment is evaluated against the dynamical assessment in terms of four metrics: the percentage of grid cells with consistent response sign, the spatial correlation of atmospheric response patterns, the area-averaged seasonal cycle of response magnitude, and consistency in associated mechanisms between assessments. In CESM, tropical modes, namely El Niño–Southern Oscillation and the tropical Indian Ocean Basin, tropical Indian Ocean dipole, and tropical Atlantic Niño modes, are the dominant oceanic controls of NTA climate. In complementary studies, stepwise GEFA is validated in terms of isolating terrestrial forcings on the atmosphere, and observed oceanic and terrestrial drivers of NTA climate are extracted to establish an observational benchmark for subsequent coupled model evaluation and development of process-based weights for regional climate projections.« less

Measuring Positive Cooperativity Using the Direct ESI-MS Assay. Cholera Toxin B Subunit Homopentamer Binding to GM1 Pentasaccharide

NASA Astrophysics Data System (ADS)

Lin, Hong; Kitova, Elena N.; Klassen, John S.

2014-01-01

Direct electrospray ionization mass spectrometry (ESI-MS) assay was used to investigate the stepwise binding of the GM1 pentasaccharide β- D-Gal p-(1→3)-β-D-Gal pNAc-(1→4)[α-D-Neu5Ac-(2→3)]-β- D-Gal p-(1→4)-β-D-Glc p (GM1os) to the cholera toxin B subunit homopentamer (CTB5) and to establish conclusively whether GM1os binding is cooperative. Apparent association constants were measured for the stepwise addition of one to five GM1os to CTB5 at pH 6.9 and 22 °C. The intrinsic association constant, which was established from the apparent association constant for the addition of a single GM1os to CTB5, was found to be (3.2 ± 0.2) × 106 M-1. This is in reasonable agreement with the reported value of (6.4 ± 0.3) × 106 M-1, which was measured at pH 7.4 and 25 °C using isothermal titration calorimetry (ITC). Analysis of the apparent association constants provides direct and unambiguous evidence that GM1os binding exhibits small positive cooperativity. Binding was found to be sensitive to the number of ligand-bound nearest neighbor subunits, with the affinities enhanced by a factor of 1.7 and 2.9 when binding occurs next to one or two ligand-bound subunits, respectively. These findings, which provide quantitative support for the binding model proposed by Homans and coworkers [14], highlight the unique strengths of the direct ESI-MS assay for measuring cooperative ligand binding.

Determination of stability constants of aminoglycoside antibiotics with their metal complexes

NASA Astrophysics Data System (ADS)

Tiwow, Vanny M. A.

2014-03-01

One group of aminoglycoside antibiotics contains aminosugars. The aminosugar neomycin B with its derivate product neamine (2-Deoxy-4-0-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-D-Streptamine) was identified as a free ligands and metal complexes. In particular, the stability constants of metal complexes by potentiometric titration techniques were investigated. Our previous study had determined the acid dissociation constants of these aminosugars with few metal complexes in fair depth. In this work, the complexation of two pyridine-containing amino alcohols and an amino sugar (neamine) have been measured potentiometrically. For instance, the stability constant of copper(II) complexation were determine and the model system generated an excellent fit. Stability constants with several metals have been determined and will be reported.

Prediction of trivalent actinide amino(poly)carboxylate complex stability constants using linear free energy relationships with the lanthanide series

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

Uhnak, Nic E.

Prediction of Trivalent Actinide Amino(poly)carboxylate Complex Stability Constants Using Linear Free Energy Relationships with the Lanthanide Series Alternative title: LFER Based Prediction of An(III) APC Stability Constants There is a gap in the literature regarding the complexation of amino(poly)carboxylate (APC) ligands with trivalent actinides (An(III))). The chemistry of the An(III) is nearly identical to that of the trivalent lanthanides Lns, but the An(III) express a slight enhancement when binding APC ligands. Presented in this report is a simple method of predicting the stability constants of the An(III), Pu, Am, Cm, Bk and Cf by using linear free energy relationships (LFER)more » of the An and the lanthanide (Ln) series for 91 APCs. This method produced An stability constants within uncertainty to available literature values for most ligands.« less

Quantitative analysis of the thermal requirements for stepwise physical dormancy-break in seeds of the winter annual Geranium carolinianum (Geraniaceae)

PubMed Central

Gama-Arachchige, N. S.; Baskin, J. M.; Geneve, R. L.; Baskin, C. C.

2013-01-01

Background and Aims Physical dormancy (PY)-break in some annual plant species is a two-step process controlled by two different temperature and/or moisture regimes. The thermal time model has been used to quantify PY-break in several species of Fabaceae, but not to describe stepwise PY-break. The primary aims of this study were to quantify the thermal requirement for sensitivity induction by developing a thermal time model and to propose a mechanism for stepwise PY-breaking in the winter annual Geranium carolinianum. Methods Seeds of G. carolinianum were stored under dry conditions at different constant and alternating temperatures to induce sensitivity (step I). Sensitivity induction was analysed based on the thermal time approach using the Gompertz function. The effect of temperature on step II was studied by incubating sensitive seeds at low temperatures. Scanning electron microscopy, penetrometer techniques, and different humidity levels and temperatures were used to explain the mechanism of stepwise PY-break. Key Results The base temperature (Tb) for sensitivity induction was 17·2 °C and constant for all seed fractions of the population. Thermal time for sensitivity induction during step I in the PY-breaking process agreed with the three-parameter Gompertz model. Step II (PY-break) did not agree with the thermal time concept. Q10 values for the rate of sensitivity induction and PY-break were between 2·0 and 3·5 and between 0·02 and 0·1, respectively. The force required to separate the water gap palisade layer from the sub-palisade layer was significantly reduced after sensitivity induction. Conclusions Step I and step II in PY-breaking of G. carolinianum are controlled by chemical and physical processes, respectively. This study indicates the feasibility of applying the developed thermal time model to predict or manipulate sensitivity induction in seeds with two-step PY-breaking processes. The model is the first and most detailed one yet developed for sensitivity induction in PY-break. PMID:23456728

Synthesis and physicochemical characterization of carbon backbone modified [Gd(TTDA)(H2O)]2- derivatives.

PubMed

Chang, Ya-Hui; Chen, Chiao-Yun; Singh, Gyan; Chen, Hsing-Yin; Liu, Gin-Chung; Goan, Yih-Gang; Aime, Silvio; Wang, Yun-Ming

2011-02-21

The present study was designed to exploit optimum lipophilicity and high water-exchange rate (k(ex)) on low molecular weight Gd(III) complexes to generate high bound relaxivity (r(1)(b)), upon binding to the lipophilic site of human serum albumin (HSA). Two new carbon backbone modified TTDA (3,6,10-tri(carboxymethyl)-3,6,10-triazadodecanedioic acid) derivatives, CB-TTDA and Bz-CB-TTDA, were synthesized. The complexes [Gd(CB-TTDA)(H(2)O)](2-) and [Gd(Bz-CB-TTDA)(H(2)O)](2-) both display high stability constant (log K(GdL) = 20.28 and 20.09, respectively). Furthermore, CB-TTDA (log K(Gd/Zn) = 4.22) and Bz-CB-TTDA (log K(Gd/Zn) = 4.12) exhibit superior selectivity of Gd(III) against Zn(II) than those of TTDA (log K(Gd/Zn) = 2.93), EPTPA-bz-NO(2) (log K(Gd/Zn) = 3.19), and DTPA (log K(Gd/Zn) = 3.76). However, the stability constant values of [Gd(CB-TTDA)(H(2)O)](2-) and [Gd(Bz-CB-TTDA)(H(2)O)](2-) are lower than that of MS-325. The parameters that affect proton relaxivity have been determined in a combined variable temperature (17)O NMR and NMRD study. The water exchange rates are comparable for the two complexes, 232 × 10(6) s(-1) for [Gd(CB-TTDA)(H(2)O)](2-) and 271 × 10(6) s(-1) for [Gd(Bz-CB-TTDA)(H(2)O)](2-). They are higher than those of [Gd(TTDA)(H(2)O)](2-) (146 × 10(6) s(-1)), [Gd(DTPA)(H(2)O)](2-) (4.1 × 10(6) s(-1)), and MS-325 (6.1 × 10(6) s(-1)). Elevated stability and water exchange rate indicate that the presence of cyclobutyl on the carbon backbone imparts rigidity and steric constraint to [Gd(CB-TTDA)(H(2)O)](2-)and [Gd(Bz-CB-TTDA)(H(2)O)](2-). In addition, the major objective for selecting the cyclobutyl is to tune the lipophilicity of [Gd(Bz-CB-TTDA)(H(2)O)](2-). The binding affinity of [Gd(Bz-CB-TTDA)(H(2)O)](2-) to HSA was evaluated by ultrafiltration study across a membrane with a 30 kDa MW cutoff, and the first three stepwise binding constants were determined by fitting the data to a stoichiometric model. The binding association constants (K(A)) for [Gd(CB-TTDA)(H(2)O)](2-) and [Gd(Bz-CB-TTDA)(H(2)O)](2-) are 1.1 × 10(2) and 1.5 × 10(3), respectively. Although the K(A) value for [Gd(Bz-CB-TTDA)(H(2)O)](2-) is lower than that of MS-325 (K(A) = 3.0 × 10(4)), the r(1)(b) value, r(1)(b) = 66.7 mM(-1) s(-1) for [Gd(Bz-CB-TTDA)(H(2)O)](2-), is significantly higher than that of MS-325 (r(1)(b) = 47.0 mM(-1) s(-1)). As measured by the Zn(II) transmetalation process, the kinetic stabilities of [Gd(CB-TTDA)(H(2)O)](2-), [Gd(Bz-CB-TTDA)(H(2)O)](2-), and [Gd(DTPA)(H(2)O)](2-) are similar and are significantly higher than that of [Gd(DTPA-BMA)(H(2)O)](2-). High thermodynamic and kinetic stability and optimized lipophilicity of [Gd(CB-TTDA)(H(2)O)](2-) make it a favorable blood pool contrast agent for MRI.

A critical review of three methods used for the measurement of mercury (Hg2+)-dissolved organic matter stability constants

USGS Publications Warehouse

Gasper, J.D.; Aiken, G.R.; Ryan, J.N.

2007-01-01

Three experimental techniques - ion exchange, liquid-liquid extraction with competitive ligand exchange, and solid-phase extraction with competitive ligand exchange (CLE-SPE) - were evaluated as methods for determining conditional stability constants (K) for the binding of mercury (Hg2+) to dissolved organic matter (DOM). To determine the utility of a given method to measure stability constants at environmentally relevant experimental conditions, experimental results should meet three criteria: (1) the data must be experimentally valid, in that they were acquired under conditions that meet all the requirements of the experimental method, (2) the Hg:DOM ratio should be determined and it should fall within levels that are consistent with environmental conditions, and (3) the stability constants must fall within the detection window of the method. The ion exchange method was found to be limited by its detection window, which constrains the method to stability constants with log K values less than about 14. The liquid-liquid extraction method was found to be complicated by the ability of Hg-DOM complexes to partition into the organic phase. The CLE-SPE method was found to be the most suitable of these methods for the measurement of Hg-DOM stability constants. Stability constants for DOM isolates measured using the CLE-SPE method at environmentally relevant Hg:DOM ratios were log K = 25-30 (M-1). These values are consistent with the strong Hg2+ binding expected for reduced S-containing binding sites. ?? 2007 Elsevier Ltd. All rights reserved.

A Graphical Procedure for the Simultaneous Determination of the Distribution Constant of Iodine and the Stability Constants of Trihalide Anions.

ERIC Educational Resources Information Center

Kahwa, I. A.

1984-01-01

Discusses a graphical procedure which allows the distribution constant of iodine to be determined simultaneously with the trihalide anion stability constant. In addition, the procedure extends the experimental chemistry from distribution equilibria to important thermodynamic and bonding features. Advantages of using the procedure are also…

Tibiofemoral contact forces during walking, running and sidestepping.

PubMed

Saxby, David J; Modenese, Luca; Bryant, Adam L; Gerus, Pauline; Killen, Bryce; Fortin, Karine; Wrigley, Tim V; Bennell, Kim L; Cicuttini, Flavia M; Lloyd, David G

2016-09-01

We explored the tibiofemoral contact forces and the relative contributions of muscles and external loads to those contact forces during various gait tasks. Second, we assessed the relationships between external gait measures and contact forces. A calibrated electromyography-driven neuromusculoskeletal model estimated the tibiofemoral contact forces during walking (1.44±0.22ms(-1)), running (4.38±0.42ms(-1)) and sidestepping (3.58±0.50ms(-1)) in healthy adults (n=60, 27.3±5.4years, 1.75±0.11m, and 69.8±14.0kg). Contact forces increased from walking (∼1-2.8 BW) to running (∼3-8 BW), sidestepping had largest maximum total (8.47±1.57 BW) and lateral contact forces (4.3±1.05 BW), while running had largest maximum medial contact forces (5.1±0.95 BW). Relative muscle contributions increased across gait tasks (up to 80-90% of medial contact forces), and peaked during running for lateral contact forces (∼90%). Knee adduction moment (KAM) had weak relationships with tibiofemoral contact forces (all R(2)<0.36) and the relationships were gait task-specific. Step-wise regression of multiple external gait measures strengthened relationships (0.20

Effects of wing modification on an aircraft's aerodynamic parameters as determined from flight data

NASA Technical Reports Server (NTRS)

Hess, R. A.

1986-01-01

A study of the effects of four wing-leading-edge modifications on a general aviation aircraft's stability and control parameters is presented. Flight data from the basic aircraft configuration and configurations with wing modifications are analyzed to determine each wing geometry's stability and control parameters. The parameter estimates and aerodynamic model forms are obtained using the stepwise regression and maximum likelihood techniques. The resulting parameter estimates and aerodynamic models are verified using vortex-lattice theory and by analysis of each model's ability to predict aircraft behavior. Comparisons of the stability and control derivative estimates from the basic wing and the four leading-edge modifications are accomplished so that the effects of each modification on aircraft stability and control derivatives can be determined.

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

PubMed

Uesugi, Hanako; Shiga, Hiroshi

2017-10-01

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

Selecting predictors for discriminant analysis of species performance: an example from an amphibious softwater plant.

PubMed

Vanderhaeghe, F; Smolders, A J P; Roelofs, J G M; Hoffmann, M

2012-03-01

Selecting an appropriate variable subset in linear multivariate methods is an important methodological issue for ecologists. Interest often exists in obtaining general predictive capacity or in finding causal inferences from predictor variables. Because of a lack of solid knowledge on a studied phenomenon, scientists explore predictor variables in order to find the most meaningful (i.e. discriminating) ones. As an example, we modelled the response of the amphibious softwater plant Eleocharis multicaulis using canonical discriminant function analysis. We asked how variables can be selected through comparison of several methods: univariate Pearson chi-square screening, principal components analysis (PCA) and step-wise analysis, as well as combinations of some methods. We expected PCA to perform best. The selected methods were evaluated through fit and stability of the resulting discriminant functions and through correlations between these functions and the predictor variables. The chi-square subset, at P < 0.05, followed by a step-wise sub-selection, gave the best results. In contrast to expectations, PCA performed poorly, as so did step-wise analysis. The different chi-square subset methods all yielded ecologically meaningful variables, while probable noise variables were also selected by PCA and step-wise analysis. We advise against the simple use of PCA or step-wise discriminant analysis to obtain an ecologically meaningful variable subset; the former because it does not take into account the response variable, the latter because noise variables are likely to be selected. We suggest that univariate screening techniques are a worthwhile alternative for variable selection in ecology. © 2011 German Botanical Society and The Royal Botanical Society of the Netherlands.

Non Lyapunov stability of a constant spatially developing 2-D gas flow

NASA Astrophysics Data System (ADS)

Balint, Agneta M.; Balint, Stefan; Tanasie, Loredana

2017-01-01

Different types of stabilities (global, local) and instabilities (global absolute, local convective) of the constant spatially developing 2-D gas flow are analyzed in a particular phase space of continuously differentiable functions, endowed with the usual algebraic operations and the topology generated by the uniform convergence on the plane. For this purpose the Euler equations linearized at the constant flow are used. The Lyapunov stability analysis was presented in [1] and this paper is a continuation of [1].

Auditory Proprioceptive Integration: Effects of Real-Time Kinematic Auditory Feedback on Knee Proprioception

PubMed Central

Ghai, Shashank; Schmitz, Gerd; Hwang, Tong-Hun; Effenberg, Alfred O.

2018-01-01

The purpose of the study was to assess the influence of real-time auditory feedback on knee proprioception. Thirty healthy participants were randomly allocated to control (n = 15), and experimental group I (15). The participants performed an active knee-repositioning task using their dominant leg, with/without additional real-time auditory feedback where the frequency was mapped in a convergent manner to two different target angles (40 and 75°). Statistical analysis revealed significant enhancement in knee re-positioning accuracy for the constant and absolute error with real-time auditory feedback, within and across the groups. Besides this convergent condition, we established a second divergent condition. Here, a step-wise transposition of frequency was performed to explore whether a systematic tuning between auditory-proprioceptive repositioning exists. No significant effects were identified in this divergent auditory feedback condition. An additional experimental group II (n = 20) was further included. Here, we investigated the influence of a larger magnitude and directional change of step-wise transposition of the frequency. In a first step, results confirm the findings of experiment I. Moreover, significant effects on knee auditory-proprioception repositioning were evident when divergent auditory feedback was applied. During the step-wise transposition participants showed systematic modulation of knee movements in the opposite direction of transposition. We confirm that knee re-positioning accuracy can be enhanced with concurrent application of real-time auditory feedback and that knee re-positioning can modulated in a goal-directed manner with step-wise transposition of frequency. Clinical implications are discussed with respect to joint position sense in rehabilitation settings. PMID:29568259

Tree canopy change and neighborhood stability: A comparative analysis of Washington, D.C. and Baltimore, MD

Treesearch

Wen-Ching Chuang; Christopher G. Boone; Dexter H. Locke; J. Morgan Grove; Ali Whitmer; Geoffrey Buckley; Sainan Zhang

2017-01-01

Trees provide important health, ecosystem, and aesthetic services in urban areas, but they are unevenly distributed. Some neighborhoods have abundant tree canopy and others nearly none. We analyzed how neighborhood characteristics and changes in income over time related to the distribution of urban tree canopy in Washington, D.C. and Baltimore, MD. We used stepwise...

Multi-modular, tris(triphenylamine) zinc porphyrin-zinc phthalocyanine-fullerene conjugate as a broadband capturing, charge stabilizing, photosynthetic 'antenna-reaction center' mimic.

PubMed

Kc, Chandra B; Lim, Gary N; D'Souza, Francis

2015-04-21

A broadband capturing, charge stabilizing, photosynthetic antenna-reaction center model compound has been newly synthesized and characterized. The model compound is comprised of a zinc porphyrin covalently linked to three units of triphenylamine entities and a zinc phthalocyanine entity. The absorption and fluorescence spectra of zinc porphyrin complemented that of zinc phthalocyanine offering broadband coverage. Stepwise energy transfer from singlet excited triphenylamine to zinc porphyrin, and singlet excited zinc porphyrin to zinc phthalocyanine (kENT ∼ 10(11) s(-1)) was established from spectroscopic and time-resolved transient absorption techniques. Next, an electron acceptor, fullerene was introduced via metal-ligand axial coordination to both zinc porphyrin and zinc phthalocyanine centers, and they were characterized by spectroscopic and electrochemical techniques. An association constant of 4.9 × 10(4) M(-1) for phenylimidazole functionalized fullerene binding to zinc porphyrin, and 5.1 × 10(4) M(-1) for it binding to zinc phthalocyanine was obtained. An energy level diagram for the occurrence of different photochemical events within the multi-modular donor-acceptor conjugate was established from spectral and electrochemical data. Unlike the previous zinc porphyrin-zinc phthalocyanine-fullerene conjugates, the newly assembled donor-acceptor conjugate has been shown to undergo the much anticipated initial charge separation from singlet excited zinc porphyrin to the coordinated fullerene followed by a hole shift process to zinc phthalocyanine resulting in a long-lived charge separated state as revealed by femto- and nanosecond transient absorption spectroscopic techniques. The lifetime of the final charge separated state was about 100 ns.

Development of side-chain NLO polymer materials with high electro-optic activity and long-term stability

NASA Astrophysics Data System (ADS)

Huang, Diyun; Parker, Timothy; Guan, Hann Wen; Cong, Shuxin; Jin, Danliang; Dinu, Raluca; Chen, Baoquan; Tolstedt, Don; Wolf, Nick; Condon, Stephen

2005-01-01

The electro-optic coefficient and long-term dipole alignment stability are two major factors in the development of high performance NLO materials for the application of high-speed EO devices. We have developed a high performance non-linear organic chromophore and incorporated it into a crosslinkable side-chain polyimide system. The polymer was synthesized through stepwise grafting of the crosslinker followed by the chromophore onto the polyimide backbone via esterification. Different chromophore loading levels were achieved by adjusting the crosslinker/chromophore feeding ratio. The polyimides films were contact-poled with second-harmonic generation monitoring. A large EO coefficient value was obtained and good long-term thermal stability at 85°C was observed.

Non Lyapunov stability of the constant spatially developing 1-D gas flow in presence of solutions having strictly positive exponential growth rate

NASA Astrophysics Data System (ADS)

Balint, Stefan; Balint, Agneta M.

2017-01-01

Different types of stabilities (global, local) and instabilities (global absolute, local convective) of the constant spatially developing 1-D gas flow are analyzed in the phase space of continuously differentiable functions, endowed with the usual algebraic operations and the topology generated by the uniform convergence on the real axis. For this purpose the Euler equations linearized at the constant flow are used. The Lyapunov stability analysis was presented in [1] and this paper is a continuation of [1].

Evolutionary stability concepts in a stochastic environment

NASA Astrophysics Data System (ADS)

Zheng, Xiu-Deng; Li, Cong; Lessard, Sabin; Tao, Yi

2017-09-01

Over the past 30 years, evolutionary game theory and the concept of an evolutionarily stable strategy have been not only extensively developed and successfully applied to explain the evolution of animal behaviors, but also widely used in economics and social sciences. Nonetheless, the stochastic dynamical properties of evolutionary games in randomly fluctuating environments are still unclear. In this study, we investigate conditions for stochastic local stability of fixation states and constant interior equilibria in a two-phenotype model with random payoffs following pairwise interactions. Based on this model, we develop the concepts of stochastic evolutionary stability (SES) and stochastic convergence stability (SCS). We show that the condition for a pure strategy to be SES and SCS is more stringent than in a constant environment, while the condition for a constant mixed strategy to be SES is less stringent than the condition to be SCS, which is less stringent than the condition in a constant environment.

Stepwise Adaptations to Low Temperature as Revealed by Multiple Mutants of Psychrophilic α-Amylase from Antarctic Bacterium*

PubMed Central

Cipolla, Alexandre; D'Amico, Salvino; Barumandzadeh, Roya; Matagne, André; Feller, Georges

2011-01-01

The mutants Mut5 and Mut5CC from a psychrophilic α-amylase bear representative stabilizing interactions found in the heat-stable porcine pancreatic α-amylase but lacking in the cold-active enzyme from an Antarctic bacterium. From an evolutionary perspective, these mutants can be regarded as structural intermediates between the psychrophilic and the mesophilic enzymes. We found that these engineered interactions improve all the investigated parameters related to protein stability as follows: compactness; kinetically driven stability; thermodynamic stability; resistance toward chemical denaturation, and the kinetics of unfolding/refolding. Concomitantly to this improved stability, both mutants have lost the kinetic optimization to low temperature activity displayed by the parent psychrophilic enzyme. These results provide strong experimental support to the hypothesis assuming that the disappearance of stabilizing interactions in psychrophilic enzymes increases the amplitude of concerted motions required by catalysis and the dynamics of active site residues at low temperature, leading to a higher activity. PMID:21900238

Enhanced Stability of the Fe(II)/Mn(II) State in a Synthetic Model of Heterobimetallic Cofactor Assembly.

PubMed

Kerber, William D; Goheen, Joshua T; Perez, Kaitlyn A; Siegler, Maxime A

2016-01-19

Heterobimetallic Mn/Fe cofactors are found in the R2 subunit of class Ic ribonucleotide reductases (R2c) and R2-like ligand binding oxidases (R2lox). Selective cofactor assembly is due at least in part to the thermodynamics of M(II) binding to the apoprotein. We report here equilibrium studies of Fe(II)/Mn(II) discrimination in the biomimetic model system H5(F-HXTA) (5-fluoro-2-hydroxy-1,3-xylene-α,α'-diamine-N,N,N',N'-tetraacetic acid). The homobimetallic F-HXTA complexes [Fe(H2O)6][1]2·14H2O and [Mn(H2O)6][2]2·14H2O (1 = [Fe(II)2(F-HXTA)(H2O)4](-); 2 = [Mn(II)2(F-HXTA)(H2O)4](-)) were characterized by single crystal X-ray diffraction. NMR data show that 1 retains its structure in solution (2 is NMR silent). Metal exchange is facile, and the heterobimetallic complex [Fe(II)Mn(II)(F-HXTA)(H2O)4](-) (3) is formed from mixtures of 1 and 2. (19)F NMR was used to quantify 1 and 3 in the presence of excess M(II)(aq) at various metal ratios, and equilibrium constants for Fe(II)/Mn(II) discrimination were calculated from these data. Fe(II) is preferred over Mn(II) with K1 = 182 ± 13 for complete replacement (2 ⇌ 1). This relatively modest preference is attributed to a hard-soft acid-base mismatch between the divalent cations and the polycarboxylate ligand. The stepwise constants for replacement are K2 = 20.1 ± 1.3 (2 ⇌ 3) and K3 = 9.1 ± 1.1 (3 ⇌ 1). K2 > K3 demonstrates enhanced stability of the heterobimetallic state beyond what is expected for simple Mn(II) → Fe(II) replacement. The relevance to Fe(II)/Mn(II) discrimination in R2c and R2lox proteins is discussed.

Backstepping-based boundary control design for a fractional reaction diffusion system with a space-dependent diffusion coefficient.

PubMed

Chen, Juan; Cui, Baotong; Chen, YangQuan

2018-06-11

This paper presents a boundary feedback control design for a fractional reaction diffusion (FRD) system with a space-dependent (non-constant) diffusion coefficient via the backstepping method. The contribution of this paper is to generalize the results of backstepping-based boundary feedback control for a FRD system with a space-independent (constant) diffusion coefficient to the case of space-dependent diffusivity. For the boundary stabilization problem of this case, a designed integral transformation treats it as a problem of solving a hyperbolic partial differential equation (PDE) of transformation's kernel, then the well posedness of the kernel PDE is solved for the plant with non-constant diffusivity. Furthermore, by the fractional Lyapunov stability (Mittag-Leffler stability) theory and the backstepping-based boundary feedback controller, the Mittag-Leffler stability of the closed-loop FRD system with non-constant diffusivity is proved. Finally, an extensive numerical example for this closed-loop FRD system with non-constant diffusivity is presented to verify the effectiveness of our proposed controller. Copyright © 2018 ISA. Published by Elsevier Ltd. All rights reserved.

In Situ Protein Binding Assay Using Fc-Fusion Proteins.

PubMed

Padmanabhan, Nirmala; Siddiqui, Tabrez J

2017-01-01

This protocol describes an in situ protein-protein interaction assay between tagged recombinant proteins and cell-surface expressed synaptic proteins. The assay is arguably more sensitive than other traditional protein binding assays such as co-immunoprecipitation and pull-downs and provides a visual readout for binding. This assay has been widely used to determine the dissociation constant of binding of trans-synaptic adhesion proteins. The step-wise description in the protocol should facilitate the adoption of this method in other laboratories.

Direct observation of the myosin Va recovery stroke that contributes to unidirectional stepping along actin.

PubMed

Shiroguchi, Katsuyuki; Chin, Harvey F; Hannemann, Diane E; Muneyuki, Eiro; De La Cruz, Enrique M; Kinosita, Kazuhiko

2011-04-01

Myosins are ATP-driven linear molecular motors that work as cellular force generators, transporters, and force sensors. These functions are driven by large-scale nucleotide-dependent conformational changes, termed "strokes"; the "power stroke" is the force-generating swinging of the myosin light chain-binding "neck" domain relative to the motor domain "head" while bound to actin; the "recovery stroke" is the necessary initial motion that primes, or "cocks," myosin while detached from actin. Myosin Va is a processive dimer that steps unidirectionally along actin following a "hand over hand" mechanism in which the trailing head detaches and steps forward ∼72 nm. Despite large rotational Brownian motion of the detached head about a free joint adjoining the two necks, unidirectional stepping is achieved, in part by the power stroke of the attached head that moves the joint forward. However, the power stroke alone cannot fully account for preferential forward site binding since the orientation and angle stability of the detached head, which is determined by the properties of the recovery stroke, dictate actin binding site accessibility. Here, we directly observe the recovery stroke dynamics and fluctuations of myosin Va using a novel, transient caged ATP-controlling system that maintains constant ATP levels through stepwise UV-pulse sequences of varying intensity. We immobilized the neck of monomeric myosin Va on a surface and observed real time motions of bead(s) attached site-specifically to the head. ATP induces a transient swing of the neck to the post-recovery stroke conformation, where it remains for ∼40 s, until ATP hydrolysis products are released. Angle distributions indicate that the post-recovery stroke conformation is stabilized by ≥ 5 k(B)T of energy. The high kinetic and energetic stability of the post-recovery stroke conformation favors preferential binding of the detached head to a forward site 72 nm away. Thus, the recovery stroke contributes to unidirectional stepping of myosin Va.

Disequilibrium dihedral angles in layered intrusions: the microstructural record of fractionation

NASA Astrophysics Data System (ADS)

Holness, Marian; Namur, Olivier; Cawthorn, Grant

2013-04-01

The dihedral angle formed at junctions between two plagioclase grains and a grain of augite is only rarely in textural equilibrium in gabbros from km-scale crustal layered intrusions. The median of a population of these disequilibrium angles, Θcpp, varies systematically within individual layered intrusions, remaining constant over large stretches of stratigraphy with significant increases or decreases associated with the addition or reduction respectively of the number of phases on the liquidus of the bulk magma. The step-wise changes in Θcpp are present in Upper Zone of the Bushveld Complex, the Megacyclic Unit I of the Sept Iles Intrusion, and the Layered Series of the Skaergaard Intrusion. The plagioclase-bearing cumulates of Rum have a bimodal distribution of Θcpp, dependent on whether the cumulus assemblage includes clinopyroxene. The presence of the step-wise changes is independent of the order of arrival of cumulus phases and of the composition of either the cumulus phases or the interstitial liquid inferred to be present in the crystal mush. Step-wise changes in the rate of change in enthalpy with temperature (ΔH) of the cooling and crystallizing magma correspond to the observed variation of Θcpp, with increases of both ΔH and Θcpp associated with the addition of another liquidus phase, and decreases of both associated with the removal of a liquidus phase. The replacement of one phase by another (e.g. olivine ⇔ orthpyroxene) has little effect on ΔH and no discernible effect on Θcpp. An increase of ΔH is manifest by an increase in the fraction of the total enthalpy budget that is the latent heat of crystallization (the fractional latent heat). It also results in an increase in the amount crystallized in each incremental temperature drop (the crystal productivity). An increased fractional latent heat and crystal productivity result in an increased rate of plagioclase growth compared to that of augite during the final stages of solidification, causing a step-wise increase in Θcpp. Step-wise changes in the geometry of three-grain junctions in fully solidified gabbros thus provide a clear microstructural marker for the progress of fractionation.

Bootstrap investigation of the stability of a Cox regression model.

PubMed

Altman, D G; Andersen, P K

1989-07-01

We describe a bootstrap investigation of the stability of a Cox proportional hazards regression model resulting from the analysis of a clinical trial of azathioprine versus placebo in patients with primary biliary cirrhosis. We have considered stability to refer both to the choice of variables included in the model and, more importantly, to the predictive ability of the model. In stepwise Cox regression analyses of 100 bootstrap samples using 17 candidate variables, the most frequently selected variables were those selected in the original analysis, and no other important variable was identified. Thus there was no reason to doubt the model obtained in the original analysis. For each patient in the trial, bootstrap confidence intervals were constructed for the estimated probability of surviving two years. It is shown graphically that these intervals are markedly wider than those obtained from the original model.

Effects of Condensation on Peri-implant Bone Density and Remodeling

PubMed Central

Wang, L.; Wu, Y.; Perez, K.C.; Hyman, S.; Brunski, J.B.; Tulu, U.; Bao, C.; Salmon, B.; Helms, J.A.

2017-01-01

Bone condensation is thought to densify interfacial bone and thus improve implant primary stability, but scant data substantiate either claim. We developed a murine oral implant model to test these hypotheses. Osteotomies were created in healed maxillary extraction sites 1) by drilling or 2) by drilling followed by stepwise condensation with tapered osteotomes. Condensation increased interfacial bone density, as measured by a significant change in bone volume/total volume and trabecular spacing, but it simultaneously damaged the bone. On postimplant day 1, the condensed bone interface exhibited microfractures and osteoclast activity. Finite element modeling, mechanical testing, and immunohistochemical analyses at multiple time points throughout the osseointegration period demonstrated that condensation caused very high interfacial strains, marginal bone resorption, and no improvement in implant stability. Collectively, these multiscale analyses demonstrate that condensation does not positively contribute to implant stability. PMID:28048963

Effects of Condensation on Peri-implant Bone Density and Remodeling.

PubMed

Wang, L; Wu, Y; Perez, K C; Hyman, S; Brunski, J B; Tulu, U; Bao, C; Salmon, B; Helms, J A

2017-04-01

Bone condensation is thought to densify interfacial bone and thus improve implant primary stability, but scant data substantiate either claim. We developed a murine oral implant model to test these hypotheses. Osteotomies were created in healed maxillary extraction sites 1) by drilling or 2) by drilling followed by stepwise condensation with tapered osteotomes. Condensation increased interfacial bone density, as measured by a significant change in bone volume/total volume and trabecular spacing, but it simultaneously damaged the bone. On postimplant day 1, the condensed bone interface exhibited microfractures and osteoclast activity. Finite element modeling, mechanical testing, and immunohistochemical analyses at multiple time points throughout the osseointegration period demonstrated that condensation caused very high interfacial strains, marginal bone resorption, and no improvement in implant stability. Collectively, these multiscale analyses demonstrate that condensation does not positively contribute to implant stability.

Some theoretical considerations of longitudinal stability in power-on flight with special reference to wind-tunnel testing, November 1942

NASA Technical Reports Server (NTRS)

Donlan, C. J.

1976-01-01

Some problems relating to longitudinal stability in power-on flight are considered. A derivation is included which shows that, under certain conditions, the rate of change of the pitching moment coefficient with lift coefficient as obtained in wind tunnel tests simulating constant power operation is directly proportional to one of the indices of stability commonly associated with flight analysis, (the slope of the curve relating the elevator angle for trim and lift coefficient). The necessity of analyzing power-on wind tunnel data for trim conditions is emphasized, and a method is provided for converting data obtained from constant thrust tests to simulated constant throttle flight conditions.

A continuous damage model based on stepwise-stress creep rupture tests

NASA Technical Reports Server (NTRS)

Robinson, D. N.

1985-01-01

A creep damage accumulation model is presented that makes use of the Kachanov damage rate concept with a provision accounting for damage that results from a variable stress history. This is accomplished through the introduction of an additional term in the Kachanov rate equation that is linear in the stress rate. Specification of the material functions and parameters in the model requires two types of constituting a data base: (1) standard constant-stress creep rupture tests, and (2) a sequence of two-step creep rupture tests.

Simultaneous optimization method for absorption spectroscopy postprocessing.

PubMed

Simms, Jean M; An, Xinliang; Brittelle, Mack S; Ramesh, Varun; Ghandhi, Jaal B; Sanders, Scott T

2015-05-10

A simultaneous optimization method is proposed for absorption spectroscopy postprocessing. This method is particularly useful for thermometry measurements based on congested spectra, as commonly encountered in combustion applications of H2O absorption spectroscopy. A comparison test demonstrated that the simultaneous optimization method had greater accuracy, greater precision, and was more user-independent than the common step-wise postprocessing method previously used by the authors. The simultaneous optimization method was also used to process experimental data from an environmental chamber and a constant volume combustion chamber, producing results with errors on the order of only 1%.

Steady-State Computation of Constant Rotational Rate Dynamic Stability Derivatives

NASA Technical Reports Server (NTRS)

Park, Michael A.; Green, Lawrence L.

2000-01-01

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

Annealed importance sampling with constant cooling rate

NASA Astrophysics Data System (ADS)

Giovannelli, Edoardo; Cardini, Gianni; Gellini, Cristina; Pietraperzia, Giangaetano; Chelli, Riccardo

2015-02-01

Annealed importance sampling is a simulation method devised by Neal [Stat. Comput. 11, 125 (2001)] to assign weights to configurations generated by simulated annealing trajectories. In particular, the equilibrium average of a generic physical quantity can be computed by a weighted average exploiting weights and estimates of this quantity associated to the final configurations of the annealed trajectories. Here, we review annealed importance sampling from the perspective of nonequilibrium path-ensemble averages [G. E. Crooks, Phys. Rev. E 61, 2361 (2000)]. The equivalence of Neal's and Crooks' treatments highlights the generality of the method, which goes beyond the mere thermal-based protocols. Furthermore, we show that a temperature schedule based on a constant cooling rate outperforms stepwise cooling schedules and that, for a given elapsed computer time, performances of annealed importance sampling are, in general, improved by increasing the number of intermediate temperatures.

Nonlinear multidimensional cosmological models with form fields: Stabilization of extra dimensions and the cosmological constant problem

NASA Astrophysics Data System (ADS)

Günther, U.; Moniz, P.; Zhuk, A.

2003-08-01

We consider multidimensional gravitational models with a nonlinear scalar curvature term and form fields in the action functional. In our scenario it is assumed that the higher dimensional spacetime undergoes a spontaneous compactification to a warped product manifold. Particular attention is paid to models with quadratic scalar curvature terms and a Freund-Rubin-like ansatz for solitonic form fields. It is shown that for certain parameter ranges the extra dimensions are stabilized. In particular, stabilization is possible for any sign of the internal space curvature, the bulk cosmological constant, and of the effective four-dimensional cosmological constant. Moreover, the effective cosmological constant can satisfy the observable limit on the dark energy density. Finally, we discuss the restrictions on the parameters of the considered nonlinear models and how they follow from the connection between the D-dimensional and the four-dimensional fundamental mass scales.

Influence of Analyte Concentration on Stability Constant Values Determined by Capillary Electrophoresis.

PubMed

Sursyakova, Viktoria V; Burmakina, Galina V; Rubaylo, Anatoly I

2016-08-01

The influence of analyte concentration when compared with the concentration of a charged ligand in background electrolyte (BGE) on the measured values of electrophoretic mobilities and stability constants (association, binding or formation constants) is studied using capillary electrophoresis (CE) and a dynamic mathematical simulator of CE. The study is performed using labile complexes (with fast kinetics) of iron (III) and 5-sulfosalicylate ions (ISC) as an example. It is shown that because the ligand concentration in the analyte zone is not equal to that in BGE, considerable changes in the migration times and electrophoretic mobilities are observed, resulting in systematic errors in the stability constant values. Of crucial significance is the slope of the dependence of the electrophoretic mobility decrease on the ligand equilibrium concentration. Without prior information on this dependence to accurately evaluate the stability constants for similar systems, the total ligand concentration must be at least >50-100 times higher than the total concentration of analyte. Experimental ISC peak fronting and the difference between the direction of the experimental pH dependence of the electrophoretic mobility decrease and the mathematical simulation allow assuming the presence of capillary wall interaction. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Metal adsorption onto bacterial surfaces: development of a predictive approach

NASA Astrophysics Data System (ADS)

Fein, Jeremy B.; Martin, Aaron M.; Wightman, Peter G.

2001-12-01

Aqueous metal cation adsorption onto bacterial surfaces can be successfully modeled by means of a surface complexation approach. However, relatively few stability constants for metal-bacterial surface complexes have been measured. In order to determine the bacterial adsorption behavior of cations that have not been studied in the laboratory, predictive techniques are required that enable estimation of the stability constants of bacterial surface complexes. In this study, we use a linear free-energy approach to compare previously measured stability constants for Bacillus subtilis metal-carboxyl surface complexes with aqueous metal-organic acid anion stability constants. The organic acids that we consider are acetic, oxalic, citric, and tiron. We add to this limited data set by conducting metal adsorption experiments onto Bacillus subtilis, determining bacterial surface stability constants for Co, Nd, Ni, Sr, and Zn. The adsorption behavior of each of the metals studied here was described well by considering metal-carboxyl bacterial surface complexation only, except for the Zn adsorption behavior, which required carboxyl and phosphoryl complexation to obtain a suitable fit to the data. The best correlation between bacterial carboxyl surface complexes and aqueous organic acid anion stability constants was obtained by means of metal-acetate aqueous complexes, with a linear correlation coefficient of 0.97. This correlation applies only to unhydrolyzed aqueous cations and only to carboxyl binding of those cations, and it does not predict the binding behavior under conditions where metal binding to other bacterial surface site types occurs. However, the relationship derived in this study permits estimation of the carboxyl site adsorption behavior of a wide range of aqueous metal cations for which there is an absence of experimental data. This technique, coupled with the observation of similar adsorption behaviors across bacterial species (Yee and Fein, 2001), enables estimation of the effects of bacterial adsorption on metal mobilities for a large number of environmental and geologic applications.

Scandium(III) complexes of monophosphorus acid DOTA analogues: a thermodynamic and radiolabelling study with (44)Sc from cyclotron and from a (44)Ti/(44)Sc generator.

PubMed

Kerdjoudj, R; Pniok, M; Alliot, C; Kubíček, V; Havlíčková, J; Rösch, F; Hermann, P; Huclier-Markai, S

2016-01-28

The complexation ability of DOTA analogs bearing one methylenephosphonic (DO3AP) or methylenephosphinic (DO3AP(PrA) and DO3AP(ABn)) acid pendant arm toward scandium was evaluated. Stability constants of their scandium(iii) complexes were determined by potentiometry combined with (45)Sc NMR spectroscopy. The stability constants of the monophosphinate analogues are somewhat lower than that of the Sc-DOTA complex. The phosphorus acid moiety interacts with trivalent scandium even in very acidic solutions forming out-of-cage complexes; the strong affinity of the phosphonate group to Sc(iii) precludes stability constant determination of the Sc-DO3AP complex. These results were compared with those obtained by the free-ion selective radiotracer extraction (FISRE) method which is suitable for trace concentrations. FISRE underestimated the stability constants but their relative order was preserved. Nonetheless, as this method is experimentally simple, it is suitable for a quick relative comparison of stability constant values under trace concentrations. Radiolabelling of the ligands with (44)Sc was performed using the radioisotope from two sources, a (44)Ti/(44)Sc generator and (44m)Sc/(44)Sc from a cyclotron. The best radiolabelling conditions for the ligands were pH = 4, 70 °C and 20 min which were, however, not superior to those of the parent DOTA. Nonetheless, in vitro behaviour of the Sc(iii) complexes in the presence of hydroxyapatite and rat serum showed sufficient stability of (44)Sc complexes of these ligands for in vivo applications. PET images and ex vivo biodistribution of the (44)Sc-DO3AP complex performed on healthy Wistar male rats showed no specific bone uptake and rapid clearance through urine.

Steady-state wear and friction in boundary lubrication studies

NASA Technical Reports Server (NTRS)

Loomis, W. R.; Jones, W. R., Jr.

1980-01-01

A friction and wear study was made at 20 C to obtain improved reproducibility and reliability in boundary lubrication testing. Ester-base and C-ether-base fluids were used to lubricate a pure iron rider in sliding contact with a rotating M-50 steel disk in a friction and wear apparatus. Conditions included loads of 1/2 and 1 kg and sliding velocities of 3.6 to 18.2 m/min in a dry air atmosphere and stepwise time intervals from 1 to 250 min for wear measurements. The wear rate results were compared with those from previous studies where a single 25 min test period was used. Satisfactory test conditions for studying friction and wear in boundary lubrication for this apparatus were found to be 1 kg load; sliding velocities of 7.1 to 9.1 m/min (50 rpm disk speed); and use of a time stepwise test procedure. Highly reproducible steady-state wear rates and steady-state friction coefficients were determined under boundary conditions. Wear rates and coefficients of friction were constant following initially high values during run-in periods.

Dihedral Angles As A Diagnostic Tool For Interpreting The Cooling History Of Mafic Rocks

NASA Astrophysics Data System (ADS)

Holness, M. B.

2016-12-01

The geometry of three-grain junctions in mafic rocks, particularly those involving two grains of plagioclase, overwhelmingly results from processes occurring during solidification. Sub-solidus textural modification is only significant for fine-grained rocks that have remained hot for a considerable time (e.g. chill zones). The underlying control on the geometry of junctions involving plagioclase is the response of the different plagioclase growth faces to changes in cooling rate. This is demonstrated by the systematic co-variation of plagioclase grain shape and the median value of the pyroxene-plag-plag dihedral angle across (unfractionated) mafic sills. In mafic layered intrusions the median dihedral angle is constant across large stretches of stratigraphy, changing in a step-wise manner as the number of liquidus phases changes in the bulk magma. In the Skaergaard layered intrusion, the shape of cumulus plagioclase grains changes smoothly through the stratigraphy, consistent with continuously decreasing cooling rates in a well-mixed chamber: there is no correlation between overall plagioclase grain shape and dihedral angle. However, three-grain junctions are formed during the last stages of crystallization and therefore record events at the base of the crystal mushy layer. While the overall shape of plagioclase grains is dominated by growth at the magma-mush interface or in the bulk magma, it is the post-accumulation overgrowth that creates the dihedral angle: the shape of this overgrowth changes in a step-wise fashion, matching the step-wise variation in dihedral angle. Dihedral angles in layered intrusions can be used to place constraints on the thickness of the mushy layer, using the stratigraphic offset between the step-wise change in dihedral angle and the first appearance/disappearance of the associated liquidus phase. Dihedral angles also have the potential to constrain intrusion size for fragments of cumulate rocks entrained in volcanic ejecta.

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation.

PubMed

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W; Harding, Lawrence B; Hase, William L; Klippenstein, Stephen J

2018-05-07

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C 2 H 4 O 3 , the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H 2 COO) and formaldehyde (H 2 CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (∼30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

Nascent energy distribution of the Criegee intermediate CH2OO from direct dynamics calculations of primary ozonide dissociation

NASA Astrophysics Data System (ADS)

Pfeifle, Mark; Ma, Yong-Tao; Jasper, Ahren W.; Harding, Lawrence B.; Hase, William L.; Klippenstein, Stephen J.

2018-05-01

Ozonolysis produces chemically activated carbonyl oxides (Criegee intermediates, CIs) that are either stabilized or decompose directly. This branching has an important impact on atmospheric chemistry. Prior theoretical studies have employed statistical models for energy partitioning to the CI arising from dissociation of the initially formed primary ozonide (POZ). Here, we used direct dynamics simulations to explore this partitioning for decomposition of c-C2H4O3, the POZ in ethylene ozonolysis. A priori estimates for the overall stabilization probability were then obtained by coupling the direct dynamics results with master equation simulations. Trajectories were initiated at the concerted cycloreversion transition state, as well as the second transition state of a stepwise dissociation pathway, both leading to a CI (H2COO) and formaldehyde (H2CO). The resulting CI energy distributions were incorporated in master equation simulations of CI decomposition to obtain channel-specific stabilized CI (sCI) yields. Master equation simulations of POZ formation and decomposition, based on new high-level electronic structure calculations, were used to predict yields for the different POZ decomposition channels. A non-negligible contribution of stepwise POZ dissociation was found, and new mechanistic aspects of this pathway were elucidated. By combining the trajectory-based channel-specific sCI yields with the channel branching fractions, an overall sCI yield of (48 ± 5)% was obtained. Non-statistical energy release was shown to measurably affect sCI formation, with statistical models predicting significantly lower overall sCI yields (˜30%). Within the range of experimental literature values (35%-54%), our trajectory-based calculations favor those clustered at the upper end of the spectrum.

FT-IR study and solvent-implicit and explicit effect on stepwise tautomerism of Guanylurea: M06-2X as a case of study

NASA Astrophysics Data System (ADS)

Karimzadeh, Morteza; Manouchehri, Neda; Saberi, Dariush; Niknam, Khodabakhsh

2018-06-01

All 66 conformers of guanylurea were optimized and frequency calculations were performed at M06-2X/6-311++G(d,p) level of theory. Theses conformers were categorized into five tautomers, and the most stable conformer of each tautomer were found. Geometrical parameters indicated that these tautomers have almost planar structure. Complete stepwise tautomerism were studied through both intramolecular proton transfer routs and internal rotations. Results indicated that the proton transfer routs involving four-membered heterocyclic structures were rate-determining steps. Also, intramolecular proton movement having six-membered transition state structures had very low energy barrier comparable to the transition states of internal rotation routs. Differentiation of studied tautomers could easily be done through their FT-IR spectra in the range of 3200 to 3900 cm-1 by comparing absorption bands and intensity of peaks. Solvent-implicit effects on the stability of tautomers were also studied through re-optimization and frequency calculation in four solvents. Water, DMSO, acetone and toluene had stabilization effect on all considered tautomers, but the order of stabilization effect was as follows: water > DMSO > acetone > toluene. Finally, solvent-explicit, base-explicit and acid-explicit effect were also studied by taking place of studied tautomer nearside of acid, base or solvent and optimization of them. Frequency calculation for proton movement by contribution of explicit effect showed that formic acid had a very strong effect on proton transfer from tautomer A1 to tautomer D8 by lowering the energy barrier from 42.57 to 0.8 kcal/mol. In addition, ammonia-explicit effect was found to lower the barrier from 42.57 to 22.46 kcal/mol, but this effect is lower than that of water and methanol-explicit effect.

New singlet oxygen donors based on naphthalenes: synthesis, physical chemical data, and improved stability.

PubMed

Klaper, Matthias; Linker, Torsten

2015-06-01

Singlet oxygen donors are of current interest for medical applications, but suffer from a short half-life leading to low singlet oxygen yields and problems with storage. We have synthesized more than 25 new singlet oxygen donors based on differently substituted naphthalenes in only a few steps. The influence of functional groups on the reaction rate of the photooxygenations, thermolysis, half-life, and singlet oxygen yield has been thoroughly studied. We determined various thermodynamic data and compared them with density functional calculations. Interestingly, remarkable stabilities of functional groups during the photooxygenations and stabilizing effects for some endoperoxides during the thermolysis have been found. Furthermore, we give evidence for a partly concerted and partly stepwise thermolysis mechanism leading to singlet and triplet oxygen, respectively. Our results might be interesting for "dark oxygenations" and future applications in medicine. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stabilization of the Simplest Criegee Intermediate from the Reaction between Ozone and Ethylene: A High-Level Quantum Chemical and Kinetic Analysis of Ozonolysis.

PubMed

Nguyen, Thanh Lam; Lee, Hyunwoo; Matthews, Devin A; McCarthy, Michael C; Stanton, John F

2015-06-04

The fraction of the collisionally stabilized Criegee species CH2OO produced from the ozonolysis of ethylene is calculated using a two-dimensional (E, J)-grained master equation technique and semiclassical transition-state theory based on the potential energy surface obtained from high-accuracy quantum chemical calculations. Our calculated yield of 42 ± 6% for the stabilized CH2OO agrees well, within experimental error, with available (indirect) experimental results. Inclusion of angular momentum in the master equation is found to play an essential role in bringing the theoretical results into agreement with the experiment. Additionally, yields of HO and HO2 radical products are predicted to be 13 ± 6% and 17 ± 6%, respectively. In the kinetic simulation, the HO radical product is produced mostly from the stepwise decomposition mechanism of primary ozonide rather than from dissociation of hot CH2OO.

Density controls the kinetic stability of ultrastable glasses

NASA Astrophysics Data System (ADS)

Fullerton, Christopher J.; Berthier, Ludovic

2017-08-01

We use a swap Monte Carlo algorithm to numerically prepare bulk glasses with kinetic stability comparable to that of glass films produced experimentally by physical vapor deposition. By melting these systems into the liquid state, we show that some of our glasses retain their amorphous structures longer than 105 times the equilibrium structural relaxation time. This “exceptional” kinetic stability cannot be achieved for bulk glasses produced by slow cooling. We perform simulations at both constant volume and constant pressure to demonstrate that the density mismatch between the ultrastable glass and the equilibrium liquid accounts for a major part of the observed kinetic stability.

Stability and bifurcation analysis of a generalized scalar delay differential equation.

PubMed

Bhalekar, Sachin

2016-08-01

This paper deals with the stability and bifurcation analysis of a general form of equation D(α)x(t)=g(x(t),x(t-τ)) involving the derivative of order α ∈ (0, 1] and a constant delay τ ≥ 0. The stability of equilibrium points is presented in terms of the stability regions and critical surfaces. We provide a necessary condition to exist chaos in the system also. A wide range of delay differential equations involving a constant delay can be analyzed using the results proposed in this paper. The illustrative examples are provided to explain the theory.

Flap-Lag-Torsion Stability in Forward Flight

NASA Technical Reports Server (NTRS)

Panda, B.; Chopra, I.

1985-01-01

An aeroelastic stability of three-degree flap-lag-torsion blade in forward flight is examined. Quasisteady aerodynamics with a dynamic inflow model is used. The nonlinear time dependent periodic blade response is calculated using an iterative procedure based on Floquet theory. The periodic perturbation equations are solved for stability using Floquet transition matrix theory as well as constant coefficient approximation in the fixed reference frame. Results are presented for both stiff-inplane and soft-inplane blade configurations. The effects of several parameters on blade stability are examined, including structural coupling, pitch-flap and pitch-lag coupling, torsion stiffness, steady inflow distribution, dynamic inflow, blade response solution and constant coefficient approximation.

Solvent effect on the intermolecular proton transfer of the Watson and Crick guanine-cytosine and adenine-thymine base pairs: a polarizable continuum model study.

PubMed

Romero, Eduardo E; Hernandez, Florencio E

2018-01-03

Herein we present our results on the study of the double proton transfer (DPT) mechanism in the adenine-thymine (AT) and guanine-cytosine (GC) base pairs, both in gas phase and in solution. The latter was modeled using the polarizable continuum method (PCM) in different solvents. According to our DFT calculations, the DPT may occur for both complexes in a stepwise mechanism in condensate phase. In gas phase only the GC base pair exhibits a concerted DPT mechanism. Using the Wigner's tunneling corrections to the transition state theory we demonstrate that such corrections are important for the prediction of the rate constants of both systems in gas and in condensate phase. We also show that (i) as the polarity of the medium decreases the equilibrium constant of the DPT reaction increases in both complexes, and (ii) that the equilibrium constant in the GC complex is four orders of magnitude larger than in AT. This observation suggests that the spontaneous mutations in DNA base pairs are more probable in GC than in AT.

Multicomponent Droplet Evaporation on Chemical Micro-Patterned Surfaces

PubMed Central

He, Minghao; Liao, Dong; Qiu, Huihe

2017-01-01

The evaporation and dynamics of a multicomponent droplet on a heated chemical patterned surface were presented. Comparing to the evaporation process of a multicomponent droplet on a homogenous surface, it is found that the chemical patterned surface can not only enhance evaporation by elongating the contact line, but also change the evaporation process from three regimes for the homogenous surface including constant contact line (CCL) regime, constant contact angle (CCA) regime and mix mode (MM) to two regimes, i.e. constant contact line (CCL) and moving contact line (MCL) regimes. The mechanism of contact line stepwise movement in MCL regimes in the microscopic range is investigated in detail. In addition, an improved local force model on the contact line was employed for analyzing the critical receding contact angles on homogenous and patterned surfaces. The analysis results agree well for both surfaces, and confirm that the transition from CCL to MCL regimes indicated droplet composition changes from multicomponent to monocomponent, providing an important metric to predict and control the dynamic behavior and composition of a multicomponent droplet using a patterned surface. PMID:28157229

Spontaneous membrane formation and self-encapsulation of active rods in an inhomogeneous motility field

NASA Astrophysics Data System (ADS)

Grauer, Jens; Löwen, Hartmut; Janssen, Liesbeth M. C.

2018-02-01

We study the collective dynamics of self-propelled rods in an inhomogeneous motility field. At the interface between two regions of constant but different motility, a smectic rod layer is spontaneously created through aligning interactions between the active rods, reminiscent of an artificial, semipermeable membrane. This "active membrane" engulfes rods which are locally trapped in low-motility regions and thereby further enhances the trapping efficiency by self-organization, an effect which we call "self-encapsulation." Our results are gained by computer simulations of self-propelled rod models confined on a two-dimensional planar or spherical surface with a stepwise constant motility field, but the phenomenon should be observable in any geometry with sufficiently large spatial inhomogeneity. We also discuss possibilities to verify our predictions of active-membrane formation in experiments of self-propelled colloidal rods and vibrated granular matter.

Dispersion-free radial transmission lines

DOEpatents

Caporaso, George J [Livermore, CA; Nelson, Scott D [Patterson, CA

2011-04-12

A dispersion-free radial transmission line ("DFRTL") preferably for linear accelerators, having two plane conductors each with a central hole, and an electromagnetically permeable material ("EPM") between the two conductors and surrounding a channel connecting the two holes. At least one of the material parameters of relative magnetic permeability, relative dielectric permittivity, and axial width of the EPM is varied as a function of radius, so that the characteristic impedance of the DFRTL is held substantially constant, and pulse transmission therethrough is substantially dispersion-free. Preferably, the EPM is divided into concentric radial sections, with the varied material parameters held constant in each respective section but stepwise varied between sections as a step function of the radius. The radial widths of the concentric sections are selected so that pulse traversal time across each section is the same, and the varied material parameters of the concentric sections are selected to minimize traversal error.

Three-Dimensional Thermal Boundary Layer Corrections for Circular Heat Flux Gauges Mounted in a Flat Plate with a Surface Temperature Discontinuity

NASA Technical Reports Server (NTRS)

Kandula, M.; Haddad, G. F.; Chen, R.-H.

2006-01-01

Three-dimensional Navier-Stokes computational fluid dynamics (CFD) analysis has been performed in an effort to determine thermal boundary layer correction factors for circular convective heat flux gauges (such as Schmidt-Boelter and plug type)mounted flush in a flat plate subjected to a stepwise surface temperature discontinuity. Turbulent flow solutions with temperature-dependent properties are obtained for a free stream Reynolds number of 1E6, and freestream Mach numbers of 2 and 4. The effect of gauge diameter and the plate surface temperature have been investigated. The 3-D CFD results for the heat flux correction factors are compared to quasi-21) results deduced from constant property integral solutions and also 2-D CFD analysis with both constant and variable properties. The role of three-dimensionality and of property variations on the heat flux correction factors has been demonstrated.

Stability of colloidal gold and determination of the Hamaker constant

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

Demirci, S.; Enuestuen, B.V.; Turkevich, J.

1978-12-14

Previous computation of stability factors of colloidal gold from coagulation data was found to be in systematic error due to an underestimation of the particle concentration by electron microscopy. A new experimental technique was developed for determination of this concentration. Stability factors were recalculated from the previous data using the correct concentration. While most of the previously reported conclusions remain unchanged, the absolute rate of fast coagulation is found to agree with that predicted by the theory. A value of the Hamaker constant was determined from the corrected data.

Stability of aerosol droplets in Bessel beam optical traps under constant and pulsed external forces

NASA Astrophysics Data System (ADS)

David, Grégory; Esat, Kıvanç; Hartweg, Sebastian; Cremer, Johannes; Chasovskikh, Egor; Signorell, Ruth

2015-04-01

We report on the dynamics of aerosol droplets in optical traps under the influence of additional constant and pulsed external forces. Experimental results are compared with simulations of the three-dimensional droplet dynamics for two types of optical traps, the counter-propagating Bessel beam (CPBB) trap and the quadruple Bessel beam (QBB) trap. Under the influence of a constant gas flow (constant external force), the QBB trap is found to be more stable compared with the CPBB trap. By contrast, under pulsed laser excitation with laser pulse durations of nanoseconds (pulsed external force), the type of trap is of minor importance for the droplet stability. It typically needs pulsed laser forces that are several orders of magnitude higher than the optical forces to induce escape of the droplet from the trap. If the droplet strongly absorbs the pulsed laser light, these escape forces can be strongly reduced. The lower stability of absorbing droplets is a result of secondary thermal processes that cause droplet escape.

Stability of aerosol droplets in Bessel beam optical traps under constant and pulsed external forces.

PubMed

David, Grégory; Esat, Kıvanç; Hartweg, Sebastian; Cremer, Johannes; Chasovskikh, Egor; Signorell, Ruth

2015-04-21

We report on the dynamics of aerosol droplets in optical traps under the influence of additional constant and pulsed external forces. Experimental results are compared with simulations of the three-dimensional droplet dynamics for two types of optical traps, the counter-propagating Bessel beam (CPBB) trap and the quadruple Bessel beam (QBB) trap. Under the influence of a constant gas flow (constant external force), the QBB trap is found to be more stable compared with the CPBB trap. By contrast, under pulsed laser excitation with laser pulse durations of nanoseconds (pulsed external force), the type of trap is of minor importance for the droplet stability. It typically needs pulsed laser forces that are several orders of magnitude higher than the optical forces to induce escape of the droplet from the trap. If the droplet strongly absorbs the pulsed laser light, these escape forces can be strongly reduced. The lower stability of absorbing droplets is a result of secondary thermal processes that cause droplet escape.

The stability of gadolinium-based contrast agents in human serum: A reanalysis of literature data and association with clinical outcomes.

PubMed

Prybylski, John P; Semelka, Richard C; Jay, Michael

2017-05-01

To reanalyze literature data of gadolinium (Gd)-based contrast agents (GBCAs) in plasma with a kinetic model of dissociation to provide a comprehensive assessment of equilibrium conditions for linear GBCAs. Data for the release of Gd from GBCAs in human serum was extracted from a previous report in the literature and fit to a kinetic dissociation/association model. The conditional stabilities (logK cond ) and percent intact over time were calculated using the model rate constants. The correlations between clinical outcomes and logK cond or other stability indices were determined. The release curves for Omniscan®, gadodiamide, OptiMARK®, gadoversetamide Magnevist® and Multihance® were extracted and all fit well to the kinetic model. The logK cond s calculated from the rate constants were on the order of ~4-6, and were not significantly altered by excess ligand or phosphate. The stability constant based on the amount intact by the initial elimination half-life of GBCAs in plasma provided good correlation with outcomes observed in patients. Estimation of the kinetic constants for GBCA dissociation/association revealed that their stability in physiological fluid is much lower than previous approaches would suggest, which correlates well with deposition and pharmacokinetic observations of GBCAs in human patients. Copyright © 2017 Elsevier Inc. All rights reserved.

Improved thermodynamic model for interaction of EDTA with trivalent actinides and lanthanide to ionic strength of 6.60 m

NASA Astrophysics Data System (ADS)

Thakur, Punam; Xiong, Yongliang; Borkowski, Marian; Choppin, Gregory R.

2014-05-01

The dissociation constants of ethylenediaminetetraacetic acid (H4EDTA), and the stability constants of Am3+, Cm3+and Eu3+ with EDTA4- have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and an extraction technique, respectively. The formation of only 1:1 complex, M(EDTA)-, where (M = Am3+, Cm3+ and Eu3+), was observed under the experimental conditions. The observed ionic strength dependencies of the dissociation constants and the stability constants have been described successfully over the entire ionic strength range using the Pitzer model. The thermodynamic stability constant: logβ1010=20.55±0.18 for Am3+, logβ1010=20.43±0.20 for Cm3+ and logβ1010=20.65±0.19 for Eu3+ were calculated by extrapolation of data to zero ionic strength in an NaClO4 medium. In addition, logβ1010 of 20.05 ± 0.40 for Am3+ was obtained by simultaneously modeling data both in NaCl and NaClO4 media. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β(0), β(1), and Cϕ determined in this work. The improved model presented in this work would enable researchers to model accurately the potential mobility of actinides (III) and light rare earth elements to ionic strength of 6.60 m in low temperature environments in the presence of EDTA.

Analysis of flight data from a High-Incidence Research Model by system identification methods

NASA Technical Reports Server (NTRS)

Batterson, James G.; Klein, Vladislav

1989-01-01

Data partitioning and modified stepwise regression were applied to recorded flight data from a Royal Aerospace Establishment high incidence research model. An aerodynamic model structure and corresponding stability and control derivatives were determined for angles of attack between 18 and 30 deg. Several nonlinearities in angles of attack and sideslip as well as a unique roll-dominated set of lateral modes were found. All flight estimated values were compared to available wind tunnel measurements.

Kinetic Studies on the Reaction of Chlorosulfonyl Isocyanate with Monofluoralkenes: Experimental Evidence for Both Stepwise and Concerted Mechanisms, and a Pre-equilibrium Complex on the Reaction Pathway

DTIC Science & Technology

2012-12-14

lactams that are readily reduced to β-lactams. Substitution of a vinyl hydrogen for a vinyl fluorine changes the dynamics for reaction with CSI so...hydrogen for a vinyl fluorine changes the dynamics for reaction with CSI so that a concerted pathway is favored. Rate constants were measured for...step pathway has not been demonstrated experimentally.3c In a recent paper, we found that substituting a hydrogen for a fluorine on the π-bond of an

Inflation with a smooth constant-roll to constant-roll era transition

NASA Astrophysics Data System (ADS)

Odintsov, S. D.; Oikonomou, V. K.

2017-07-01

In this paper, we study canonical scalar field models, with a varying second slow-roll parameter, that allow transitions between constant-roll eras. In the models with two constant-roll eras, it is possible to avoid fine-tunings in the initial conditions of the scalar field. We mainly focus on the stability of the resulting solutions, and we also investigate if these solutions are attractors of the cosmological system. We shall calculate the resulting scalar potential and, by using a numerical approach, we examine the stability and attractor properties of the solutions. As we show, the first constant-roll era is dynamically unstable towards linear perturbations, and the cosmological system is driven by the attractor solution to the final constant-roll era. As we demonstrate, it is possible to have a nearly scale-invariant power spectrum of primordial curvature perturbations in some cases; however, this is strongly model dependent and depends on the rate of the final constant-roll era. Finally, we present, in brief, the essential features of a model that allows oscillations between constant-roll eras.

Studies of the Speed Stability of a Tandem Helicopter in Forward Flight

NASA Technical Reports Server (NTRS)

Tapscott, Robert J; Amer, Kenneth B

1956-01-01

Flight-test measurements, related analytical studies, and corresponding pilots' opinions of the speed stability of tandem-rotor helicopter are presented. An undesirable instability, evidenced by rearward stick motion with increasing forward speed at constant power, is indicated to be caused by variations with speed of the front-rotor downwash at the rear rotor. An analytical expression for predicting changes in speed stability caused by changes in rotor geometry is derived and constants for use with the analytical expression are presented in chart form. Means for improving stability with speed are studied both analytically and experimentally. The test results also give some information as to the flow conditions at the rear rotor.

Spectroscopic studies of Np(V) complexation

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

Stout, B.E.

The complexation of Np(V) with aliphatic (oxalic, malonic, succinic, glutaric, and maleic) and aromatic (phthalic, pyromellitic, hemimellitic, trimellitic, and mellitic) polycarboxylic acids was studied by spectrophotometry at 1 M ionic strength (NaClO{sub 4}) and 23 C. For the aliphatic systems, the stability of the neptunyl complexes was found to decrease as the carbon chain length of the ligand increased which was attributed to an entropy effect. In polycarboxylate systems, the stability constant decreased in the order hemimellitate > mellitate > pyromellitate > trimellitate, phthalate. With the exception of hemimellitate, this trend follows the order of decreasing basicity of the ligand.more » After correction of the stability constant for statistical effects, the stability of the mellitate, pyromellitate, trimellitate, and phthalate complexes were approximately the same. The unexpected strength the hemimellitate complexation was attributed to an increase in electron density at the binding site from the non-chelating carboxylate group through induction. The complexation of phthalate, trimellitate and hemimellitate and mellitate were studied as a function of pH. Trimellitate and mellitate were found to form ML as well as ML complexes while for phthalate and hemimellitate only ML species were observed. The stability constants of the cation-cation complexes Np(V)-U(VI) and Np(V)-Np(V), measured at 6 M ionic strength (HClO{sub 4}) and 25 C, were found to be 2.45 {+-} 0.05 and 1.41 {+-} 0.14, respectively. The change in enthalpy for the Np(V)-U(VI) system as determined by the measurement of the stability constant as function of temperature was -14.3 {+-} 1.6 kJ/mol.« less

Fluorescence and electron paramagnetic resonance studies of norfloxacin and N-donor mixed-ligand ternary copper(II) complexes: Stability and interaction with SDS micelles

NASA Astrophysics Data System (ADS)

Vignoli Muniz, Gabriel S.; Incio, Jimmy Llontop; Alves, Odivaldo C.; Krambrock, Klaus; Teixeira, Letícia R.; Louro, Sonia R. W.

2018-01-01

The stability of ternary copper(II) complexes of a heterocyclic ligand, L (L being 2,2‧-bipyridine (bipy) or 1,10-phenanthroline (phen)) and the fluorescent antibacterial agent norfloxacin (NFX) as the second ligand was studied at pH 7.4 and different ionic strengths. Fluorescence quenching upon titration of NFX with the binary complexes allowed to obtain stability constants for NFX binding, Kb, as a function of ionic strength. The Kb values vary by more than two orders of magnitude when buffer concentration varies from 0.5 to 100 mM. It was observed that previously synthesized ternary complexes dissociate in buffer according with the obtained stability constants. This shows that equimolar solutions of NFX and binary complexes are equivalent to solutions of synthesized ternary complexes. The interaction of the ternary copper complexes with anionic SDS (sodium dodecyl sulfate) micelles was studied by fluorescence and electron paramagnetic resonance (EPR). Titration of NFX-loaded SDS micelles with the complexes Cu:L allowed to determine the stability constants inside the micelles. Fluorescence quenching demonstrated that SDS micelles increase the stability constants by factors around 50. EPR spectra gave details of the copper(II) local environment, and demonstrated that the structure of the ternary complexes inside SDS micelles is different from that in buffer. Mononuclear ternary complexes formed inside the micelles, while in buffer most ternary complexes are binuclear. The results show that anionic membrane interfaces increase formation of copper fluoroquinolone complexes, which can influence bioavailability, membrane diffusion, and mechanism of action of the antibiotics.

Substituent effects and pH profiles for stability constants of arylboronic acid diol esters.

PubMed

Martínez-Aguirre, Mayte A; Villamil-Ramos, Raul; Guerrero-Alvarez, Jorge A; Yatsimirsky, Anatoly K

2013-05-17

Stability constants of boronic acid diol esters in aqueous solution have been determined potentiometrically for a series of meta-, para-substituted phenylboronic acids and diols of variable acidity. The constants β(11-1) for reactions between neutral forms of reactants producing the anionic ester plus proton follow the Hammett equation with ρ depending on pKa of diol and varying from 2.0 for glucose to 1.29 for 4-nitrocatechol. Observed stability constants (K(obs)) measured by UV-vis and fluorometric titrations at variable pH for esters of 4,5-dihydroxy-1,3-benzenedisulfonate (Tiron) generally agree with those expected on the basis of β(11-1) values, but the direct fitting of K(obs) vs pH profiles gives shifted pKa values both for boronic acids and diol as a result of significant interdependence of fitting parameters. The subsituent effects on absorption and fluorescence spectra of Tiron arylboronate esters are characterized. The K(obs) for Tiron determined by (11)B NMR titrations are approximately 1 order of magnitude smaller than those determined by UV-vis titrations under identical conditions. A general equation, which makes possible an estimate of β(11-1) for any pair of boronic acid and diol from their pKa values, is proposed on the basis of established Brönsted-type correlation of Hammett parameters for β(11-1) with acidity of diols. The equation allows one to calculate stability constants expected only on basis of acid-base properties of the components, thus permitting more strict evaluation of contributions of additional factors such as steric or charge effects to the ester stability.

Assessing intravascular volume by difference in pulse pressure in pigs submitted to graded hemorrhage.

PubMed

Pestel, Gunther J; Hiltebrand, Luzius B; Fukui, Kimiko; Cohen, Delphine; Hager, Helmut; Kurz, Andrea M

2006-10-01

We assessed changes in intravascular volume monitored by difference in pulse pressure (dPP%) after stepwise hemorrhage in an experimental pig model. Six pigs (23-25 kg) were anesthetized (isoflurane 1.5 vol%) and mechanically ventilated to keep end-tidal CO2 (etCO2) at 35 mmHg. A PA-catheter and an arterial catheter were placed via femoral access. During and after surgery, animals received lactated Ringer's solution as long as they were considered volume responders (dPP>13%). Then animals were allowed to stabilize from the induction of anesthesia and insertion of catheters for 30 min. After stabilization, baseline measurements were taken. Five percent of blood volume was withdrawn, followed by another 5%, and then in 10%-increments until death from exsanguination occurred. After withdrawal of 5% of blood volume, all pigs were considered volume responders (dPP>13%); dPP rose significantly from 6.1+/-3.3% to 19.4+/-4.2%. The regression analysis of stepwise hemorrhage revealed a linear relation between blood loss (hemorrhage in %) and dPP (y=0.99*x+14; R2=0.7764; P<.0001). In addition, dPP was the only parameter that changed significantly between baseline and a blood loss of 5% (P<0.01), whereas cardiac output, stroke volume, heart rate, MAP, central venous pressure, pulmonary artery occlusion pressure, and systemic vascular resistance, respectively, remained unchanged. We conclude that in an experimental hypovolemic pig model, dPP correlates well with blood loss.

Tailored Gallium(III) chelator NOPO: synthesis, characterization, bioconjugation, and application in preclinical Ga-68-PET imaging.

PubMed

Simeček, Jakub; Zemek, Ondřej; Hermann, Petr; Notni, Johannes; Wester, Hans-Jürgen

2014-11-03

The bifunctional chelator NOPO (1,4,7-triazacyclononane-1,4-bis[methylene(hydroxymethyl)phosphinic acid]-7-[methylene(2-carboxyethyl)phosphinic acid]) shows remarkably high Ga(III) complexation efficiency and comprises one carboxylic acid moiety which is not involved into metal ion coordination. An improved synthetic protocol affords NOPO with 45% overall yield. Stepwise protonation constants (log Ka), determined by potentiometry, are 11.96, 5.22, 3.77, and 1.54; the stability constant of the Ga(III) complex is log KGaL = 25.0. Within 5 min, (68)Ga(III) incorporation by NOPO is virtually quantitative at room temperature between pH 3 and 4, and at 95 °C at pH ranging from 0.5 to 7, at NOPO concentrations of 30 μM and 10 μM, respectively. During amide bond formation at the distant carboxylate using the HATU coupling reagent, an intramolecular phosphinic acid ester (phosphilactone) is formed, which is cleaved during (68)Ga complexation or in acidic media, such as trifluoroacetic acid (TFA). Phosphilactone formation can also be suppressed by complexation of Zn(2+) prior to conjugation, the resulting zinc-containing conjugates nevertheless being suitable for direct (68)Ga-labeling. In AR42J (rat pancreatic carcinoma) xenografted CD-1 nude mice, (68)Ga-labeled NOPO-NaI(3)-octreotide conjugate ((68)Ga-NOPO-NOC) showed high and fully blockable tumor uptake (13.9 ± 5% ID/g, 120 min p.i., compared to 0.9 ± 0.4% ID/g with 5 mg/kg of nonlabeled peptide). Uptake in other tissues was generally below 3% ID/g, except appearance of excretion-related activity accumulation in kidneys. NOPO-functionalized compounds tend to be more hydrophilic than the corresponding DOTA- and NODAGA-conjugates, thus promoting fast and extensive renal excretion of (68)Ga-NOPO-radiopharmaceuticals. NOPO-functionalized peptides provide suitable pharmacokinetics in vivo and meet all requirements for efficient (68)Ga-labeling even at room temperature in a kit-like manner.

Risk-adjusted capitation funding models for chronic disease in Australia: alternatives to casemix funding.

PubMed

Antioch, K M; Walsh, M K

2002-01-01

Under Australian casemix funding arrangements that use Diagnosis-Related Groups (DRGs) the average price is policy based, not benchmarked. Cost weights are too low for State-wide chronic disease services. Risk-adjusted Capitation Funding Models (RACFM) are feasible alternatives. A RACFM was developed for public patients with cystic fibrosis treated by an Australian Health Maintenance Organization (AHMO). Adverse selection is of limited concern since patients pay solidarity contributions via Medicare levy with no premium contributions to the AHMO. Sponsors paying premium subsidies are the State of Victoria and the Federal Government. Cost per patient is the dependent variable in the multiple regression. Data on DRG 173 (cystic fibrosis) patients were assessed for heteroskedasticity, multicollinearity, structural stability and functional form. Stepwise linear regression excluded non-significant variables. Significant variables were 'emergency' (1276.9), 'outlier' (6377.1), 'complexity' (3043.5), 'procedures' (317.4) and the constant (4492.7) (R(2)=0.21, SE=3598.3, F=14.39, Prob<0.0001. Regression coefficients represent the additional per patient costs summed to the base payment (constant). The model explained 21% of the variance in cost per patient. The payment rate is adjusted by a best practice annual admission rate per patient. The model is a blended RACFM for in-patient, out-patient, Hospital In The Home, Fee-For-Service Federal payments for drugs and medical services; lump sum lung transplant payments and risk sharing through cost (loss) outlier payments. State and Federally funded home and palliative services are 'carved out'. The model, which has national application via Coordinated Care Trials and by Australian States for RACFMs may be instructive for Germany, which plans to use Australian DRGs for casemix funding. The capitation alternative for chronic disease can improve equity, allocative efficiency and distributional justice. The use of Diagnostic Cost Groups (DCGs) is a promising alternative classification system for capitation arrangements.

High energy X-ray diffraction study of a dental ceramics–titanium functional gradient material prepared by field assisted sintering technique

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

Witte, K., E-mail: kerstin.witte@uni-rostock.de; Bodnar, W.; Schell, N.

A functional gradient material with eleven layers composed of a dental ceramics and titanium was successfully consolidated using field assisted sintering technique in a two-step sintering process. High energy X-ray diffraction studies on the gradient were performed at High Energy Material Science beamline at Desy in Hamburg. Phase composition, crystal unit edges and lattice mismatch along the gradient were determined applying Rietveld refinement procedure. Phase analysis revealed that the main crystalline phase present in the gradient is α-Ti. Crystallinity increases stepwisely along the gradient with a decreasing increment between every next layer, following rather the weight fraction of titanium. Themore » crystal unit edge a of titanium remains approximately constant with a value of 2.9686(1) Å, while c is reduced with increasing amount of titanium. In the layer with pure titanium the crystal unit edge c is constant with a value of 4.7174(2) Å. The lattice mismatch leading to an internal stress was calculated over the whole gradient. It was found that the maximal internal stress in titanium embedded in the studied gradient is significantly smaller than its yield strength, which implies that the structure of titanium along the whole gradient is mechanically stable. - Highlights: • High energy XRD studies of dental ceramics–Ti gradient material consolidated by FAST. • Phase composition, crystallinity and lattice parameters are determined. • Crystallinity increases stepwisely along the gradient following weight fraction of Ti. • Lattice mismatch leading to internal stress is calculated over the whole gradient. • Internal stress in α-Ti embedded in the gradient is smaller than its yield strength.« less

Disjointness of Stabilizer Codes and Limitations on Fault-Tolerant Logical Gates

NASA Astrophysics Data System (ADS)

Jochym-O'Connor, Tomas; Kubica, Aleksander; Yoder, Theodore J.

2018-04-01

Stabilizer codes are among the most successful quantum error-correcting codes, yet they have important limitations on their ability to fault tolerantly compute. Here, we introduce a new quantity, the disjointness of the stabilizer code, which, roughly speaking, is the number of mostly nonoverlapping representations of any given nontrivial logical Pauli operator. The notion of disjointness proves useful in limiting transversal gates on any error-detecting stabilizer code to a finite level of the Clifford hierarchy. For code families, we can similarly restrict logical operators implemented by constant-depth circuits. For instance, we show that it is impossible, with a constant-depth but possibly geometrically nonlocal circuit, to implement a logical non-Clifford gate on the standard two-dimensional surface code.

Stability of aerosol droplets in Bessel beam optical traps under constant and pulsed external forces

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

David, Grégory; Esat, Kıvanç; Hartweg, Sebastian

We report on the dynamics of aerosol droplets in optical traps under the influence of additional constant and pulsed external forces. Experimental results are compared with simulations of the three-dimensional droplet dynamics for two types of optical traps, the counter-propagating Bessel beam (CPBB) trap and the quadruple Bessel beam (QBB) trap. Under the influence of a constant gas flow (constant external force), the QBB trap is found to be more stable compared with the CPBB trap. By contrast, under pulsed laser excitation with laser pulse durations of nanoseconds (pulsed external force), the type of trap is of minor importance formore » the droplet stability. It typically needs pulsed laser forces that are several orders of magnitude higher than the optical forces to induce escape of the droplet from the trap. If the droplet strongly absorbs the pulsed laser light, these escape forces can be strongly reduced. The lower stability of absorbing droplets is a result of secondary thermal processes that cause droplet escape.« less

Stabilities of lead(II) complexes formed in aqueous solution with methyl thiophosphate (MeOPS(2-)), uridine 5'- O-thiomonophosphate (UMPS(2-)) or adenosine 5'- O-thiomonophosphate (AMPS(2-)).

PubMed

Da Costa, Carla P; Krajewska, Danuta; Okruszek, Andrzej; Stec, Wojciech J; Sigel, Helmut

2002-04-01

The acidity constants of twofold protonated methyl thiophosphate (MeOPS(2-)) and of monoprotonated uridine 5'- O-thiomonophosphate (UMPS(2-)) have been determined in aqueous solution (25 degrees C; I= 0.1 M, NaNO(3)) by potentiometric pH titration. The stability constants of their 1:1 complexes formed with Pb(2+), i.e. Pb(MeOPS) and Pb(UMPS), have also been measured. The results show that replacement of a phosphate oxygen by a sulfur atom increases the acidity by about 1.4 p K units. On the basis of recently established log versus plots ( = simple phosphate or phosphonate ligands where R is a non-coordinating residue), it is shown that the stability of the Pb(thiophosphate) complexes is by log Delta= 2.43+/-0.09 larger than expected for a Pb(2+)-phosphate interaction. The identity of the stability increase (log Delta) observed for Pb(MeOPS) and Pb(UMPS) shows that the nucleobase residue in the Pb(UMPS) complex has no influence on complex formation. To be able to carry out the mentioned comparisons, we have also determined the stability constant of the complex formed between Pb(2+) and methyl phosphate; the corresponding data for Pb(UMP) were already known from our earlier studies. The present results allow an evaluation of other Pb(2+) complexes formed with thiophosphate derivatives and they are applied now to the Pb(2+) complexes of adenosine 5'- O-thiomonophosphate (AMPS(2-)). The stability constants of the Pb(H;AMPS)(+) and Pb(AMPS) complexes were measured and it is shown that, within the error limits, the stability of the Pb(AMPS) complex is determined by the basicity of the thiophosphate group of AMPS(2-); in other words, no hint for macrochelate formation involving N7 was observed. More important, with the aid of micro-stability-constant considerations it is concluded that the structure of the dominating isomer of the Pb(H;AMPS)(+) species is the one where the proton is located at the N1 site of the adenine residue and Pb(2+) is coordinated to the deprotonated thiophosphate group. The insights gained from this study with regard to thiophosphate-altered single-stranded nucleic acids and their affinity towards Pb(2+) are discussed.

Stepwise sequential analysis of stable multiradicals formation in polyphenolic myricetin active OH groups throughout the antioxidant process to scavenge free radicals

NASA Astrophysics Data System (ADS)

Barzegar, Abolfazl; Rezaei-Sadabady, Rogaie

2017-10-01

Five galvinoxyl radicals (Grad) reduction by one polyphenolic myricetin (Myc, 3,3‧,4‧,5,5‧,7-Hexahydroxyflavone) molecule-using EPR method-demonstrated that each Myc should donate at least five H atoms resulted in multiradicals Myc5rad (5 Grad + 1Myc → 5 GH + 1 Myc5rad). The process that five H atoms donation occurs from different OH sites of Myc lead to appearing of five unpaired valence electrons of Myc5rad via two possible different mechanisms. First; concerted five H atoms donation from five different OH groups that directly results in Myc5rad radicals (Myc → Myc5rad). Second; the step-wise radical formation in five different OH groups of Myc (Myc → Mycrad → Myc2rad → Myc3rad → Myc4rad → Myc5rad). Computational DFT method was used to analyze all the six different OH groups of Myc which involved in free radical reactions for the purposes of clarification the stable multiradicals Myc5rad formation mechanism. The fast semi-empirical combined quantum method, AM1/DFT, as well as full DFT geometry optimization approaches of B3LYP functional DFT/DFT with different basis sets of 6-31G (d), 6-311 + G (d,p) and 6-311 + G (2d,2p) confirmed the stepwise H atom abstraction trend on the main three hydroxyl sites as 4‧-Orad → 4‧-Orad3-Orad → 4‧-Orad3-Orad-7Orad both in the gas and water phase. Spin delocalization over the entire Myc, adding the co-planarity, contributed to the stabilization of respective radical species. The excellent stability of Myc radicals should give an effective chain-breaking antioxidant activity for Myc in biological environment which is expected to have far fewer side effects. These findings may be useful to elucidate the radical scavenging mechanism of other flavonoids regarding to design novel antioxidants.

Asymptotical AdS space from nonlinear gravitational models with stabilized extra dimensions

NASA Astrophysics Data System (ADS)

Günther, U.; Moniz, P.; Zhuk, A.

2002-08-01

We consider nonlinear gravitational models with a multidimensional warped product geometry. Particular attention is payed to models with quadratic scalar curvature terms. It is shown that for certain parameter ranges, the extra dimensions are stabilized if the internal spaces have a negative constant curvature. In this case, the four-dimensional effective cosmological constant as well as the bulk cosmological constant become negative. As a consequence, the homogeneous and isotropic external space is asymptotically AdS4. The connection between the D-dimensional and the four-dimensional fundamental mass scales sets a restriction on the parameters of the considered nonlinear models.

Failure of ESI Spectra to Represent Metal-Complex Solution Composition: A Study of Lanthanide-Carboxylate Complexes

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

McDonald, Luther W.; Campbell, James A.; Clark, Sue B.

2014-01-21

Electrospray ionization - mass spectrometry (ESI-MS) was used for the characterization of uranyl complexed to tributyl phosphate (TBP) and dibutyl phosphate (DBP). The stoichiometry of uranyl with TBP and DBP was determined, and the gas phase speciation was found to be dependent on the cone voltage applied to induce fragmentation on the gas phase complexes. To quantitatively compare the gas phase distribution of species to solution, apparent stability constants were calculated. With a cone voltage of 80V, the apparent stability constants for the complexes UO2(NO3)2•2TBP, UO2(NO3)2(H2O)•2TBP, and UO2(DBP)+ were determined. With a lower cone voltage applied, larger complexes were observedmore » and stability constants for the complexes UO2(NO3)2•3TBP and UO2(DBP)42- were determined.« less

Filopodial dynamics and growth cone stabilization in Drosophila visual circuit development

PubMed Central

Özel, Mehmet Neset; Langen, Marion; Hassan, Bassem A; Hiesinger, P Robin

2015-01-01

Filopodial dynamics are thought to control growth cone guidance, but the types and roles of growth cone dynamics underlying neural circuit assembly in a living brain are largely unknown. To address this issue, we have developed long-term, continuous, fast and high-resolution imaging of growth cone dynamics from axon growth to synapse formation in cultured Drosophila brains. Using R7 photoreceptor neurons as a model we show that >90% of the growth cone filopodia exhibit fast, stochastic dynamics that persist despite ongoing stepwise layer formation. Correspondingly, R7 growth cones stabilize early and change their final position by passive dislocation. N-Cadherin controls both fast filopodial dynamics and growth cone stabilization. Surprisingly, loss of N-Cadherin causes no primary targeting defects, but destabilizes R7 growth cones to jump between correct and incorrect layers. Hence, growth cone dynamics can influence wiring specificity without a direct role in target recognition and implement simple rules during circuit assembly. DOI: http://dx.doi.org/10.7554/eLife.10721.001 PMID:26512889

Constant-load delayed fracture test of atmospherically corroded high strength steels

NASA Astrophysics Data System (ADS)

Akiyama, Eiji; Matsukado, Katsuhiro; Li, Songjie; Tsuzaki, Kaneaki

2011-07-01

Constant load tests of circumferentially notched round bar specimens of high strength steels after cyclic corrosion test and outdoor exposure have been performed to demonstrate that delayed fracture occurs when the hydrogen content from the environment, H E, exceeds the critical hydrogen content for delayed fracture, H C. During the constant load tests the humidity around the specimen was increased in stepwise manner to increase hydrogen entry. After fracture the specimen was kept at the humidity long enough to homogenize hydrogen in the specimen and to obtain more quantitative hydrogen content by thermal desorption analysis. H E of the fractured specimens was higher than H C, and H E of the specimens not fractured was lower than H C. This result confirms that the balance between H C and H E determines the occurrence of delayed fracture and that hydrogen-content-based evaluation of susceptibility to delayed fracture is reasonable. To certify the increase of H E with increase in humidity, electrochemical hydrogen permeation test was carried out. The hydrogen permeation current density was increased especially at 98%RH. Enhancement of hydrogen entry with increase in CCT number was also shown by the test.

Unfolding of chondroitinase ABC Ι is dependent on thermodynamic driving force by kinetically rate constant-amplitude compensation: A stopped-flow fluorescence study.

PubMed

Shirdel, S Akram; Khalifeh, Khosrow; Ranjbar, Bijan; Golestani, Abolfazl; Khajeh, Khosro

2016-11-01

We had previously investigated the role of a loop on the activity and conformational stability of chondroitinase ABC Ι (cABC Ι) by constructing some representative mutants in which a network interaction around Asp 689 was manipulated. Here we extended our study by measuring the proteolytic resistance, long term and thermal stability as well as unfolding kinetics of these variants. Long term stability data at 4 and 25°C for 3 weeks indicates that all mutants remain considerably active at 4°C. Thermoinactivation rates for all variants shows that the wild type (WT) enzyme retained 50% of its activity after 2min keeping at 40°C, while L701T, H700N and H700N/L701T as conformationally stabilized variants, have slower inactivation rate. It was also found that compact and thermodynamically stabilized variants are more resistant to tryptolytic digestion. Also, kinetic curves of chemical unfolding of the enzyme variants from stopped-flow fluorescence measurements were best fitted into a three-exponential function with three rate constants and corresponding amplitudes. We found that the energy barrier of the fast unfolding phase is lower in stabilized variants; while the amplitude of this phase to the whole amplitude of the unfolding reaction is lower than that of destabilized variants, indicating more population of stabilized mutants unfold via slower unfolding phase. We concluded that the rate of local conformational change alone is not the same that is expected from global thermodynamic stability; however the corresponding amplitude can compensate the rate constant toward thermodynamic stability. Copyright © 2016 Elsevier Inc. All rights reserved.

Thermodynamic characteristics of the protolytic equilibria of tetramethylenediamine- N,N,N', N'-tetraacetic acid

NASA Astrophysics Data System (ADS)

Gridchin, S. N.; Nikol'skii, V. M.

2014-04-01

The stepwise dissociation constants of tetramethylenediamine- N,N,N', N'-tetraacetic acid (H4L) are determined by means of potentiometry at 298.15 K and ionic strength values of 0.1, 0.5, and 1.0 (KNO3). The heat effects of the dissociation of the betaine groups of the complexone are measured by direct calorimetry. The standard thermodynamic characteristics of the protolytic equilibria of H4L are calculated via combined use of the results from thermochemical and potentiometric studies performed under identical experimental conditions. Our results are compared with the corresponding data on relative compounds.

Size-Induced Segregation in the Stepwise Microhydration of Hydantoin and Its Role in Proton-Induced Charge Transfer

NASA Astrophysics Data System (ADS)

Calvo, Florent; Bacchus-Montabonel, Marie-Christine

2018-01-01

Recent photochemistry experiments provided evidence for the formation of hydantoin by irradiation of interstellar ice analogues. The significance of these results and the importance of hydantoin in prebiotic chemistry and polypeptide synthesis motivate the present theoretical investigation, in which we analyzed the effects of stepwise hydration on the electronic and thermodynamical properties of the structure of microhydrated hydantoin using a variety of computational approaches. We generally find microhydration to proceed around the hydantoin heterocycle until 5 water molecules are reached, at which stage hydration becomes segregated with a water cluster forming aside the heterocycle. The reactivity of microhydrated hydantoin caused by an impinging proton was evaluated through charge transfer collision cross sections for microhydrated compounds but also for hydantoin on icy grains modeled using a cluster approach mimicking the true hexagonal ice surface. The effects of hydration on charge transfer efficiency are mostly significant when few water molecules are present, and they progressively weaken and stabilize in larger clusters. On the ice substrate, charge transfer essentially contributes to a global increase in the cross sections.

Soil stabilization linked to plant diversity and environmental context in coastal wetlands.

PubMed

Ford, Hilary; Garbutt, Angus; Ladd, Cai; Malarkey, Jonathan; Skov, Martin W

2016-03-01

Plants play a pivotal role in soil stabilization, with above-ground vegetation and roots combining to physically protect soil against erosion. It is possible that diverse plant communities boost root biomass, with knock-on positive effects for soil stability, but these relationships are yet to be disentangled. We hypothesize that soil erosion rates fall with increased plant species richness, and test explicitly how closely root biomass is associated with plant diversity. We tested this hypothesis in salt marsh grasslands, dynamic ecosystems with a key role in flood protection. Using step-wise regression, the influences of biotic (e.g. plant diversity) and abiotic variables on root biomass and soil stability were determined for salt marshes with two contrasting soil types: erosion-resistant clay (Essex, southeast UK) and erosion-prone sand (Morecambe Bay, northwest UK). A total of 132 (30-cm depth) cores of natural marsh were extracted and exposed to lateral erosion by water in a re-circulating flume. Soil erosion rates fell with increased plant species richness ( R 2  = 0.55), when richness was modelled as a single explanatory variable, but was more important in erosion-prone ( R 2  = 0.44) than erosion-resistant ( R 2  = 0.18) regions. As plant species richness increased from two to nine species·m -2 , the coefficient of variation in soil erosion rate decreased significantly ( R 2  = 0.92). Plant species richness was a significant predictor of root biomass ( R 2  = 0.22). Step-wise regression showed that five key variables accounted for 80% of variation in soil erosion rate across regions. Clay-silt fraction and soil carbon stock were linked to lower rates, contributing 24% and 31%, respectively, to variation in erosion rate. In regional analysis, abiotic factors declined in importance, with root biomass explaining 25% of variation. Plant diversity explained 12% of variation in the erosion-prone sandy region. Our study indicates that soil stabilization and root biomass are positively associated with plant diversity. Diversity effects are more pronounced in biogeographical contexts where soils are erosion-prone (sandy, low organic content), suggesting that the pervasive influence of biodiversity on environmental processes also applies to the ecosystem service of erosion protection.

Stepwise drying of medicinal plants as alternative to reduce time and energy processing

NASA Astrophysics Data System (ADS)

Cuervo-Andrade, S. P.; Hensel, O.

2016-07-01

The objective of drying medicinal plants is to extend the shelf life and conserving the fresh characteristics. This is achieved by reducing the water activity (aw) of the product to a value which will inhibit the growth and development of pathogenic and spoilage microorganisms, significantly reducing enzyme activity and the rate at which undesirable chemical reactions occur. The technical drying process requires an enormous amount of thermal and electrical energy. An improvement in the quality of the product to be dried and at the same time a decrease in the drying cost and time are achieved through the utilization of a controlled conventional drying method, which is based on a good utilization of the renewable energy or looking for other alternatives which achieve lower processing times without sacrificing the final product quality. In this work the method of stepwise drying of medicinal plants is presented as an alternative to the conventional drying that uses a constant temperature during the whole process. The objective of stepwise drying is the decrease of drying time and reduction in energy consumption. In this process, apart from observing the effects on decreases the effective drying process time and energy, the influence of the different combinations of drying phases on several characteristics of the product are considered. The tests were carried out with Melissa officinalis L. variety citronella, sowed in greenhouse. For the stepwise drying process different combinations of initial and final temperature, 40/50°C, are evaluated, with different transition points associated to different moisture contents (20, 30, 40% and 50%) of the product during the process. Final quality of dried foods is another important issue in food drying. Drying process has effect in quality attributes drying products. This study was determining the color changes and essential oil loses by reference the measurement of the color and essential oil content of the fresh product was used. Drying curves were obtained to observe the dynamics of the process for different combinations of temperature and points of change, corresponding to different conditions of moisture content of the product.

The relationship between dental implant stability and trabecular bone structure using cone-beam computed tomography

PubMed Central

2016-01-01

Purpose The objective of this study was to investigate the relationships between primary implant stability as measured by impact response frequency and the structural parameters of trabecular bone using cone-beam computed tomography(CBCT), excluding the effect of cortical bone thickness. Methods We measured the impact response of a dental implant placed into swine bone specimens composed of only trabecular bone without the cortical bone layer using an inductive sensor. The peak frequency of the impact response spectrum was determined as an implant stability criterion (SPF). The 3D microstructural parameters were calculated from CT images of the bone specimens obtained using both micro-CT and CBCT. Results SPF had significant positive correlations with trabecular bone structural parameters (BV/TV, BV, BS, BSD, Tb.Th, Tb.N, FD, and BS/BV) (P<0.01) while SPF demonstrated significant negative correlations with other microstructural parameters (Tb.Sp, Tb.Pf, and SMI) using micro-CT and CBCT (P<0.01). Conclusions There was an increase in implant stability prediction by combining BV/TV and SMI in the stepwise forward regression analysis. Bone with high volume density and low surface density shows high implant stability. Well-connected thick bone with small marrow spaces also shows high implant stability. The combination of bone density and architectural parameters measured using CBCT can predict the implant stability more accurately than the density alone in clinical diagnoses. PMID:27127692

An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

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

Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

The dissociation constants of oxalic acid (Ox), and the stability constants of Am 3+, Cm 3+ and Eu 3+ with Ox 2– have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and extraction techniques, respectively. The experimental data support the formation of complexes, M(Ox) n 3 – 2n, where (M = Am 3+, Cm 3+ and Eu 3+ and n = 1 and 2). The dissociation constant and the stability constant values measured as a function of NaClO 4 concentration were used to estimate the Pitzer parameters formore » the respective interactions of Am 3+, Cm 3+ and Eu 3+ with Ox. Furthermore, the stability constants data of Am 3+ –Ox measured in NaClO 4 and in NaCl solutions from the literature were simultaneously fitted in order to refine the existing actinide–oxalate complexation model that can be used universally in the safety assessment of radioactive waste disposal. The thermodynamic stability constant: log β 0 101 = 6.30 ± 0.06 and log β 0 102 = 10.84 ± 0.06 for Am 3+ was obtained by simultaneously fitting data in NaCl and NaClO 4 media. Additionally, log β 0 101 = 6.72 ± 0.08 and log β 0 102 = 11.05 ± 0.09 for the Cm 3+ and log β 0 101 = 6.67 ± 0.08 and log β 0 102 = 11.15 ± 0.09 for the Eu 3+ were calculated by extrapolation of data to zero ionic strength in NaClO 4 medium only. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β (0), β (1), and CΦ determined in this work. The thermodynamic model developed in this work will be useful in accurately modeling the potential solubility of trivalent actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.« less

An improved thermodynamic model for the complexation of trivalent actinides and lanthanide with oxalic acid valid to high ionic strength.

DOE PAGES

Xiong, Yongliang; Thakur, Punam; Borkowski, Marian

2015-07-30

The dissociation constants of oxalic acid (Ox), and the stability constants of Am 3+, Cm 3+ and Eu 3+ with Ox 2– have been determined at 25 °C, over a range of concentration varying from 0.1 to 6.60 m NaClO4 using potentiometric titration and extraction techniques, respectively. The experimental data support the formation of complexes, M(Ox) n 3 – 2n, where (M = Am 3+, Cm 3+ and Eu 3+ and n = 1 and 2). The dissociation constant and the stability constant values measured as a function of NaClO 4 concentration were used to estimate the Pitzer parameters formore » the respective interactions of Am 3+, Cm 3+ and Eu 3+ with Ox. Furthermore, the stability constants data of Am 3+ –Ox measured in NaClO 4 and in NaCl solutions from the literature were simultaneously fitted in order to refine the existing actinide–oxalate complexation model that can be used universally in the safety assessment of radioactive waste disposal. The thermodynamic stability constant: log β 0 101 = 6.30 ± 0.06 and log β 0 102 = 10.84 ± 0.06 for Am 3+ was obtained by simultaneously fitting data in NaCl and NaClO 4 media. Additionally, log β 0 101 = 6.72 ± 0.08 and log β 0 102 = 11.05 ± 0.09 for the Cm 3+ and log β 0 101 = 6.67 ± 0.08 and log β 0 102 = 11.15 ± 0.09 for the Eu 3+ were calculated by extrapolation of data to zero ionic strength in NaClO 4 medium only. For all stability constants, the Pitzer model gives an excellent representation of the data using interaction parameters β (0), β (1), and CΦ determined in this work. The thermodynamic model developed in this work will be useful in accurately modeling the potential solubility of trivalent actinides and early lanthanides to ionic strength of 6.60 m in low temperature environments in the presence of Ox. Furthermore, the work is also applicable to the accurate modeling transport of rare earth elements in various environments under the surface conditions.« less

Natural Genetic Variation for Acclimation of Photosynthetic Light Use Efficiency to Growth Irradiance in Arabidopsis1[OPEN

PubMed Central

Harbinson, Jeremy

2015-01-01

Plants are known to be able to acclimate their photosynthesis to the level of irradiance. Here, we present the analysis of natural genetic variation for photosynthetic light use efficiency (ΦPSII) in response to five light environments among 12 genetically diverse Arabidopsis (Arabidopsis thaliana) accessions. We measured the acclimation of ΦPSII to constant growth irradiances of four different levels (100, 200, 400, and 600 µmol m−2 s−1) by imaging chlorophyll fluorescence after 24 d of growth and compared these results with acclimation of ΦPSII to a step-wise change in irradiance where the growth irradiance was increased from 100 to 600 µmol m−2 s−1 after 24 d of growth. Genotypic variation for ΦPSII is shown by calculating heritability for the short-term ΦPSII response to different irradiance levels as well as for the relation of ΦPSII measured at light saturation (a measure of photosynthetic capacity) to growth irradiance level and for the kinetics of the response to a step-wise increase in irradiance from 100 to 600 µmol m−2 s−1. A genome-wide association study for ΦPSII measured 1 h after a step-wise increase in irradiance identified several new candidate genes controlling this trait. In conclusion, the different photosynthetic responses to a changing light environment displayed by different Arabidopsis accessions are due to genetic differences, and we have identified candidate genes for the photosynthetic response to an irradiance change. The genetic variation for photosynthetic acclimation to irradiance found in this study will allow future identification and analysis of the causal genes for the regulation of ΦPSII in plants. PMID:25670817

Stepwise dynamics of an anionic micellar film - Formation of crown lenses.

PubMed

Lee, Jongju; Nikolov, Alex; Wasan, Darsh

2017-06-15

We studied the stepwise thinning of a microscopic circular foam film formed from an anionic micellar solution of sodium dodecyl sulfate (SDS). The foam film formed from the SDS micellar solution thins in a stepwise manner by the formation and expansion of a dark spot(s) of one layer less than the film thickness. During the last stages of film thinning (e.g., a film with one micellar layer), the dark spot expansion occurs via two steps. Initially, a small dark circular spot inside a film of several microns in size is formed, which expands at a constant rate. Then, a ridge along the expanding spot is formed. As the ridge grows, it becomes unstable and breaks into regular crown lenses, which are seen as white spots in the reflected light at the border of the dark spot with the surrounding thicker film. The Rayleigh type of instability contributes to the formation of the lenses, which results in the increase of the dark spot expansion rate with time. We applied the two-dimensional micellar-vacancy diffusion model and took into consideration the effects of the micellar layering and film volume on the rate of the dark spot expansion [Lee et al., 2016] to predict the rate of the dark spot expansion for a 0.06M SDS film in the presence of lenses. We briefly discuss the Rayleigh type of instability in the case of a 0.06M SDS foam film. The goals of this study are to reveal why the crown lenses are formed during the foam film stratification and to elucidate their effect on the rate of spot expansion. Copyright © 2017 Elsevier Inc. All rights reserved.

Thermodynamic study of complex formation between Ce3+ and cryptand 222 in some binary mixed nonaqueous solvents

NASA Astrophysics Data System (ADS)

Rounaghi, G. H.; Dolatshahi, S.; Tarahomi, S.

2014-12-01

The stoichiometry, stability and the thermodynamic parameters of complex formation between cerium(III) cation and cryptand 222 (4,7,13,16,21,24-hexaoxa-1,10-diazabycyclo[8.8.8]-hexacosane) were studied by conductometric titration method in some binary solvent mixtures of dimethylformamide (DMF), 1,2-dichloroethane (DCE), ethyl acetate (EtOAc) and methyl acetate (MeOAc) with methanol (MeOH), at 288, 298, 308, and 318 K. A model based on 1: 1 stoichiometry has been used to analyze the conductivity data. The data have been fitted according to a non-linear least-squares analysis that provide the stability constant, K f, for the cation-ligand inclusion complex. The results revealed that the stability order of [Ce(cryptand 222)]3+ complex changes with the nature and composition of the solvent system. A non-linear relationship was observed between the stability constant (log K f) of [Ce(cryptand 222)]3+ complex versus the composition of the binary mixed solvent. Standard thermodynamic values were obtained from temperature dependence of the stability constant of the complex, show that the studied complexation process is mainly entropy governed and are influenced by the nature and composition of the binary mixed solvent solutions.

Stability of short-axial-wavelength internal kink modes of an anisotropic plasma

NASA Astrophysics Data System (ADS)

Faghihi, M.; Scheffel, J.

1987-12-01

The double adiabatic equations are used to study the stability of a cylindrical Z-pinch with respect to small axial wavelength, internal kink (m ≥ 1) modes. It is found that marginally (ideally) unstable, isotropic equilibria are stabilized. Also, constant-current-density equilibria can be stabilized for P > P and large β

FT-IR study and solvent-implicit and explicit effect on stepwise tautomerism of Guanylurea: M06-2X as a case of study.

PubMed

Karimzadeh, Morteza; Manouchehri, Neda; Saberi, Dariush; Niknam, Khodabakhsh

2018-06-15

All 66 conformers of guanylurea were optimized and frequency calculations were performed at M06-2X/6-311++G(d,p) level of theory. Theses conformers were categorized into five tautomers, and the most stable conformer of each tautomer were found. Geometrical parameters indicated that these tautomers have almost planar structure. Complete stepwise tautomerism were studied through both intramolecular proton transfer routs and internal rotations. Results indicated that the proton transfer routs involving four-membered heterocyclic structures were rate-determining steps. Also, intramolecular proton movement having six-membered transition state structures had very low energy barrier comparable to the transition states of internal rotation routs. Differentiation of studied tautomers could easily be done through their FT-IR spectra in the range of 3200 to 3900cm -1 by comparing absorption bands and intensity of peaks. Solvent-implicit effects on the stability of tautomers were also studied through re-optimization and frequency calculation in four solvents. Water, DMSO, acetone and toluene had stabilization effect on all considered tautomers, but the order of stabilization effect was as follows: water>DMSO>acetone>toluene. Finally, solvent-explicit, base-explicit and acid-explicit effect were also studied by taking place of studied tautomer nearside of acid, base or solvent and optimization of them. Frequency calculation for proton movement by contribution of explicit effect showed that formic acid had a very strong effect on proton transfer from tautomer A1 to tautomer D8 by lowering the energy barrier from 42.57 to 0.8kcal/mol. In addition, ammonia-explicit effect was found to lower the barrier from 42.57 to 22.46kcal/mol, but this effect is lower than that of water and methanol-explicit effect. Copyright © 2018 Elsevier B.V. All rights reserved.

Theoretical speciation of ethylenediamine-N-(o-hydroxyphenylacetic)-N'-(p-hydroxyphenylacetic) acid (o,p-EDDHA) in agronomic conditions.

PubMed

Yunta, Felipe; García-Marco, Sonia; Lucena, Juan J

2003-08-27

The presence of ethylenediamine-N-(o-hydroxyphenylacetic)-N'-(p-hydroxyphenylacetic) acid (o,p-EDDHA) as the second largest component in commercial EDDHA iron chelates has recently been demonstrated. Here is reported the speciation of o,p-EDDHA by the application of a novel methodology through the determination of the complexing capacity, protonation, and Ca(2+), Mg(2+), Cu(2+), and Fe(3+) stability constants. The pM values and species distribution in solution, hydroponic, and soil conditions were obtained. Due to the para position of one phenol group in o,p-EDDHA, the protonation constants and Ca and Mg stability constants have different values from those of o,o-EDDHA and p,p-EDDHA regioisomers. o,p-EDDHA/Fe(3+) stability constants are higher than those of EDTA/Fe(3+) but lower than those of o,o-EDDHA/Fe(3+). The sequence obtained for pFe is o,o-EDDHA/Fe(3+) >/= o,p-EDDHA/Fe(3+) > EDTA/Fe(3+). o,p-EDDHA/Fe(3+) can be used as an iron chelate in hydroponic conditions. Also, it can be used in soils with limited Cu availability.

Further Results on Finite-Time Partial Stability and Stabilization. Applications to Nonlinear Control Systems

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

Jammazi, Chaker

2009-03-05

The paper gives Lyapunov type sufficient conditions for partial finite-time and asymptotic stability in which some state variables converge to zero while the rest converge to constant values that possibly depend on the initial conditions. The paper then presents partially asymptotically stabilizing controllers for many nonlinear control systems for which continuous asymptotically stabilizing (in the usual sense) controllers are known not to exist.

Method for accurate determination of dissociation constants of optical ratiometric systems: chemical probes, genetically encoded sensors, and interacting molecules.

PubMed

Pomorski, Adam; Kochańczyk, Tomasz; Miłoch, Anna; Krężel, Artur

2013-12-03

Ratiometric chemical probes and genetically encoded sensors are of high interest for both analytical chemists and molecular biologists. Their high sensitivity toward the target ligand and ability to obtain quantitative results without a known sensor concentration have made them a very useful tool in both in vitro and in vivo assays. Although ratiometric sensors are widely used in many applications, their successful and accurate usage depends on how they are characterized in terms of sensing target molecules. The most important feature of probes and sensors besides their optical parameters is an affinity constant toward analyzed molecules. The literature shows that different analytical approaches are used to determine the stability constants, with the ratio approach being most popular. However, oversimplification and lack of attention to detail results in inaccurate determination of stability constants, which in turn affects the results obtained using these sensors. Here, we present a new method where ratio signal is calibrated for borderline values of intensities of both wavelengths, instead of borderline ratio values that generate errors in many studies. At the same time, the equation takes into account the cooperativity factor or fluorescence artifacts and therefore can be used to characterize systems with various stoichiometries and experimental conditions. Accurate determination of stability constants is demonstrated utilizing four known optical ratiometric probes and sensors, together with a discussion regarding other, currently used methods.

14 CFR 29.173 - Static longitudinal stability.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Static longitudinal stability. 29.173... Static longitudinal stability. (a) The longitudinal control must be designed so that a rearward movement... constant during the maneuvers specified in § 29.175(a) through (d), the slope of the control position...

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

Karabacak, Özkan, E-mail: ozkan2917@gmail.com; Department of Electronic Systems, Aalborg University, 9220 Aalborg East; Alikoç, Baran, E-mail: alikoc@itu.edu.tr

Motivated by the chaos suppression methods based on stabilizing an unstable periodic orbit, we study the stability of synchronized periodic orbits of coupled map systems when the period of the orbit is the same as the delay in the information transmission between coupled units. We show that the stability region of a synchronized periodic orbit is determined by the Floquet multiplier of the periodic orbit for the uncoupled map, the coupling constant, the smallest and the largest Laplacian eigenvalue of the adjacency matrix. We prove that the stabilization of an unstable τ-periodic orbit via coupling with delay τ is possiblemore » only when the Floquet multiplier of the orbit is negative and the connection structure is not bipartite. For a given coupling structure, it is possible to find the values of the coupling strength that stabilizes unstable periodic orbits. The most suitable connection topology for stabilization is found to be the all-to-all coupling. On the other hand, a negative coupling constant may lead to destabilization of τ-periodic orbits that are stable for the uncoupled map. We provide examples of coupled logistic maps demonstrating the stabilization and destabilization of synchronized τ-periodic orbits as well as chaos suppression via stabilization of a synchronized τ-periodic orbit.« less

Antioxidant study of quercetin and their metal complex and determination of stability constant by spectrophotometry method.

PubMed

Ravichandran, R; Rajendran, M; Devapiriam, D

2014-03-01

Quercetin found chelate cadmium ions, scavenge free radicals produced by cadmium. Hence new complex, quercetin with cadmium was synthesised, and the synthesised complex structures were determined by UV-vis spectrophotometry, infrared spectroscopy, thermogravimetry and differential thermal analysis techniques (UV-vis, IR, TGA and DTA). The equilibrium stability constants of quercetin-cadmium complex were determined by Job's method. The determined stability constant value of quercetin-cadminum complex at pH 4.4 is 2.27×10(6) and at pH 7.4 is 7.80×10(6). It was found that the quercetin and cadmium ion form 1:1 complex in both pH 4.4 and pH 7.4. The structure of the compounds was elucidated on the basis of obtained results. Furthermore, the antioxidant activity of the free quercetin and quercetin-cadmium complexes were determined by DPPH and ABTS assays. Copyright © 2013 Elsevier Ltd. All rights reserved.

Stability of Nonlinear Systems with Unknown Time-varying Feedback Delay

NASA Astrophysics Data System (ADS)

Chunodkar, Apurva A.; Akella, Maruthi R.

2013-12-01

This paper considers the problem of stabilizing a class of nonlinear systems with unknown bounded delayed feedback wherein the time-varying delay is 1) piecewise constant 2) continuous with a bounded rate. We also consider application of these results to the stabilization of rigid-body attitude dynamics. In the first case, the time-delay in feedback is modeled specifically as a switch among an arbitrarily large set of unknown constant values with a known strict upper bound. The feedback is a linear function of the delayed states. In the case of linear systems with switched delay feedback, a new sufficiency condition for average dwell time result is presented using a complete type Lyapunov-Krasovskii (L-K) functional approach. Further, the corresponding switched system with nonlinear perturbations is proven to be exponentially stable inside a well characterized region of attraction for an appropriately chosen average dwell time. In the second case, the concept of the complete type L-K functional is extended to a class of nonlinear time-delay systems with unknown time-varying time-delay. This extension ensures stability robustness to time-delay in the control design for all values of time-delay less than the known upper bound. Model-transformation is used in order to partition the nonlinear system into a nominal linear part that is exponentially stable with a bounded perturbation. We obtain sufficient conditions which ensure exponential stability inside a region of attraction estimate. A constructive method to evaluate the sufficient conditions is presented together with comparison with the corresponding constant and piecewise constant delay. Numerical simulations are performed to illustrate the theoretical results of this paper.

A glycolytic metabolon in Saccharomyces cerevisiae is stabilized by F-actin.

PubMed

Araiza-Olivera, Daniela; Chiquete-Felix, Natalia; Rosas-Lemus, Mónica; Sampedro, José G; Peña, Antonio; Mujica, Adela; Uribe-Carvajal, Salvador

2013-08-01

In the Saccharomyces cerevisiae glycolytic pathway, 11 enzymes catalyze the stepwise conversion of glucose to two molecules of ethanol plus two CO₂ molecules. In the highly crowded cytoplasm, this pathway would be very inefficient if it were dependent on substrate/enzyme diffusion. Therefore, the existence of a multi-enzymatic glycolytic complex has been suggested. This complex probably uses the cytoskeleton to stabilize the interaction of the various enzymes. Here, the role of filamentous actin (F-actin) in stabilization of a putative glycolytic metabolon is reported. Experiments were performed in isolated enzyme/actin mixtures, cytoplasmic extracts and permeabilized yeast cells. Polymerization of actin was promoted using phalloidin or inhibited using cytochalasin D or latrunculin. The polymeric filamentous F-actin, but not the monomeric globular G-actin, stabilized both the interaction of isolated glycolytic pathway enzyme mixtures and the whole fermentation pathway, leading to higher fermentation activity. The associated complexes were resistant against inhibition as a result of viscosity (promoted by the disaccharide trehalose) or inactivation (using specific enzyme antibodies). In S. cerevisiae, a glycolytic metabolon appear to assemble in association with F-actin. In this complex, fermentation activity is enhanced and enzymes are partially protected against inhibition by trehalose or by antibodies. © 2013 FEBS.

Labview virtual instruments for calcium buffer calculations.

PubMed

Reitz, Frederick B; Pollack, Gerald H

2003-01-01

Labview VIs based upon the calculator programs of Fabiato and Fabiato (J. Physiol. Paris 75 (1979) 463) are presented. The VIs comprise the necessary computations for the accurate preparation of multiple-metal buffers, for the back-calculation of buffer composition given known free metal concentrations and stability constants used, for the determination of free concentrations from a given buffer composition, and for the determination of apparent stability constants from absolute constants. As implemented, the VIs can concurrently account for up to three divalent metals, two monovalent metals and four ligands thereof, and the modular design of the VIs facilitates further extension of their capacity. As Labview VIs are inherently graphical, these VIs may serve as useful templates for those wishing to adapt this software to other platforms.

Side slope stability of articulated-frame logging tractors

Treesearch

H.G. Gibson; K.C. Elliott; S.P.E. Persson

1971-01-01

Many log or pulpwood transporting machines have hinged or articulated frames for steering. The articulated frame offers advantages for these machines, but the design introduces some problems in stability. We formulated and analyzed a mathematical model simulating stability of a 4-wheel-drive, articulated frame logging tractor (wheeled skidder) at static or low constant...

A phosphatase threshold sets the level of Cdk1 activity in early mitosis in budding yeast

PubMed Central

Harvey, Stacy L.; Enciso, Germán; Dephoure, Noah; Gygi, Steven P.; Gunawardena, Jeremy; Kellogg, Douglas R.

2011-01-01

Entry into mitosis is initiated by synthesis of cyclins, which bind and activate cyclin-dependent kinase 1 (Cdk1). Cyclin synthesis is gradual, yet activation of Cdk1 occurs in a stepwise manner: a low level of Cdk1 activity is initially generated that triggers early mitotic events, which is followed by full activation of Cdk1. Little is known about how stepwise activation of Cdk1 is achieved. A key regulator of Cdk1 is the Wee1 kinase, which phosphorylates and inhibits Cdk1. Wee1 and Cdk1 show mutual regulation: Cdk1 phosphorylates Wee1, which activates Wee1 to inhibit Cdk1. Further phosphorylation events inactivate Wee1. We discovered that a specific form of protein phosphatase 2A (PP2ACdc55) opposes the initial phosphorylation of Wee1 by Cdk1. In vivo analysis, in vitro reconstitution, and mathematical modeling suggest that PP2ACdc55 sets a threshold that limits activation of Wee1, thereby allowing a low constant level of Cdk1 activity to escape Wee1 inhibition in early mitosis. These results define a new role for PP2ACdc55 and reveal a systems-level mechanism by which dynamically opposed kinase and phosphatase activities can modulate signal strength. PMID:21849476

Confined compression and torsion experiments on a pHEMA gel in various bath concentrations.

PubMed

Roos, Reinder W; Petterson, Rob; Huyghe, Jacques M

2013-06-01

The constitutive behaviour of cartilaginous tissue is the result of complex interaction between electrical, chemical and mechanical forces. Electrostatic interactions between fixed charges and mobile ions are usually accounted for by means of Donnan osmotic pressure. Recent experimental data show, however, that the shear modulus of articular cartilage depends on ionic concentration even if the strain is kept constant. Poisson-Boltzmann simulations suggest that this dependence is intrinsic to the double-layer around the proteoglycan chains. In order to verify this premise, this study measures whether--at a given strain--this ionic concentration-dependent shear modulus is present in a polymerized hydroxy-ethyl-methacrylate gel or not. A combined 1D confined compression and torque experiment is performed on a thin cylindrical hydrogel sample, which is brought in equilibrium with, respectively, 1, 0.1 and 0.03 M NaCl. The sample was placed in a chamber that consists of a stainless steel ring placed on a sintered glass filter, and on top a sintered glass piston. Stepwise ionic loading was cascaded by stepwise 1D compression, measuring the total stress after equilibration of the sample. In addition, a torque experiment was interweaved by applying a harmonic angular displacement and measuring the torque, revealing the relation between aggregate shear modulus and salt concentration at a given strain.

Sulfide response analysis for sulfide control using a pS electrode in sulfate reducing bioreactors.

PubMed

Villa-Gomez, D K; Cassidy, J; Keesman, K J; Sampaio, R; Lens, P N L

2014-03-01

Step changes in the organic loading rate (OLR) through variations in the influent chemical oxygen demand (CODin) concentration or in the hydraulic retention time (HRT) at constant COD/SO4(2-) ratio (0.67) were applied to create sulfide responses for the design of a sulfide control in sulfate reducing bioreactors. The sulfide was measured using a sulfide ion selective electrode (pS) and the values obtained were used to calculate proportional-integral-derivative (PID) controller parameters. The experiments were performed in an inverse fluidized bed bioreactor with automated operation using the LabVIEW software version 2009(®). A rapid response and high sulfide increment was obtained through a stepwise increase in the CODin concentration, while a stepwise decrease to the HRT exhibited a slower response with smaller sulfide increment. Irrespective of the way the OLR was decreased, the pS response showed a time-varying behavior due to sulfide accumulation (HRT change) or utilization of substrate sources that were not accounted for (CODin change). The pS electrode response, however, showed to be informative for applications in sulfate reducing bioreactors. Nevertheless, the recorded pS values need to be corrected for pH variations and high sulfide concentrations (>200 mg/L). Copyright © 2013 Elsevier Ltd. All rights reserved.

Liquid-assisted grinding and ion pairing regulates percentage conversion and diastereoselectivity of the Wittig reaction under mechanochemical conditions.

PubMed

Denlinger, Kendra Leahy; Ortiz-Trankina, Lianna; Carr, Preston; Benson, Kingsley; Waddell, Daniel C; Mack, James

2018-01-01

Mechanochemistry is maturing as a discipline and continuing to grow, so it is important to continue understanding the rules governing the system. In a mechanochemical reaction, the reactants are added into a vessel along with one or more grinding balls and the vessel is shaken at high speeds to facilitate a chemical reaction. The dielectric constant of the solvent used in liquid-assisted grinding (LAG) and properly chosen counter-ion pairing increases the percentage conversion of stilbenes in a mechanochemical Wittig reaction. Utilizing stepwise addition/evaporation of ethanol in liquid-assisted grinding also allows for the tuning of the diastereoselectivity in the Wittig reaction.

In-line metrology for roll-to-roll UV assisted nanoimprint lithography using diffractometry

NASA Astrophysics Data System (ADS)

Kreuzer, Martin; Whitworth, Guy L.; Francone, Achille; Gomis-Bresco, Jordi; Kehagias, Nikolaos; Sotomayor-Torres, Clivia M.

2018-05-01

We describe and discuss the optical design of a diffractometer to carry out in-line quality control during roll-to-roll nanoimprinting. The tool measures diffractograms in reflection geometry, through an aspheric lens to gain fast, non-invasive information of any changes to the critical dimensions of target grating structures. A stepwise tapered linear grating with constant period was fabricated in order to detect the variation in grating linewidth through diffractometry. The minimum feature change detected was ˜40 nm to a precision of 10 nm. The diffractometer was then integrated with a roll-to-roll UV assisted nanoimprint lithography machine to gain dynamic measurements in situ.

A compact codimension-two braneworld with precisely one brane

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

Akerblom, Nikolas; Cornelissen, Gunther; Department of Mathematics, Utrecht University

Building on earlier work on football-shaped extra dimensions, we construct a compact codimension-two braneworld with precisely one brane. The two extra dimensions topologically represent a 2-torus which is stabilized by a bulk cosmological constant and magnetic flux. The torus has positive constant curvature almost everywhere, except for a single conical singularity at the location of the brane. In contradistinction to the football-shaped case, there is no fine-tuning required for the brane tension. We also present some plausibility arguments why the model should not suffer from serious stability issues.

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Effect of ascorbic acid on the stability of beta-carotene and capsanthin in paprika (Capsicum annuum) powder.

PubMed

Morais, H; Rodrigues, P; Ramos, C; Forgács, E; Cserháti, T; Oliveira, J

2002-10-01

The effect of ascorbic acid, light, and storage on the stability of the pigments beta-carotene and capsanthin in red pepper (Capsicum annuum) powder has been elucidated by determining the amount of pigment in samples treated by various concentrations of ascorbic acid. Determination of pigment concentration has been performed after different storage times using high-performance liquid chromatography. The dependence of the concentration of pigments on the concentration of ascorbic acid, presence of light and the storage time has been assessed by stepwise regression analysis. The concentration of pigments decreased at longer storage time and increased at higher concentration of ascorbic acid, beta-carotene being more sensitive towards storage time and concentration of ascorbic acid than capsanthin. Interaction between the effects of light and storage time, and light and concentration of ascorbic acid has been established.

Factors influencing the QMF resolution for operation in stability zones 1 and 3.

PubMed

Syed, Sarfaraz U A H; Hogan, Thomas; Gibson, John; Taylor, Stephen

2012-05-01

This study uses a computer model to simulate a quadrupole mass filter (QMF) instrument under different operating conditions for Mathieu stability zones 1 and 3. The investigation considers the factors that limit the maximum resolution (R(max)), which can be obtained for a given QMF for a particular value of scan line. Previously, QMF resolution (R) has been found to be dependent on number (N) of radio frequency (rf) cycles experienced by the ions in the mass filter, according to R = N(n)/K, where n and K are the constants. However, this expression does not predict the limit to QMF resolution observed in practice and is true only for the linear regions of the performance curve for QMF operation in zone 1 and zone 3 of the stability diagram. Here we model the saturated regions of the performance curve for QMF operation in zone 1 according to R = q(1 - 2c(N))/∆q, where c is a constant and ∆q is the width of the intersection of the operating scan line with the stability zone 1, measured at q-axis of the Mathieu stability diagram. Also by careful calculations of the detail of the stability tip of zone 1, the following relationship was established between R(max) and percentage U/V ratio: R(max) = q/(0.9330-0.00933U/V). For QMF operation in zone 3 the expression R = a - bc(N) simulates well the linear and saturated regions of the performance curve for a range of operational conditions, where a, b, and c are constants.

Stepwise pumping approach to improve free phase light hydrocarbon recovery from unconfined aquifers

NASA Astrophysics Data System (ADS)

Cooper, Grant S.; Peralta, Richard C.; Kaluarachchi, Jagath J.

1995-04-01

A stepwise, time-varying pumping approach is developed to improve free phase oil recovery of light non-aqueous phase liquids (LNAPL) from a homogeneous, unconfined aquifer. Stepwise pumping is used to contain the floating oil plume and obtain efficient free oil recovery. The graphical plots. The approach uses ARMOS ©, an areal two-dimensional multiphase flow, finite-element simulation model. Systematic simulations of free oil area changes to pumping rates are analyzed. Pumping rates are determined that achieve LNAPL plume containment at different times (i.e. 90, 180 and 360 days) for a planning period of 360 days. These pumping rates are used in reverse order as a stepwise (monotonically increasing) pumping strategy. This stepwise pumping strategy is analyzed further by performing additional simulations at different pumping rates for the last pumping period. The final stepwise pumping strategy is varied by factors of -25% and +30% to evaluate sensitivity in the free oil recovery process. Stepwise pumping is compared to steady pumping rates to determine the best free oil recovery strategy. Stepwise pumping is shown to improve oil recovery by increasing recoveredoil volume (11%) and decreasing residual oil (15%) when compared with traditional steady pumping strategies. The best stepwise pumping strategy recovers more free oil by reducing the amount of residual oil left in the system due to pumping drawdown. This stepwise pumping pproach can be used to enhance free oil recovery and provide for cost-effective design and management of LNAPL cleanup.

Amorphous Solid Dispersion of Epigallocatechin Gallate for Enhanced Physical Stability and Controlled Release.

PubMed

Cao, Yizheng; Teng, Jing; Selbo, Jon

2017-11-09

Epigallocatechin gallate (EGCG) has been recognized as the most prominent green tea extract due to its healthy influences. The high instability and low bioavailability, however, strongly limit its utilization in food and drug industries. This work, for the first time, develops amorphous solid dispersion of EGCG to enhance its bioavailability and physical stability. Four commonly used polymeric excipients are found to be compatible with EGCG in water-dioxane mixtures via a stepwise mixing method aided by vigorous mechanical interference. The dispersions are successfully generated by lyophilization. The physical stability of the dispersions is significantly improved compared to pure amorphous EGCG in stress condition (elevated temperature and relative humidity) and simulated gastrointestinal tract environment. From the drug release tests, one of the dispersions, EGCG-Soluplus ® 50:50 ( w / w ) shows a dissolution profile that only 50% EGCG is released in the first 20 min, and the remains are slowly released in 24 h. This sustained release profile may open up new possibilities to increase EGCG bioavailability via extending its elimination time in plasma.

Solid-state thermal behavior and stability studies of theophylline-citric acid cocrystals prepared by neat cogrinding or thermal treatment

NASA Astrophysics Data System (ADS)

Hsu, Po-Chun; Lin, Hong-Liang; Wang, Shun-Li; Lin, Shan-Yang

2012-08-01

To investigate the thermal behavior of cocrystal formed between anhydrous theophylline (TP) and anhydrous citric acid (CA) by neat manual cogrinding or thermal treatment, DSC and FTIR microspectroscopy with curve-fitting analysis were applied. The physical mixture and 60-min ground mixture were stored at 55±0.5 °C/40±2% RH condition to determine their stability behavior. Typical TP-CA cocrystals were prepared by slow solvent evaporation method. Results indicate that the cogrinding process could gradually induce the cocrystal formation between TP and CA. The IR spectral peak shift from 3495 to 3512 cm-1 and the stepwise appearance of several new IR peaks at 1731, 1712, 1676, 1651, 1557 and 1265 cm-1 with cogrinding time suggest that the mechanism of TP-CA cocrystal formation was evidenced by interacting TP with CA through the intermolecular O-H···O hydrogen bonding. The stability of 60-min ground mixture of TP-CA was confirmed at 55±0.5 °C/40±2% RH condition over a storage time of 60 days.

Energy absorption as a predictor of leg impedance in highly trained females.

PubMed

Kulas, Anthony S; Schmitz, Randy J; Schultz, Sandra J; Watson, Mary Allen; Perrin, David H

2006-08-01

Although leg spring stiffness represents active muscular recruitment of the lower extremity during dynamic tasks such as hopping and running, the joint-specific characteristics comprising the damping portion of this measure, leg impedance, are uncertain. The purpose of this investigation was to assess the relationship between leg impedance and energy absorption at the ankle, knee, and hip during early (impact) and late (stabilization) phases of landing. Twenty highly trained female dancers (age = 20.3 +/- 1.4 years, height = 163.7 +/- 6.0 cm, mass = 62.1 +/- 8.1 kg) were instrumented for biomechanical analysis. Subjects performed three sets of double-leg landings from under preferred, stiff, and soft landing conditions. A stepwise linear regression analysis revealed that ankle and knee energy absorption at impact, and knee and hip energy absorption during the stabilization phases of landing explained 75.5% of the variance in leg impedance. The primary predictor of leg impedance was knee energy absorption during the stabilization phase, independently accounting for 55% of the variance. Future validation studies applying this regression model to other groups of individuals are warranted.

Amorphous Solid Dispersion of Epigallocatechin Gallate for Enhanced Physical Stability and Controlled Release

PubMed Central

Cao, Yizheng; Teng, Jing; Selbo, Jon

2017-01-01

Epigallocatechin gallate (EGCG) has been recognized as the most prominent green tea extract due to its healthy influences. The high instability and low bioavailability, however, strongly limit its utilization in food and drug industries. This work, for the first time, develops amorphous solid dispersion of EGCG to enhance its bioavailability and physical stability. Four commonly used polymeric excipients are found to be compatible with EGCG in water-dioxane mixtures via a stepwise mixing method aided by vigorous mechanical interference. The dispersions are successfully generated by lyophilization. The physical stability of the dispersions is significantly improved compared to pure amorphous EGCG in stress condition (elevated temperature and relative humidity) and simulated gastrointestinal tract environment. From the drug release tests, one of the dispersions, EGCG-Soluplus® 50:50 (w/w) shows a dissolution profile that only 50% EGCG is released in the first 20 min, and the remains are slowly released in 24 h. This sustained release profile may open up new possibilities to increase EGCG bioavailability via extending its elimination time in plasma. PMID:29120370

[Effects of soil properties on the stabilization process of cadmium in Cd alone and Cd-Pb contaminated soils].

PubMed

Wu, Man; Xu, Ming-Gang; Zhang, Wen-Ju; Wu, Hai-Wen

2012-07-01

In order to clarify the effects of soil properties on the stabilization process of the cadmium (Cd) added, 11 different soils were collected and incubated under a moisture content of 65%-70% at 25 degrees C. The changes of available Cd contents with incubation time (in 360 days) in Cd and Cd-Pb contaminated treatments were determined. The stabilization process was simulated using dynamic equations. The results showed that after 1.0 mg x kg(-1) Cd or 500 mg x kg(-1) Pb + 1.0 mg x kg(-1) Cd were added into the soil, the available Cd content decreased rapidly during the first 15 days, and then the decreasing rate slowed down, with an equilibrium content reached after 60 days' incubation. In Cd-Pb contaminated soils, the presence of Pb increased the content of available Cd. The stabilization process of Cd could be well described by the second-order equation and the first order exponential decay; meanwhile, dynamic parameters including equilibrium content and stabilization velocity were used to characterize the stabilization process of Cd. These two key dynamic parameters were significantly affected by soil properties. Correlation analysis and stepwise regression suggested that high pH and high cation exchange capacity (CEC) significantly retarded the availability of Cd. High pH had the paramount effect on the equilibrium content. The stabilization velocity of Cd was influenced by the soil texture. It took shorter time for Cd to get stabilized in sandy soil than in the clay.

Complexation of lanthanides and actinides by acetohydroxamic acid

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

Taylor, R.J.; Sinkov, S.I.; Choppin, G.R.

2008-07-01

Acetohydroxamic acid (AHA) has been proposed as a suitable reagent for the complexant-based, as opposed to reductive, stripping of plutonium and neptunium ions from the tributylphosphate solvent phase in advanced PUREX or UREX processes designed for future nuclear-fuel reprocessing. Stripping is achieved by the formation of strong hydrophilic complexes with the tetravalent actinides in nitric acid solutions. To underpin such applications, knowledge of the complexation constants of AHA with all relevant actinide (5f) and lanthanide (4f) ions is therefore important. This paper reports the determination of stability constants of AHA with the heavier lanthanide ions (Dy-Yb) and also U(IV) andmore » Th(IV) ions. Comparisons with our previously published AHA stability-constant data for 4f and 5f ions are made. (authors)« less

Development of a hardware-based AC microgrid for AC stability assessment

NASA Astrophysics Data System (ADS)

Swanson, Robert R.

As more power electronic-based devices enable the development of high-bandwidth AC microgrids, the topic of microgrid power distribution stability has become of increased interest. Recently, researchers have proposed a relatively straightforward method to assess the stability of AC systems based upon the time-constants of sources, the net bus capacitance, and the rate limits of sources. In this research, a focus has been to develop a hardware test system to evaluate AC system stability. As a first step, a time domain model of a two converter microgrid was established in which a three phase inverter acts as a power source and an active rectifier serves as an adjustable constant power AC load. The constant power load can be utilized to create rapid power flow transients to the generating system. As a second step, the inverter and active rectifier were designed using a Smart Power Module IGBT for switching and an embedded microcontroller as a processor for algorithm implementation. The inverter and active rectifier were designed to operate simultaneously using a synchronization signal to ensure each respective local controller operates in a common reference frame. Finally, the physical system was created and initial testing performed to validate the hardware functionality as a variable amplitude and variable frequency AC system.

Thermal-inertial ratchet effects: negative mobility, resonant activation, noise-enhanced stability, and noise-weakened stability.

PubMed

Li, Jing-hui; Łuczka, Jerzy

2010-10-01

Transport properties of a Brownian particle in thermal-inertial ratchets subject to an external time-oscillatory drive and a constant bias force are investigated. Since the phenomena of negative mobility, resonant activation and noise-enhance stability were reported before, in the present paper, we report some additional aspects of negative mobility, resonant activation and noise-enhance stability, such as the ingredients for the appearances of these phenomena, multiple resonant activation peaks, current reversals, noise-weakened stability, and so on.

Baastrup's Disease Is Associated with Recurrent of Sciatica after Posterior Lumbar Spinal Decompressions Utilizing Floating Spinous Process Procedures

PubMed Central

Mannoji, Chikato; Murakami, Masazumi; Kinoshita, Tomoaki; Hirayama, Jiro; Miyashita, Tomohiro; Eguchi, Yawara; Yamazaki, Masashi; Suzuki, Takane; Aramomi, Masaaki; Ota, Mitsutoshi; Maki, Satoshi; Takahashi, Kazuhisa; Furuya, Takeo

2016-01-01

Study Design Retrospective case-control study. Purpose To determine whether kissing spine is a risk factor for recurrence of sciatica after lumbar posterior decompression using a spinous process floating approach. Overview of Literature Kissing spine is defined by apposition and sclerotic change of the facing spinous processes as shown in X-ray images, and is often accompanied by marked disc degeneration and decrement of disc height. If kissing spine significantly contributes to weight bearing and the stability of the lumbar spine, trauma to the spinous process might induce a breakdown of lumbar spine stability after posterior decompression surgery in cases of kissing spine. Methods The present study included 161 patients who had undergone posterior decompression surgery for lumbar canal stenosis using a spinous process floating approaches. We defined recurrence of sciatica as that resolved after initial surgery and then recurred. Kissing spine was defined as sclerotic change and the apposition of the spinous process in a plain radiogram. Preoperative foraminal stenosis was determined by the decrease of perineural fat intensity detected by parasagittal T1-weighted magnetic resonance imaging. Preoperative percentage slip, segmental range of motion, and segmental scoliosis were analyzed in preoperative radiographs. Univariate analysis followed by stepwise logistic regression analysis determined factors independently associated with recurrence of sciatica. Results Stepwise logistic regression revealed kissing spine (p=0.024; odds ratio, 3.80) and foraminal stenosis (p<0.01; odds ratio, 17.89) as independent risk factors for the recurrence of sciatica after posterior lumbar spinal decompression with spinous process floating procedures for lumbar spinal canal stenosis. Conclusions When a patient shows kissing spine and concomitant subclinical foraminal stenosis at the affected level, we should sufficiently discuss the selection of an appropriate surgical procedure. PMID:27994785

Baastrup's Disease Is Associated with Recurrent of Sciatica after Posterior Lumbar Spinal Decompressions Utilizing Floating Spinous Process Procedures.

PubMed

Koda, Masao; Mannoji, Chikato; Murakami, Masazumi; Kinoshita, Tomoaki; Hirayama, Jiro; Miyashita, Tomohiro; Eguchi, Yawara; Yamazaki, Masashi; Suzuki, Takane; Aramomi, Masaaki; Ota, Mitsutoshi; Maki, Satoshi; Takahashi, Kazuhisa; Furuya, Takeo

2016-12-01

Retrospective case-control study. To determine whether kissing spine is a risk factor for recurrence of sciatica after lumbar posterior decompression using a spinous process floating approach. Kissing spine is defined by apposition and sclerotic change of the facing spinous processes as shown in X-ray images, and is often accompanied by marked disc degeneration and decrement of disc height. If kissing spine significantly contributes to weight bearing and the stability of the lumbar spine, trauma to the spinous process might induce a breakdown of lumbar spine stability after posterior decompression surgery in cases of kissing spine. The present study included 161 patients who had undergone posterior decompression surgery for lumbar canal stenosis using a spinous process floating approaches. We defined recurrence of sciatica as that resolved after initial surgery and then recurred. Kissing spine was defined as sclerotic change and the apposition of the spinous process in a plain radiogram. Preoperative foraminal stenosis was determined by the decrease of perineural fat intensity detected by parasagittal T1-weighted magnetic resonance imaging. Preoperative percentage slip, segmental range of motion, and segmental scoliosis were analyzed in preoperative radiographs. Univariate analysis followed by stepwise logistic regression analysis determined factors independently associated with recurrence of sciatica. Stepwise logistic regression revealed kissing spine ( p =0.024; odds ratio, 3.80) and foraminal stenosis ( p <0.01; odds ratio, 17.89) as independent risk factors for the recurrence of sciatica after posterior lumbar spinal decompression with spinous process floating procedures for lumbar spinal canal stenosis. When a patient shows kissing spine and concomitant subclinical foraminal stenosis at the affected level, we should sufficiently discuss the selection of an appropriate surgical procedure.

Inverse Thio Effects in the Hepatitis Delta Virus Ribozyme Reveal that the Reaction Pathway Is Controlled by Metal Ion Charge Density

PubMed Central

2015-01-01

The hepatitis delta virus (HDV) ribozyme self-cleaves in the presence of a wide range of monovalent and divalent ions. Prior theoretical studies provided evidence that self-cleavage proceeds via a concerted or stepwise pathway, with the outcome dictated by the valency of the metal ion. In the present study, we measure stereospecific thio effects at the nonbridging oxygens of the scissile phosphate under a wide range of experimental conditions, including varying concentrations of diverse monovalent and divalent ions, and combine these with quantum mechanical/molecular mechanical (QM/MM) free energy simulations on the stereospecific thio substrates. The RP substrate gives large normal thio effects in the presence of all monovalent ions. The SP substrate also gives normal or no thio effects, but only for smaller monovalent and divalent cations, such as Li+, Mg2+, Ca2+, and Sr2+; in contrast, sizable inverse thio effects are found for larger monovalent and divalent cations, including Na+, K+, NH4+, and Ba2+. Proton inventories are found to be unity in the presence of the larger monovalent and divalent ions, but two in the presence of Mg2+. Additionally, rate–pH profiles are inverted for the low charge density ions, and only imidazole plus ammonium ions rescue an inactive C75Δ variant in the absence of Mg2+. Results from the thio effect experiments, rate–pH profiles, proton inventories, and ammonium/imidazole rescue experiments, combined with QM/MM free energy simulations, support a change in the mechanism of HDV ribozyme self-cleavage from concerted and metal ion-stabilized to stepwise and proton transfer-stabilized as the charge density of the metal ion decreases. PMID:25799319

The effect of elevated methane pressure on methane hydrate dissociation

USGS Publications Warehouse

Circone, S.; Stern, L.A.; Kirby, S.H.

2004-01-01

Methane hydrate, equilibrated at P, T conditions within the hydrate stability field, was rapidly depressurized to 1.0 or 2.0 MPa and maintained at isobaric conditions outside its stability field, while the extent and rate of hydrate dissociation was measured at fixed, externally maintained temperatures between 250 and 288 K. The dissociation rate decreases with increasing pressure at a given temperature. Dissociation rates at 1.0 MPa parallel the complex, reproducible T-dependence previously observed between 250 and 272 K at 0.1 MPa. The lowest rates were observed near 268 K, such that >50% of the sample can persist for more than two weeks at 0.1 MPa to more than a month at 1 and 2 MPa. Varying the pressure stepwise in a single experiment increased or decreased the dissociation rate in proportion to the rates observed in the isobaric experiments, similar to the rate reversibility previously observed with stepwise changes in temperature at 0.1 MPa. At fixed P, T conditions, the rate of methane hydrate dissociation decreases monotonically with time, never achieving a steady rate. The relationship between time (t) and the extent of hydrate dissociation is empirically described by: Evolved gas (%) = A??tB where the pre-exponential term A ranges from 0 to 16% s-B and the exponent B is generally <1. Based on fits of the dissociation results to Equation 1 for the full range of temperatures (204 to 289 K) and pressures (0.1 to 2.0 MPa) investigated, the derived parameters can be used to predict the methane evolution curves for pure, porous methane hydrate to within ??5%. The effects of sample porosity and the presence of quartz sand and seawater on methane hydrate dissociation are also described using Equation 1.

A flexible insulator of a hollow SiO2 sphere and polyimide hybrid for flexible OLEDs.

PubMed

Kim, Min Kyu; Kim, Dong Won; Shin, Dong Wook; Seo, Sang Joon; Chung, Ho Kyoon; Yoo, Ji Beom

2015-01-28

The fabrication of interlayer dielectrics (ILDs) in flexible organic light-emitting diodes (OLEDs) not only requires flexible materials with a low dielectric constant, but also ones that possess the electrical, thermal, chemical, and mechanical properties required for optimal device performance. Porous polymer-silica hybrid materials were prepared to satisfy these requirements. Hollow SiO2 spheres were synthesized using atomic layer deposition (ALD) and a thermal calcination process. The hybrid film, which consists of hollow SiO2 spheres and polyimide, shows a low dielectric constant of 1.98 and excellent thermal stability up to 500 °C. After the bending test for 50 000 cycles, the porous hybrid film exhibits no degradation in its dielectric constant or leakage current. These results indicate that the hybrid film made up of hollow SiO2 spheres and polyimide (PI) is useful as a flexible insulator with a low dielectric constant and high thermal stability for flexible OLEDs.

Mittag-Leffler stability of fractional-order neural networks in the presence of generalized piecewise constant arguments.

PubMed

Wu, Ailong; Liu, Ling; Huang, Tingwen; Zeng, Zhigang

2017-01-01

Neurodynamic system is an emerging research field. To understand the essential motivational representations of neural activity, neurodynamics is an important question in cognitive system research. This paper is to investigate Mittag-Leffler stability of a class of fractional-order neural networks in the presence of generalized piecewise constant arguments. To identify neural types of computational principles in mathematical and computational analysis, the existence and uniqueness of the solution of neurodynamic system is the first prerequisite. We prove that the existence and uniqueness of the solution of the network holds when some conditions are satisfied. In addition, self-active neurodynamic system demands stable internal dynamical states (equilibria). The main emphasis will be then on several sufficient conditions to guarantee a unique equilibrium point. Furthermore, to provide deeper explanations of neurodynamic process, Mittag-Leffler stability is studied in detail. The established results are based on the theories of fractional differential equation and differential equation with generalized piecewise constant arguments. The derived criteria improve and extend the existing related results. Copyright © 2016 Elsevier Ltd. All rights reserved.

Spectrophotometric evaluation of stability constants of 1:1 weak complexes from continuous variation data.

PubMed

Sayago, Ana; Asuero, Agustin G

2006-09-14

A bilogarithmic hyperbolic cosine method for the spectrophotometric evaluation of stability constants of 1:1 weak complexes from continuous variation data has been devised and applied to literature data. A weighting scheme, however, is necessary in order to take into account the transformation for linearization. The method may be considered a useful alternative to methods in which one variable is involved on both sides of the basic equation (i.e. Heller and Schwarzenbach, Likussar and Adsul and Ramanathan). Classical least squares lead in those instances to biased and approximate stability constants and limiting absorbance values. The advantages of the proposed method are: the method gives a clear indication of the existence of only one complex in solution, it is flexible enough to allow for weighting of measurements and the computation procedure yield the best value of logbeta11 and its limit of error. The agreement between the values obtained by applying the weighted hyperbolic cosine method and the non-linear regression (NLR) method is good, being in both cases the mean quadratic error at a minimum.

Complexation of Arsenite with Humic Acid in the Presence of Ferric Iron

PubMed Central

Liu, Guangliang; Fernandez, Aymara; Cai, Yong

2011-01-01

In the presence of iron (Fe), dissolved organic matter (DOM) may bind considerable amounts of arsenic (As), through formation of Fe-bridged As-Fe-DOM complexes and surface complexation of As on DOM-stabilized Fe-colloids (collectively referred to as As-Fe-DOM complexation). However, direct (e.g., chromatographic and spectroscopic) evidence and fundamental kinetic and stability constants have been rarely reported for this As-Fe-DOM complexation. Using a size exclusion chromatography (SEC)-UV-inductively coupled plasma mass spectrometry (ICP-MS) technique, arsenite (AsIII)-Fe-DOM complexation was investigated after adding AsIII into the priorly prepared Fe-DOM. A series of evidence, including coelution of As, Fe, and DOM from the SEC column and coretention of As, Fe, and DOM by 3 kDa MWCO centrifugal filtration membrane, demonstrated the occurrence of AsIII-Fe-DOM complexation. The kinetic data of AsIII-Fe-DOM complexation were well described by a pseudo-first order rate equation (R2 = 0.95), with the rate constant (k′) being 0.17±0.04 1/h. Stability of AsIII-Fe-DOM complexation was characterized by apparent stability constant (Ks) derived from two-site ligand binding model, with log Ks ranging from 4.4±0.2 to 5.6±0.4. Considering the kinetics (within hours) and stability (similar to typical metal-humates) of AsIII-Fe-DOM complexation, this complexation needs to be included when evaluating As mobility in Fe and DOM rich environments. PMID:21322632

Effects of the central potassium ions on the G-quadruplex and stabilizer binding.

PubMed

Wang, Zhiguo; Liu, Jun-Ping

2017-03-01

Human telomeres undertake the structure of intra-molecular parallel G-quadruplex in the presence of K + in eukaryotic cell. Stabilization of the telomere G-quadruplex represents a potential strategy to prevent telomere lengthening by telomerase in cancer therapy. Current work demonstrates that the binding of central K + with the parallel G-quadruplex is a coordinated water directed step-wise process. The K + above the top G-tetrad is prone to leak into environment and the 5'-adenine quickly flips over the top G-tetrad, leading to the bottom gate of G-tetrads as the only viable pathway of K + binding. Present molecular dynamics studies on the two most potent stabilizers RHPS4 and BRACO-19 reveal that the central K + has little influence on the binding conformations of the bound stabilizers. But without the central K + , either RHPS4 or BRACO-19 cannot stabilize the structure of G-quadruplex. The binding strength of stabilizers evaluated by the MM-PBSA method follows the order of BRACO-19> RHPS4, which agrees with the experimental results. The difference in binding affinities between RHPS4 and BRACO-19 is probably related to the ability to form intramolecular hydrogen bonds and favorable van del Waals interactions with G-quadruplex. In the models that have one central K + located at the upper/lower binding site, the corresponding top/bottom stacked stabilizers show more favorable binding affinities, indicating the apparent promoting effect of central K + on the stabilizer binding. Our findings provide further insights into the regulatory effect of K + on the G-quadruplex targeted binding, which is meaningful to the development of G-quadruplex stabilizers. Copyright © 2017 Elsevier Inc. All rights reserved.

Affinity capillary electrophoresis and density functional theory study of noncovalent interactions of cyclic peptide [Gly6 ]-antamanide with small cations.

PubMed

Pangavhane, Sachin; Böhm, Stanislav; Makrlík, Emanuel; Ruzza, Paolo; Kašička, Václav

2017-08-01

ACE and density functional theory were employed to study the noncovalent interactions of cyclic decapeptide glycine-6-antamanide ([Gly 6 ]AA), synthetic derivative of native antamanide (AA) peptide from the deadly poisonous fungus Amanita phalloides, with small cations (Li + , Rb + , Cs + , NH 4 + , and Ca 2+ ) in methanol. The strength of these interactions was quantified by the apparent stability constants of the appropriate complexes determined by ACE. The stability constants were calculated using the nonlinear regression analysis of the dependence of the effective electrophoretic mobility of [Gly 6 ]AA on the concentration of the above ions in the BGE (methanolic solution of 20 mM chloroacetic acid, 10 mM Tris, pH MeOH 7.8, containing 0-70 mM concentrations of the above ions added in the form of chlorides). Prior to stability constant calculation, the effective mobilities measured at actual temperature inside the capillary and at variable ionic strength of the BGEs were corrected to the values corresponding to the reference temperature of 25°C and to the constant ionic strength of 10 mM. From the above ions, Rb + and Cs + cations interacted weakly with [Gly 6 ]AA but no interactions of [Gly 6 ]AA with univalent Li + and NH 4 + ions and divalent Ca 2+ ion were observed. The apparent stability constants of [Gly 6 ]AA-Rb + and [Gly 6 ]AA-Cs + complexes were found to be equal to 13 ± 4 and 22 ± 3 L/mol, respectively. The structural characteristics of these complexes, such as position of the Rb + and Cs + ions in the cavity of the [Gly 6 ]AA molecule and the interatomic distances within these complexes, were obtained by the density functional theory calculations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

ELECTRICAL CIRCUITS USING COLD-CATHODE TRIODE VALVES

DOEpatents

Goulding, F.S.

1957-11-26

An electrical circuit which may be utilized as a pulse generator or voltage stabilizer is presented. The circuit employs a cold-cathode triode valve arranged to oscillate between its on and off stages by the use of selected resistance-capacitance time constant components in the plate and trigger grid circuits. The magnitude of the d-c voltage applied to the trigger grid circuit effectively controls the repetition rate of the output pulses. In the voltage stabilizer arrangement the d-c control voltage is a portion of the supply voltage and the rectified output voltage is substantially constant.

An embedded mesh method using piecewise constant multipliers with stabilization: mathematical and numerical aspects

DOE PAGES

Puso, M. A.; Kokko, E.; Settgast, R.; ...

2014-10-22

An embedded mesh method using piecewise constant multipliers originally proposed by Puso et al. (CMAME, 2012) is analyzed here to determine effects of the pressure stabilization term and small cut cells. The approach is implemented for transient dynamics using the central difference scheme for the time discretization. It is shown that the resulting equations of motion are a stable linear system with a condition number independent of mesh size. Furthermore, we show that the constraints and the stabilization terms can be recast as non-proportional damping such that the time integration of the scheme is provably stable with a critical timemore » step computed from the undamped equations of motion. Effects of small cuts are discussed throughout the presentation. A mesh study is conducted to evaluate the effects of the stabilization on the discretization error and conditioning and is used to recommend an optimal value for stabilization scaling parameter. Several nonlinear problems are also analyzed and compared with comparable conforming mesh results. Finally, we show several demanding problems highlighting the robustness of the proposed approach.« less

A Project Assessment of Stabilizing System of WT Generation using Rechargeable Battery

NASA Astrophysics Data System (ADS)

Kojima, Yasuhiro; Takano, Tomihiro; Tanikawa, Ryoichi; Takagi, Tetsuro; Hirooka, Koutaro; Kumagai, Sadatoshi

The expansion of the renewable energy introduction is examined as measures for controlling global warming. Wind power generation is expected as effective power resource, but the negative impact from the difficulty of an unstable output is concerned. In recent years, WT generation with contract of cut-of with shorting adjusting power and with rechargeable battery for stabilizing control are examined, but the introduction has not been accelerated yet because there is an influence in WT generation entrepreneur's business. In this paper, we make a brief summary of relation between the fluctuation of wind power generation and stability of electric power operation, and two types of approach; cut-off contract and stabilization using rechargeable battery. For the stabilization using battery, there are two methods, one is reduction control and the other is constant control. We propose a new control method for constant control based on profit optimization considering WT generation forecast and its risk of deviation. We also propose the estimation method for the .limitation of battery installation. Simulation results show the efficiency of our proposed methods.

Absorption and Emission Spectroscopic Investigation of Thermal Dynamics and Photo-Dynamics of the Rhodopsin Domain of the Rhodopsin-Guanylyl Cyclase from the Nematophagous Fungus Catenaria anguillulae

PubMed Central

Penzkofer, Alfons; Scheib, Ulrike; Stehfest, Katja; Hegemann, Peter

2017-01-01

The rhodopsin-guanylyl cyclase from the nematophagous fungus Catenaria anguillulae belongs to a recently discovered class of enzymerhodopsins and may find application as a tool in optogenetics. Here the rhodopsin domain CaRh of the rhodopsin-guanylyl cyclase from Catenaria anguillulae was studied by absorption and emission spectroscopic methods. The absorption cross-section spectrum and excitation wavelength dependent fluorescence quantum distributions of CaRh samples were determined (first absorption band in the green spectral region). The thermal stability of CaRh was studied by long-time attenuation measurements at room temperature (20.5 °C) and refrigerator temperature of 3.5 °C. The apparent melting temperature of CaRh was determined by stepwise sample heating up and cooling down (obtained apparent melting temperature: 62 ± 2 °C). The photocycle dynamics of CaRh was investigated by sample excitation to the first inhomogeneous absorption band of the CaRhda dark-adapted state around 590 nm (long-wavelength tail), 530 nm (central region) and 470 nm (short-wavelength tail) and following the absorption spectra development during exposure and after exposure (time resolution 0.0125 s). The original protonated retinal Schiff base PRSBall-trans in CaRhda photo-converted reversibly to protonated retinal Schiff base PRSBall-trans,la1 with restructured surroundings (CaRhla1 light-adapted state, slightly blue-shifted and broadened first absorption band, recovery to CaRhda with time constant of 0.8 s) and deprotonated retinal Schiff base RSB13-cis (CaRhla2 light-adapted state, first absorption band in violet to near ultraviolet spectral region, recovery to CaRhda with time constant of 0.35 s). Long-time light exposure of light-adapted CaRhla1 around 590, 530 and 470 nm caused low-efficient irreversible degradation to photoproducts CaRhprod. Schemes of the primary photocycle dynamics of CaRhda and the secondary photocycle dynamics of CaRhla1 are developed. PMID:28981475

Thermal Stability of RNA Structures with Bulky Cations in Mixed Aqueous Solutions.

PubMed

Nakano, Shu-Ichi; Tanino, Yuichi; Hirayama, Hidenobu; Sugimoto, Naoki

2016-10-04

Bulky cations are used to develop nucleic-acid-based technologies for medical and technological applications in which nucleic acids function under nonaqueous conditions. In this study, the thermal stability of RNA structures was measured in the presence of various bulky cations in aqueous mixtures with organic solvents or polymer additives. The stability of oligonucleotide, transfer RNA, and polynucleotide structures was decreased in the presence of salts of tetrabutylammonium and tetrapentylammonium ions, and the stability and salt concentration dependences were dependent on cation sizes. The degree to which stability was dependent on salt concentration was correlated with reciprocals of the dielectric constants of mixed solutions, regardless of interactions between the cosolutes and RNA. Our results show that organic solvents affect the strength of electrostatic interactions between RNA and cations. Analysis of ion binding to RNA indicated greater enhancement of cation binding to RNA single strands than to duplexes in media with low dielectric constants. Furthermore, background bulky ions changed the dependence of RNA duplex stability on the concentration of metal ion salts. These unique properties of large tetraalkylammonium ions are useful for controlling the stability of RNA structures and its sensitivity to metal ion salts. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

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

Brihaye, Yves; Delsate, Terence; Kodama, Yuta

We consider a six-dimensional brane world model, where the brane is described by a localized solution to the baby-Skyrme model extending in the extra dimensions. The branes have a cosmological constant modeled by inflating four-dimensional slices, and we further consider a bulk cosmological constant. We construct solutions numerically and present evidence that the solutions cease to exist for large values of the brane cosmological constant in some particular case. Then we study the stability of the model by considering perturbation of the gravitational part (resp. baby Skyrmion) with fixed matter fields (resp. gravitational background). Our results indicate that the perturbationmore » equations do not admit localized solutions for certain type of perturbation. The stability analysis can be alternatively seen as leading to a particle spectrum; we give mass estimations for the baby-Skyrme perturbation and for the graviton.« less

Photostabilization of ascorbic acid with citric acid, tartaric acid and boric acid in cream formulations.

PubMed

Ahmad, I; Ali Sheraz, M; Ahmed, S; Shad, Z; Vaid, F H M

2012-06-01

This study involves the evaluation of the effect of certain stabilizers, that is, citric acid (CT), tartaric acid (TA) and boric acid (BA) on the degradation of ascorbic acid (AH(2) ) in oil-in-water cream formulations exposed to the UV light and stored in the dark. The apparent first-order rate constants (0.34-0.95 × 10(-3) min(-1) in light, 0.38-1.24 × 10(-2) day(-1) in dark) for the degradation reactions in the presence of the stabilizers have been determined. These rate constants have been used to derive the second-order rate constants (0.26-1.45 × 10(-2) M(-1) min(-1) in light, 3.75-8.50 × 10(-3) M(-1) day(-1) in dark) for the interaction of AH(2) and the individual stabilizers. These stabilizers are effective in causing the inhibition of the rate of degradation of AH(2) both in the light and in the dark. The inhibitory effect of the stabilizers is in the order of CT > TA > BA. The rate of degradation of AH(2) in the presence of these stabilizers in the light is about 120 times higher than that in the dark. This could be explained on the basis of the deactivation of AH(2) -excited triplet state by CT and TA and by the inhibition of AH(2) degradation through complex formation with BA. AH(2) leads to the formation of dehydroascorbic acid (A) by chemical and photooxidation in cream formulations. © 2012 The Authors. ICS © 2012 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Zinc complexation in chloride-rich hydrothermal fluids (25-600 °C): A thermodynamic model derived from ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Mei, Yuan; Sherman, David M.; Liu, Weihua; Etschmann, Barbara; Testemale, Denis; Brugger, Joël

2015-02-01

The solubility of zinc minerals in hydrothermal fluids is enhanced by chloride complexation of Zn2+. Thermodynamic models of these complexation reactions are central to models of Zn transport and ore formation. However, existing thermodynamic models, derived from solubility measurements, are inconsistent with spectroscopic measurements of Zn speciation. Here, we used ab initio molecular dynamics simulations (with the PBE exchange-correlation functional) to predict the speciation of Zn-Cl complexes from 25 to 600 °C. We also obtained in situ XAS measurements of Zn-Cl solutions at 30-600 °C. Qualitatively, the simulations reproduced the main features derived from in situ XANES and EXAFS measurements: octahedral to tetrahedral transition with increasing temperature and salinity, stability of ZnCl42- at high chloride concentration up to ⩾500 °C, and increasing stability of the trigonal planar [ZnCl3]- complex at high temperature. Having confirmed the dominant species, we directly determined the stability constants for the Zn-Cl complexes using thermodynamic integration along constrained Zn-Cl distances in a series of MD simulations. We corrected our stability constants to infinite dilution using the b-dot model for the activity coefficients of the solute species. In order to compare the ab initio results with experiments, we need to re-model the existing solubility data using the species we identified in our MD simulations. The stability constants derived from refitting published experimental data are in reasonable agreement with those we obtained using ab initio MD simulations. Our new thermodynamic model accurately predicts the experimentally observed changes in ZnO(s) and ZnCO3(s) solubility as a function of chloride concentration from 200 (Psat) to 600 °C (2000 bar). This study demonstrates that metal speciation and geologically useful stability constants can be derived for species in hydrothermal fluids from ab initio MD simulations even at the generalized gradient approximation for exchange-correlation. We caution, however, that simulations are mostly reliable at high T where ligand exchange is fast enough to yield thermodynamic averages over the timescales of the simulations.

Well hydraulics in pumping tests with exponentially decayed rates of abstraction in confined aquifers

NASA Astrophysics Data System (ADS)

Wen, Zhang; Zhan, Hongbin; Wang, Quanrong; Liang, Xing; Ma, Teng; Chen, Chen

2017-05-01

Actual field pumping tests often involve variable pumping rates which cannot be handled by the classical constant-rate or constant-head test models, and often require a convolution process to interpret the test data. In this study, we proposed a semi-analytical model considering an exponentially decreasing pumping rate started at a certain (higher) rate and eventually stabilized at a certain (lower) rate for cases with or without wellbore storage. A striking new feature of the pumping test with an exponentially decayed rate is that the drawdowns will decrease over a certain period of time during intermediate pumping stage, which has never been seen before in constant-rate or constant-head pumping tests. It was found that the drawdown-time curve associated with an exponentially decayed pumping rate function was bounded by two asymptotic curves of the constant-rate tests with rates equaling to the starting and stabilizing rates, respectively. The wellbore storage must be considered for a pumping test without an observation well (single-well test). Based on such characteristics of the time-drawdown curve, we developed a new method to estimate the aquifer parameters by using the genetic algorithm.

Routh's algorithm - A centennial survey

NASA Technical Reports Server (NTRS)

Barnett, S.; Siljak, D. D.

1977-01-01

One hundred years have passed since the publication of Routh's fundamental work on determining the stability of constant linear systems. The paper presents an outline of the algorithm and considers such aspects of it as the distribution of zeros and applications of it that relate to the greatest common divisor, the abscissa of stability, continued fractions, canonical forms, the nonnegativity of polynomials and polynomial matrices, the absolute stability, optimality and passivity of dynamic systems, and the stability of two-dimensional circuits.

Fault diagnosis of power transformer based on fault-tree analysis (FTA)

NASA Astrophysics Data System (ADS)

Wang, Yongliang; Li, Xiaoqiang; Ma, Jianwei; Li, SuoYu

2017-05-01

Power transformers is an important equipment in power plants and substations, power distribution transmission link is made an important hub of power systems. Its performance directly affects the quality and health of the power system reliability and stability. This paper summarizes the five parts according to the fault type power transformers, then from the time dimension divided into three stages of power transformer fault, use DGA routine analysis and infrared diagnostics criterion set power transformer running state, finally, according to the needs of power transformer fault diagnosis, by the general to the section by stepwise refinement of dendritic tree constructed power transformer fault

Pediatric Major Head Injury: Not a Minor Problem.

PubMed

Leetch, Aaron N; Wilson, Bryan

2018-05-01

Traumatic brain injury is a highly prevalent and devastating cause of morbidity and mortality in children. A rapid, stepwise approach to the traumatized child should proceed, addressing life-threatening problems first. Management focuses on preventing secondary injury from physiologic extremes such as hypoxemia, hypotension, prolonged hyperventilation, temperature extremes, and rapid changes in cerebral blood flow. Initial Glasgow Coma Score, hyperglycemia, and imaging are often prognostic of outcome. Surgically amenable lesions should be evacuated promptly. Reduction of intracranial pressure through hyperosmolar therapy, decompressive craniotomy, and seizure prophylaxis may be considered after stabilization. Nonaccidental trauma should be considered when evaluating pediatric trauma patients. Copyright © 2017 Elsevier Inc. All rights reserved.

The autumn effect: timing of physical dormancy break in seeds of two winter annual species of Geraniaceae by a stepwise process

PubMed Central

Gama-Arachchige, N. S.; Baskin, J. M.; Geneve, R. L.; Baskin, C. C.

2012-01-01

Background and Aims The involvement of two steps in the physical dormancy (PY)-breaking process previously has been demonstrated in seeds of Fabaceae and Convolvulaceae. Even though there is a claim for a moisture-controlled stepwise PY-breaking in some species of Geraniaceae, no study has evaluated the role of temperature in the PY-breaking process in this family. The aim of this study was to determine whether a temperature-controlled stepwise PY-breaking process occurs in seeds of the winter annuals Geranium carolinianum and G. dissectum. Methods Seeds of G. carolinianum and G. dissectum were stored under different temperature regimes to test the effect of storage temperature on PY-break. The role of temperature and moisture regimes in regulating PY-break was investigated by treatments simulating natural conditions. Greenhouse (non-heated) experiments on seed germination and burial experiments (outdoors) were carried out to determine the PY-breaking behaviour in the natural habitat. Key Results Irrespective of moisture conditions, sensitivity to the PY-breaking step in seeds of G. carolinianum was induced at temperatures ≥20 °C, and exposure to temperatures ≤20 °C made the sensitive seeds permeable. Sensitivity of seeds increased with time. In G. dissectum, PY-break occurred at temperatures ≥20 °C in a single step under constant wet or dry conditions and in two steps under alternate wet–dry conditions if seeds were initially kept wet. Conclusions Timing of seed germination with the onset of autumn can be explained by PY-breaking processes involving (a) two temperature-dependent steps in G. carolinianum and (b) one or two moisture-dependent step(s) along with the inability to germinate under high temperatures in G. dissectum. Geraniaceae is the third of 18 families with PY in which a two-step PY-breaking process has been demonstrated. PMID:22684684

Determination of Failure Point of Asphalt-Mixture Fatigue-Test Results Using the Flow Number Method

NASA Astrophysics Data System (ADS)

Wulan, C. E. P.; Setyawan, A.; Pramesti, F. P.

2018-03-01

The failure point of the results of fatigue tests of asphalt mixtures performed in controlled stress mode is difficult to determine. However, several methods from empirical studies are available to solve this problem. The objectives of this study are to determine the fatigue failure point of the results of indirect tensile fatigue tests using the Flow Number Method and to determine the best Flow Number model for the asphalt mixtures tested. In order to achieve these goals, firstly the best asphalt mixture of three was selected based on their Marshall properties. Next, the Indirect Tensile Fatigue Test was performed on the chosen asphalt mixture. The stress-controlled fatigue tests were conducted at a temperature of 20°C and frequency of 10 Hz, with the application of three loads: 500, 600, and 700 kPa. The last step was the application of the Flow Number methods, namely the Three-Stages Model, FNest Model, Francken Model, and Stepwise Method, to the results of the fatigue tests to determine the failure point of the specimen. The chosen asphalt mixture is EVA (Ethyl Vinyl Acetate) polymer -modified asphalt mixture with 6.5% OBC (Optimum Bitumen Content). Furthermore, the result of this study shows that the failure points of the EVA-modified asphalt mixture under loads of 500, 600, and 700 kPa are 6621, 4841, and 611 for the Three-Stages Model; 4271, 3266, and 537 for the FNest Model; 3401, 2431, and 421 for the Francken Model, and 6901, 6841, and 1291 for the Stepwise Method, respectively. These different results show that the bigger the loading, the smaller the number of cycles to failure. However, the best FN results are shown by the Three-Stages Model and the Stepwise Method, which exhibit extreme increases after the constant development of accumulated strain.

Molecular switching behavior in isosteric DNA base pairs.

PubMed

Jissy, A K; Konar, Sukanya; Datta, Ayan

2013-04-15

The structures and proton-coupled behavior of adenine-thymine (A-T) and a modified base pair containing a thymine isostere, adenine-difluorotoluene (A-F), are studied in different solvents by dispersion-corrected density functional theory. The stability of the canonical Watson-Crick base pair and the mismatched pair in various solvents with low and high dielectric constants is analyzed. It is demonstrated that A-F base pairing is favored in solvents with low dielectric constant. The stabilization and conformational changes induced by protonation are also analyzed for the natural as well as the mismatched base pair. DNA sequences capable of changing their sequence conformation on protonation are used in the construction of pH-based molecular switches. An acidic medium has a profound influence in stabilizing the isostere base pair. Such a large gain in stability on protonation leads to an interesting pH-controlled molecular switch, which can be incorporated in a natural DNA tract. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

DLVO Approximation Methods for Predicting the Attachment of Silver Nanoparticles to Ceramic Membranes.

PubMed

Mikelonis, Anne M; Youn, Sungmin; Lawler, Desmond F

2016-02-23

This article examines the influence of three common stabilizing agents (citrate, poly(vinylpyrrolidone) (PVP), and branched poly(ethylenimine) (BPEI)) on the attachment affinity of silver nanoparticles to ceramic water filters. Citrate-stabilized silver nanoparticles were found to have the highest attachment affinity (under conditions in which the surface potential was of opposite sign to the filter). This work demonstrates that the interaction between the electrical double layers plays a critical role in the attachment of nanoparticles to flat surfaces and, in particular, that predictions of double-layer interactions are sensitive to boundary condition assumptions (constant charge vs constant potential). The experimental deposition results can be explained when using different boundary condition assumptions for different stabilizing molecules but not when the same assumption was assumed for all three types of particles. The integration of steric interactions can also explain the experimental deposition results. Particle size was demonstrated to have an effect on the predicted deposition for BPEI-stabilized particles but not for PVP.

Influence of sulfhydryl sites on metal binding by bacteria

NASA Astrophysics Data System (ADS)

Nell, Ryan M.; Fein, Jeremy B.

2017-02-01

The role of sulfhydryl sites within bacterial cell envelopes is still unknown, but the sites may control the fate and bioavailability of metals. Organic sulfhydryl compounds are important complexing ligands in aqueous systems and they can influence metal speciation in natural waters. Though representing only approximately 5-10% of the total available binding sites on bacterial surfaces, sulfhydryl sites exhibit high binding affinities for some metals. Due to the potential importance of bacterial sulfhydryl sites in natural systems, metal-bacterial sulfhydryl site binding constants must be determined in order to construct accurate models of the fate and distribution of metals in these systems. To date, only Cd-sulfhydryl binding has been quantified. In this study, the thermodynamic stabilities of Mn-, Co-, Ni-, Zn-, Sr- and Pb-sulfhydryl bacterial cell envelope complexes were determined for the bacterial species Shewanella oneidensis MR-1. Metal adsorption experiments were conducted as a function of both pH, ranging from 5.0 to 7.0, and metal loading, from 0.5 to 40.0 μmol/g (wet weight) bacteria, in batch experiments in order to determine if metal-sulfhydryl binding occurs. Initially, the data were used to calculate the value of the stability constants for the important metal-sulfhydryl bacterial complexes for each metal-loading condition studied, assuming a single binding reaction for the dominant metal-binding site type under the pH conditions of the experiments. For most of the metals that we studied, these calculated stability constant values increased significantly with decreasing metal loading, strongly suggesting that our initial assumption was not valid and that more than one type of binding occurs at the assumed binding site. We then modeled each dataset with two distinct site types with identical acidity constants: one site with a high metal-site stability constant value, which we take to represent metal-sulfhydryl binding and which dominates under low metal loading conditions, and another more abundant site that we term non-sulfhydryl sites that becomes important at high metal loadings. The resulting calculated stability constants do not vary significantly as a function of metal loading and yield reasonable fits to the observed adsorption behaviors as a function of both pH and metal loading. We use the results to calculate the speciation of metals bound by the bacterial envelope in realistic bacteria-bearing, heavy metal contaminated systems in order to demonstrate the potential importance of metal-sulfhydryl binding in the budget of bacterially-adsorbed metals under low metal-loading conditions.

Constant-torque thermal cycling and two-way shape memory effect in Ni50.3Ti29.7Hf20 torque tubes

NASA Astrophysics Data System (ADS)

Benafan, O.; Gaydosh, D. J.

2018-07-01

Ni-rich Ni50.3Ti29.7Hf20 (at%) high-temperature shape memory alloy tubes were thermomechanically cycled under constant torques. Four loading configurations were examined that consisted of a series of ascending stresses (low-to-high stress from 0 to 500 MPa outer fiber shear stress), a series of descending stresses (high-to-low stress from 500 to 0 MPa), and a series of thermal cycles at a constant stress of 500 MPa, all using an upper cycle temperature (UCT) of 300 °C. The last configuration consisted of another series of ascending stress levels using a lesser UCT of 250 °C. It was found that the descending series trial stabilized the material response in fewer cycles than the other loading paths. Similarly, cycling at a constant stress of 500 MPa for approximately 100 cycles reached near stabilization (<0.05% residual strain accumulation). Transformation shear strains were the highest and most stable when cycled from lower-to-higher stresses (ascending series), reaching 5.78% at 400 MPa. Cycling to lesser UCTs of 250 °C (versus 300 °C) resulted in the highest two-way shape memory effect (TWSME), measuring over 3.25%. This was attributed to the effect of retained martensite and any transformation dislocations that served to stabilize the TWSME at the lower UCT. Results of this study suggest that different training paths might be used, depending on actuator performance requirements, whether the principal need is to maximize transformation strain, maximize the two-way shear strain, or stabilize the response in fewer cycles.

Hydration Differences Explain the Large Variations in the Complexation Thermodynamics of Modified γ-Cyclodextrins with Bile Salts.

PubMed

Køhler, Jonatan; Schönbeck, Christian; Westh, Peter; Holm, René

2016-01-28

The structure and thermodynamics of inclusion complexes of seven different γ-cyclodextrins (γCDs) and three biologically relevant bile salts (BS) were investigated in the present study. Natural γCD and six modified γCDs [two methyl-γCDs, one sulfobutyl ether-γCD (SBEγCD), and three 2-hydroxypropyl-γCDs (HPγCD)] and their complexes with BS were investigated by isothermal titration calorimetry, NMR, and molecular dynamics simulations. With the exception of the fully methylated γCD, which did not bind the BSs investigated, all of the γCDs formed 1:1 complexes with the BS, and the structures were similar to those with natural γCD; i.e., the modifications of the γCD had limited structural impact on the formation of complexes. Isothermal titration calorimetry was carried out over in the temperature interval 5-55 °C to enable the calculation of the stability constant (K) and the thermodynamic parameters enthalpy (ΔH°), entropy (ΔS°), and heat capacity (ΔCp°). The stability constants decreased with an increased degree of substitution (DS), with methyl substituents having a lower effect on the stability constant than the sulfobutyl ether and hydroxypropyl substituents on the stability constants. Enthalpy-entropy compensation was observed, since both enthalpy and entropy increased with the degree of substitution, which may reflect dehydration of the hydrophobic surface on both CD and BS. Calculations based on ΔCp° data suggested that each of the substituents dehydrated 10-20 (hydroxypropyl), 22-33 (sulfobutyl ether), and 10-15 Å(2) (methyl) of the BS surface area, in reasonable agreement with estimates from the molecular dynamics simulations. Combined with earlier investigations on modified βCDs, these results indicate general trends of the substituents on the thermodynamics of complex formation.

Moduli stabilization in stringy ISS models

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

Nakayama, Yu; Nakayama, Yu; Yamazaki, Masahito

2007-09-28

We present a stringy realization of the ISS metastable SUSY breaking model with moduli stabilization. The mass moduli of the ISS model is stabilized by gauging of a U(1) symmetry and its D-term potential. The SUSY is broken both by F-terms and D-terms. It is possible to obtain de Sitter vacua with a vanishingly small cosmological constant by an appropriate fine-tuning of flux parameters.

Stepwise kinetic equilibrium models of quantitative polymerase chain reaction.

PubMed

Cobbs, Gary

2012-08-16

Numerous models for use in interpreting quantitative PCR (qPCR) data are present in recent literature. The most commonly used models assume the amplification in qPCR is exponential and fit an exponential model with a constant rate of increase to a select part of the curve. Kinetic theory may be used to model the annealing phase and does not assume constant efficiency of amplification. Mechanistic models describing the annealing phase with kinetic theory offer the most potential for accurate interpretation of qPCR data. Even so, they have not been thoroughly investigated and are rarely used for interpretation of qPCR data. New results for kinetic modeling of qPCR are presented. Two models are presented in which the efficiency of amplification is based on equilibrium solutions for the annealing phase of the qPCR process. Model 1 assumes annealing of complementary targets strands and annealing of target and primers are both reversible reactions and reach a dynamic equilibrium. Model 2 assumes all annealing reactions are nonreversible and equilibrium is static. Both models include the effect of primer concentration during the annealing phase. Analytic formulae are given for the equilibrium values of all single and double stranded molecules at the end of the annealing step. The equilibrium values are then used in a stepwise method to describe the whole qPCR process. Rate constants of kinetic models are the same for solutions that are identical except for possibly having different initial target concentrations. Analysis of qPCR curves from such solutions are thus analyzed by simultaneous non-linear curve fitting with the same rate constant values applying to all curves and each curve having a unique value for initial target concentration. The models were fit to two data sets for which the true initial target concentrations are known. Both models give better fit to observed qPCR data than other kinetic models present in the literature. They also give better estimates of initial target concentration. Model 1 was found to be slightly more robust than model 2 giving better estimates of initial target concentration when estimation of parameters was done for qPCR curves with very different initial target concentration. Both models may be used to estimate the initial absolute concentration of target sequence when a standard curve is not available. It is argued that the kinetic approach to modeling and interpreting quantitative PCR data has the potential to give more precise estimates of the true initial target concentrations than other methods currently used for analysis of qPCR data. The two models presented here give a unified model of the qPCR process in that they explain the shape of the qPCR curve for a wide variety of initial target concentrations.

Hover test of a full-scale hingeless helicopter rotor: Aeroelastic stability, performance and loads data. [wind tunnel tests

NASA Technical Reports Server (NTRS)

Peterson, R. L.; Warmbrodt, W.

1984-01-01

A hover test of a full-scale, hingeless rotor system was conducted in the NASA Ames 40- by 80-foot wind tunnel. The rotor was tested on the Ames rotor test apparatus. Rotor aeroelastic stability, performance, and loads at various rotational speeds and thrust coefficients were investigated. The primary objective was to determine the inplane stability characteristics of the rotor system. Rotor inplane damping data were obtained for operation between 350 and 425 rpm (design speed), and for thurst coefficients between 0.0 and 0.12. The rotor was stable for all conditions tested. At constant rotor rotational speed, a minimum inplane dampling level was obtained at a thrust coefficient approximately = 0.02. At constant rotor lift, a minimum in rotor inplane damping was measured at 400 rpm.

Room-Temperature Micron-Scale Exciton Migration in a Stabilized Emissive Molecular Aggregate.

PubMed

Caram, Justin R; Doria, Sandra; Eisele, Dörthe M; Freyria, Francesca S; Sinclair, Timothy S; Rebentrost, Patrick; Lloyd, Seth; Bawendi, Moungi G

2016-11-09

We report 1.6 ± 1 μm exciton transport in self-assembled supramolecular light-harvesting nanotubes (LHNs) assembled from amphiphillic cyanine dyes. We stabilize LHNs in a sucrose glass matrix, greatly reducing light and oxidative damage and allowing the observation of exciton-exciton annihilation signatures under weak excitation flux. Fitting to a one-dimensional diffusion model, we find an average exciton diffusion constant of 55 ± 20 cm 2 /s, among the highest measured for an organic system. We develop a simple model that uses cryogenic measurements of static and dynamic energetic disorder to estimate a diffusion constant of 32 cm 2 /s, in agreement with experiment. We ascribe large exciton diffusion lengths to low static and dynamic energetic disorder in LHNs. We argue that matrix-stabilized LHNS represent an excellent model system to study coherent excitonic transport.

Predicting psychopharmacological drug effects on actual driving performance (SDLP) from psychometric tests measuring driving-related skills.

PubMed

Verster, Joris C; Roth, Thomas

2012-03-01

There are various methods to examine driving ability. Comparisons between these methods and their relationship with actual on-road driving is often not determined. The objective of this study was to determine whether laboratory tests measuring driving-related skills could adequately predict on-the-road driving performance during normal traffic. Ninety-six healthy volunteers performed a standardized on-the-road driving test. Subjects were instructed to drive with a constant speed and steady lateral position within the right traffic lane. Standard deviation of lateral position (SDLP), i.e., the weaving of the car, was determined. The subjects also performed a psychometric test battery including the DSST, Sternberg memory scanning test, a tracking test, and a divided attention test. Difference scores from placebo for parameters of the psychometric tests and SDLP were computed and correlated with each other. A stepwise linear regression analysis determined the predictive validity of the laboratory test battery to SDLP. Stepwise regression analyses revealed that the combination of five parameters, hard tracking, tracking and reaction time of the divided attention test, and reaction time and percentage of errors of the Sternberg memory scanning test, together had a predictive validity of 33.4%. The psychometric tests in this test battery showed insufficient predictive validity to replace the on-the-road driving test during normal traffic.

Stable colloids in molten inorganic salts

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

Zhang, Hao; Dasbiswas, Kinjal; Ludwig, Nicholas B.

2017-02-15

A colloidal solution is a homogeneous dispersion of particles or droplets of one phase (solute) in a second, typically liquid, phase (solvent). Colloids are ubiquitous in biological, chemical and technological processes1, 2, homogenizing highly dissimilar constituents. To stabilize a colloidal system against coalescence and aggregation, the surface of each solute particle is engineered to impose repulsive forces strong enough to overpower van der Waals attraction and keep the particles separated from each other2. Electrostatic stabilization3, 4 of charged solutes works well in solvents with high dielectric constants, such as water (dielectric constant of 80). In contrast, colloidal stabilization in solventsmore » with low polarity, such as hexane (dielectric constant of about 2), can be achieved by decorating the surface of each particle of the solute with molecules (surfactants) containing flexible, brush-like chains2, 5. Here we report a class of colloidal systems in which solute particles (including metals, semiconductors and magnetic materials) form stable colloids in various molten inorganic salts. The stability of such colloids cannot be explained by traditional electrostatic and steric mechanisms. Screening of many solute–solvent combinations shows that colloidal stability can be traced to the strength of chemical bonding at the solute–solvent interface. Theoretical analysis and molecular dynamics modelling suggest that a layer of surface-bound solvent ions produces long-ranged charge-density oscillations in the molten salt around solute particles, preventing their aggregation. Colloids composed of inorganic particles in inorganic melts offer opportunities for introducing colloidal techniques to solid-state science and engineering applications.« less

Vitamin C: Rate of Decay and Stability Characteristics

ERIC Educational Resources Information Center

Kakis, Frederic J.; Rossi, Carl J.

1974-01-01

Describes an experiment designed to provide the opportunity for studying some of the parameters affecting the stability of Vitamin C in various environments, and to acquaint the student with an experimental procedure for studying simple reaction kinetics and the calculations of specific rate constants. (Author/JR)

Stepwise morphological evolution of the active Yellow River (Huanghe) delta lobe (1976-2013): Dominant roles of riverine discharge and sediment grain size

NASA Astrophysics Data System (ADS)

Wu, Xiao; Bi, Naishuang; Xu, Jingping; Nittrouer, Jeffrey A.; Yang, Zuosheng; Saito, Yoshiki; Wang, Houjie

2017-09-01

The presently active Yellow River (Huanghe) delta lobe has been formed since 1976 when the river was artificially diverted. The process and driving forces of morphological evolution of the present delta lobe still remain unclear. Here we examined the stepwise morphological evolution of the active Yellow River delta lobe including both the subaerial and the subaqueous components, and illustrated the critical roles of riverine discharge and sediment grain size in dominating the deltaic evolution. The critical sediment loads for maintaining the delta stability were also calculated from water discharge and sediment load measured at station Lijin, the last gauging station approximately 100 km upstream from the river mouth. The results indicated that the development of active delta lobe including both subaerial and subaqueous components has experienced four sequential stages. During the first stage (1976-1981) after the channel migration, the unchannelized river flow enhanced deposition within the channel and floodplain between Lijin station and the river mouth. Therefore, the critical sediment supply calculated by the river inputs obtained from station Lijin was the highest. However, the actual sediment load at this stage (0.84 Gt/yr) was more than twice of the critical sediment load ( 0.35 Gt/yr) for sustaining the active subaerial area, which favored a rapid seaward progradation of the Yellow River subaerial delta. During the second stage (1981-1996), the engineering-facilitated channelized river flow and the increase in median grain size of suspended sediment delivered to the sea resulted in the critical sediment load for keeping the delta stability deceasing to 0.29 Gt/yr. The active delta lobe still gradually prograded seaward at an accretion rate of 11.9 km2/yr at this stage as the annual sediment load at Lijin station was 0.55 Gt/yr. From 1996 to 2002, the critical sediment load further decreased to 0.15 Gt/yr with the sediment grain size increased to 22.5 μm; however, the delta suffered net erosion because of the insufficient sediment supply (0.11 Gt/yr). In the most recent stage (2002 - 2013), the intensive scouring of the lower river channel induced by the dam regulation provided relatively coarser sediment, which effectively reduced the critical sediment load to 0.06 Gt/yr, much lower than the corresponding sediment load at Lijin station ( 0.16 Gt/yr). Consequently, the subaerial Yellow River delta transitioned to a slight accretion phase. Overall, the evolution of the active Yellow River delta is highly correlated to riverine water and sediment discharge. The sediment supply for keeping the subaerial delta stability is inconstant and varying with the river channel morphology and sediment grain size. We conclude that the human-impacted riverine sediment discharge and grain-size composition play dominant roles in the stepwise morphological evolution of the active delta lobe.

Structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds

NASA Astrophysics Data System (ADS)

Liu, Yangzhen; Xing, Jiandong; Fu, Hanguang; Li, Yefei; Sun, Liang; Lv, Zheng

2017-08-01

The properties of sulfides are important in the design of new iron-steel materials. In this study, first-principles calculations were used to estimate the structural stability, mechanical properties, electronic structures and thermal properties of XS (X = Ti, V, Cr, Mn, Fe, Co, Ni) binary compounds. The results reveal that these XS binary compounds are thermodynamically stable, because their formation enthalpy is negative. The elastic constants, Cij, and moduli (B, G, E) were investigated using stress-strain and Voigt-Reuss-Hill approximation, respectively. The sulfide anisotropy was discussed from an anisotropic index and three-dimensional surface contours. The electronic structures reveal that the bonding characteristics of the XS compounds are a mixture of metallic and covalent bonds. Using a quasi-harmonic Debye approximation, the heat capacity at constant pressure and constant volume was estimated. NiS possesses the largest CP and CV of the sulfides.

On the stability of soliton and hairy black hole solutions of 𝔰𝔲(N) Einstein-Yang-Mills theory with a negative cosmological constant

NASA Astrophysics Data System (ADS)

Baxter, J. Erik; Winstanley, Elizabeth

2016-02-01

We investigate the stability of spherically symmetric, purely magnetic, soliton and black hole solutions of four-dimensional 𝔰𝔲(N) Einstein-Yang-Mills theory with a negative cosmological constant Λ. These solutions are described by N - 1 magnetic gauge field functions ωj. We consider linear, spherically symmetric, perturbations of these solutions. The perturbations decouple into two sectors, known as the sphaleronic and gravitational sectors. For any N, there are no instabilities in the sphaleronic sector if all the magnetic gauge field functions ωj have no zeros and satisfy a set of N - 1 inequalities. In the gravitational sector, we prove that there are solutions which have no instabilities in a neighbourhood of stable embedded 𝔰𝔲(2) solutions, provided the magnitude of the cosmological constant |" separators=" Λ | is sufficiently large.

Investigation of Pu(IV)-acetohydroxamic acid complex by solvent extraction with di(2-ethylhexyl) phosphoric acid

NASA Astrophysics Data System (ADS)

Brown, M. Alex; Paulenova, Alena; Tkac, Peter

2010-03-01

The stability constant of the Pu(IV)-acetohydroxamic acid complex Pu(AHA)3+ at 1 M ionic strength (pH = 0) has been investigated by method of solvent extraction. Di(2-ethylhexyl) phosphoric acid (HDEHP) was used to extract Pu(IV) from perchloric and nitric acid media at various AHA concentrations. Distribution ratios over a range of ligand concentrations were used in conjunction with graphical methods to obtain logβ1 = 14.3 ± 0.03 in perchloric acid. The stability constant determined from solutions in nitric acid was excluded because of the uncertainty in plutonium speciation.

An iterative technique to stabilize a linear time invariant multivariable system with output feedback

NASA Technical Reports Server (NTRS)

Sankaran, V.

1974-01-01

An iterative procedure for determining the constant gain matrix that will stabilize a linear constant multivariable system using output feedback is described. The use of this procedure avoids the transformation of variables which is required in other procedures. For the case in which the product of the output and input vector dimensions is greater than the number of states of the plant, general solution is given. In the case in which the states exceed the product of input and output vector dimensions, a least square solution which may not be stable in all cases is presented. The results are illustrated with examples.

Solitons induced by alternating electric fields in surface-stabilized ferroelectric liquid crystals

NASA Astrophysics Data System (ADS)

Jeżewski, W.; Kuczyński, W.; Hoffmann, J.

2011-04-01

Propagation of solitary waves activated in thin ferroelectric liquid crystal cells under external, sinusoidally alternating electric fields is investigated using the electro-optic technique. It is shown that solitons give contributions only to the loss component of the response spectrum, within rather narrow ranges of frequencies and in sufficiently strong fields. The limit frequency, at which the amplitude of the velocity of the solitary waves is greatest, is found to be related to material constants of liquid crystals. Measuring this threshold frequency provides the capability to determine the elastic constant of surface stabilized liquid crystalline materials in the bookshelf or chevron layer geometries.

Soliton solutions, stability analysis and conservation laws for the brusselator reaction diffusion model with time- and constant-dependent coefficients

NASA Astrophysics Data System (ADS)

Inc, Mustafa; Yusuf, Abdullahi; Isa Aliyu, Aliyu; Hashemi, M. S.

2018-05-01

This paper studies the brusselator reaction diffusion model (BRDM) with time- and constant-dependent coefficients. The soliton solutions for BRDM with time-dependent coefficients are obtained via first integral (FIM), ansatz, and sine-Gordon expansion (SGEM) methods. Moreover, it is well known that stability analysis (SA), symmetry analysis and conservation laws (CLs) give several information for modelling a system of differential equations (SDE). This is because they can be used for investigating the internal properties, existence, uniqueness and integrability of different SDE. For this reason, we investigate the SA via linear stability technique, symmetry analysis and CLs for BRDM with constant-dependent coefficients in order to extract more physics and information on the governing equation. The constraint conditions for the existence of the solutions are also examined. The new solutions obtained in this paper can be useful for describing the concentrations of diffusion problems of the BRDM. It is shown that the examined dependent coefficients are some of the factors that are affecting the diffusion rate. So, the present paper provides much motivational information in comparison to the existing results in the literature.

Effect of the tether on the Mg(II), Ca(II), Cu(II) and Fe(III) stability constants and pM values of chelating agents related to EDDHA.

PubMed

Sierra, Miguel A; Gómez-Gallego, Mar; Alcázar, Roberto; Lucena, Juan J; Yunta, Felipe; García-Marco, Sonia

2004-11-07

The effect of the length and the structure of the tether on the chelating ability of EDDHA-like chelates have not been established. In this work, PDDHA (propylenediamine-N,N'-bis(o-hydroxyphenyl)acetic acid), BDDHA (butylenediamine-N,N'-bis(o-hydroxyphenyl)acetic acid) and XDDHA (p-xylylenediamine-N,N'-bis(o-hydroxyphenyl)acetic acid) have been obtained and their chemical behaviour has been studied and compared with that of EDDHA following our methodology. The purity of the chelating agents, and their protonation, Ca(II), Mg(II), Fe(III) and Cu(II) stability constants and pM values have been determined. The stability constants and pM values indicate that EDDHA forms the most stable chelates followed by PDDHA. However, the differences among the pFe values are small when a nutrient solution is used, and in these conditions the XDDHA/Fe(III) chelate is the most stable. The results obtained in this work indicate that all the chelating agents studied can be used as iron chlorosis correctors and they can be applied to soil/plant systems.

Ab initio and kinetic study of the reaction of ketones with OH for T = 500-2000 K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)(CH3)x, x = 0 ↦ 2.

PubMed

Zhou, Chong-Wen; Simmie, John M; Curran, Henry J

2011-06-21

A theoretical study is presented of the mechanism and kinetics of the reactions of the hydroxyl radical with three ketones: dimethyl (DMK), ethylmethyl (EMK) and iso-propylmethyl (iPMK) ketones. CCSD(T) values extrapolated to the basis set limit are used to benchmark the computationally less expensive methods G3 and G3MP2BH&H, for the DMK + OH reaction system. These latter methods are then used in computations involving the reactions of the larger ketones. All possible abstraction channels have been modeled. A stepwise mechanism involving the formation of a reactant complex in the entrance channel and a product complex in the exit channel has been recognized in part of the abstracting processes. High-pressure limit rate constants of the title reactions have been calculated in the temperature range of 500-2000 K using the Variflex code including Eckart tunneling corrections. Variable reaction coordinate transition state theory (VRC-TST) has been used for the rate constants of the barrier-less entrance channel. Calculated total rate constants (cm(3) mol(-1) s(-1)) are reported as follows: k(DMK) = 1.32 × 10(2)×T(3.30)exp(503/T), k(EMK) = 3.84 × 10(1)×T(3.51)exp(1515/T), k(iPMK) = 2.08 × 10(1)×T(3.58)exp(2161/T). Group rate constants (on a per H atom basis) for different carbon sites in title reactions have also been provided.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

The effect of cervical posterior foraminotomy on segmental range of motion in the setting of total disc arthroplasty.

PubMed

Bevevino, Adam J; Lehman, Ronald A; Kang, Daniel G; Gwinn, David E; Dmitriev, Anton E

2014-09-01

Human cadaveric biomechanical analysis. To investigate the effect on cervical spine segmental stability that results from a posterior foraminotomy after cervical disc arthroplasty (CDA). Posterior foraminotomy offers the ability to decompress cervical nerves roots while avoiding the need to extend a previous fusion or revise an arthroplasty to a fusion. However, the safety of a foraminotomy in the setting of CDA is unknown. Segmental nondestructive range of motion (ROM) was analyzed in 9 human cadaveric cervical spine specimens. After intact testing, each specimen was sequentially tested according to the following 4 experimental groups: group 1=C5-C6 CDA, group 2=C5-C6 CDA with unilateral C5-C6 foraminotomy, group 3=C5-C6 CDA with bilateral C5-C6 foraminotomy, and group 4=C5-C6 CDA with C5-C6 and C4-C5 bilateral foraminotomy. No differences in ROM were found between the intact, CDA, and foraminotomy specimens at C4-C5 or C6-C7. There was a step-wise increase in C5-C6 axial rotation from the intact state (8°) to group 4 (12°), although the difference did not reach statistical significance. At C5-C6, the degree of lateral bending remained relatively constant. Flexion and extension at C5-C6 was significantly higher in the foraminotomy specimens, groups 2 (18.1°), 3 (18.6°), and 4 (18.2°), compared with the intact state, 11.2°. However, no ROM difference was found within foraminotomy groups (2-4) or between the foraminotomy groups and the CDA group (group 1), 15.3°. Our results indicate that cervical stability is not significantly decreased by the presence, number, or level of posterior foraminotomies in the setting of CDA. The addition of foraminotomies to specimens with a pre-existing CDA resulted in small and insignificant increases in segmental ROM. Therefore, biomechanically, posterior foraminotomy/foraminotomies may be considered a safe and viable option in the setting of recurrent or adjacent level radiculopathy after cervical disc replacement. N/A.

Human Y-Family DNA Polymerase κ Is More Tolerant to Changes in Its Active Site Loop than Its Ortholog Escherichia coli DinB.

PubMed

Antczak, Nicole M; Packer, Morgan R; Lu, Xueguang; Zhang, Ke; Beuning, Penny J

2017-11-20

DNA damage is a constant threat and can be bypassed in a process called translesion synthesis, which is typically carried out by Y-family DNA polymerases. Y-family DNA polymerases are conserved in all domains of life and tend to have specificity for certain types of DNA damage. Escherichia coli DinB and its human ortholog pol κ can bypass specific minor groove deoxyguanine adducts efficiently and are inhibited by major groove adducts, as Y-family DNA polymerases make contacts with the minor groove side of the DNA substrate and lack contacts with the major groove at the nascent base pair. DinB is inhibited by major groove adducts more than pol κ, and they each have active site loops of different lengths, with four additional amino acids in the DinB loop. We previously showed that the R35A active site loop mutation in DinB allows for bypass of the major groove adduct N 6 -furfuryl-dA. These observations led us to investigate the different active site loops by creating loop swap chimeras of DinB with a pol κ loop and vice versa by changing the loop residues in a stepwise fashion. We then determined their activity with undamaged DNA or DNA containing N 2 -furfuryl-dG or N 6 -furfuryl-dA. The DinB proteins with the pol kappa loop have low activity on all templates but have decreased misincorporation compared to either wild-type protein. The kappa proteins with the DinB loop retain activity on all templates and have decreased misincorporation compared to either wild-type protein. We assessed the thermal stability of the proteins and observed an increase in stability in the presence of all DNA templates and additional increases generally only in the presence of the undamaged and N 2 -furfuryl-dG adduct and dCTP, which correlates with activity. Overall we find that pol κ is more tolerant to changes in the active site loop than DinB.

On the Stability of a Can of Soda

ERIC Educational Resources Information Center

Benesh, G. A.; Olafsen, J. S.

2014-01-01

Stability is often an important consideration in both static and dynamic systems. While introductory students soon grasp the balance of forces required for constant velocity motion, it generally takes longer for them to reliably identify the various torques involved in producing rotational equilibrium. Accelerating systems have the additional…

Stability condition for the drive bunch in a collinear wakefield accelerator

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

Baturin, S. S.; Zholents, A.

The beam breakup instability of the drive bunch in the structure-based collinear wakefield accelerator is considered and a stabilizing method is proposed. The method includes using the specially designed beam focusing channel, applying the energy chirp along the electron bunch, and keeping energy chirp constant during the drive bunch deceleration. A stability condition is derived that defines the limit on the accelerating field for the witness bunch.

Solar Dynamic Power System Stability Analysis and Control

NASA Technical Reports Server (NTRS)

Momoh, James A.; Wang, Yanchun

1996-01-01

The objective of this research is to conduct dynamic analysis, control design, and control performance test of solar power system. Solar power system consists of generation system and distribution network system. A bench mark system is used in this research, which includes a generator with excitation system and governor, an ac/dc converter, six DDCU's and forty-eight loads. A detailed model is used for modeling generator. Excitation system is represented by a third order model. DDCU is represented by a seventh order system. The load is modeled by the combination of constant power and constant impedance. Eigen-analysis and eigen-sensitivity analysis are used for system dynamic analysis. The effects of excitation system, governor, ac/dc converter control, and the type of load on system stability are discussed. In order to improve system transient stability, nonlinear ac/dc converter control is introduced. The direct linearization method is used for control design. The dynamic analysis results show that these controls affect system stability in different ways. The parameter coordination of controllers are recommended based on the dynamic analysis. It is concluded from the present studies that system stability is improved by the coordination of control parameters and the nonlinear ac/dc converter control stabilize system oscillation caused by the load change and system fault efficiently.

Effects of mutations of thermolysin, as N116 to asp and asp150 to glu, on salt-induced activation and stabilization.

PubMed

Menach, Evans; Yasukawa, Kiyoshi; Inouye, Kuniyo

2013-01-01

Neutral salts activate and stabilize thermolysin. We previously found that two single mutations, Asn116→Asp and Asp150→Glu, increase the activity of thermolysin. In the present study, we examined their effects on NaCl-induced activation and stabilization. In the hydrolysis of N-[3-(2-furyl)acryloyl]-glycyl-L-leucine amide, the relative activities (the ratios of the specificity constant, kcat/Km, at x M NaCl to that at 0 M NaCl) at 0.5-4.0 M NaCl of D150E and N116D/D150E were lower than those of wild-type thermolysin (WT) and N116D, respectively. In thermal inactivation at 70 °C, the relative stabilities (the ratios of the first-order rate constant, kobs, at 0 M NaCl to that at x M NaCl) at 0.5-4.0 M NaCl of D150E and N116D/D150E were lower than those of WT and N116D, respectively. These results indicate that unlike Asn116→Asp, Asp150→Glu reduced NaCl-induced activation and stabilization, suggesting that the binding of ions with certain residues of thermolysin is involved in the activation and stabilization.

Constants for mercury binding by organic matter isolates from the Florida Everglades

USGS Publications Warehouse

Benoit, J.M.; Mason, R.P.; Gilmour, C.C.; Aiken, G.R.

2001-01-01

Dissolved organic matter (DOM) has been implicated as an important complexing agent for Hg that can affect its mobility and bioavailability in aquatic ecosystems. However, binding constants for natural Hg-DOM complexes are not well known. We employed a competitive ligand approach to estimate conditional stability constants for Hg complexes with DOM isolates collected from Florida Everglades surface waters. The isolates examined were the hydrophobic fraction of DOM from a eutrophic, sulfidic site (F1-HPoA) and the hydrophilic fraction from an oligotrophic, low-sulfide site (2BS-HPiA). Our experimental determinations utilized overall octanol-water partitioning coefficients (Dow) for 203Hg at 0.01 M chloride and across pH and DOM concentration gradients. Use of this radioisotope allowed rapid determinations of Hg concentrations in both water and octanol phases without problems of matrix interference. Conditional stability constants (1 = 0.06, 23??C) were log K??? = 11.8 for F1-HPoA and log K' = 10.6 for 2BS-HPiA. These are similar to previously published stability constants for Hg binding to low-molecular-weight thiols. Further, F1-HPoA showed a pH-dependent decline in Dow that was consistent with models of Hg complexation with thiol groups as the dominant Hg binding sites in DOM. These experiments demonstrate that the DOM isolates are stronger ligands for Hg than chloride ion or ethylenediamine-tetraacetic acid. Speciation calculations indicate that at the DOM concentrations frequently measured in Everglades, 20 to 40 ??M, significant complexation of Hg by DOM would be expected in aerobic (sulfide-free) surface waters. Copyright ?? 2001 Elsevier Science Ltd.

Development and application of bio-sample quantification to evaluate stability and pharmacokinetics of inulin-type fructo-oligosaccharides from Morinda Officinalis.

PubMed

Chi, Liandi; Chen, Lingxiao; Zhang, Jiwen; Zhao, Jing; Li, Shaoping; Zheng, Ying

2018-07-15

Inulin-type fructooligosaccharides (FOS) purified from Morinda Officinalis, with degrees of polymerization (DP) from 3 to 9, have been approved in China as an oral prescribed drug for mild and moderate depression episode, while the stability and oral absorption of this FOS mixtures are largely unknown. As the main active component and quality control marker for above FOS, DP5 was selected as the representative FOS in this study. Desalting method by ion exchange resin was developed to treat bio-sample, followed by separation and quantification by high performance liquid chromatography-charged aerosol detector. Results showed that the DP5 was stepwisely hydrolyzed in simulated gastric fluid and gut microbiota, while maintained stable in intestinal fluid. DP5 has poor permeability across Caco-2 monolayer with P app of 5.22 × 10 -7  cm/s, and very poor oral absorption with bioavailability of (0.50 ± 0.12)% in rat. In conclusion, FOS in Morinda Officinalis demonstrated poor chemical stability in simulated gastric fluid and human gut microbiota, and low oral absorption in rats. Copyright © 2018 Elsevier B.V. All rights reserved.

Sequential events in the irreversible thermal denaturation of human brain-type creatine kinase by spectroscopic methods.

PubMed

Gao, Yan-Song; Su, Jing-Tan; Yan, Yong-Bin

2010-06-25

The non-cooperative or sequential events which occur during protein thermal denaturation are closely correlated with protein folding, stability, and physiological functions. In this research, the sequential events of human brain-type creatine kinase (hBBCK) thermal denaturation were studied by differential scanning calorimetry (DSC), CD, and intrinsic fluorescence spectroscopy. DSC experiments revealed that the thermal denaturation of hBBCK was calorimetrically irreversible. The existence of several endothermic peaks suggested that the denaturation involved stepwise conformational changes, which were further verified by the discrepancy in the transition curves obtained from various spectroscopic probes. During heating, the disruption of the active site structure occurred prior to the secondary and tertiary structural changes. The thermal unfolding and aggregation of hBBCK was found to occur through sequential events. This is quite different from that of muscle-type CK (MMCK). The results herein suggest that BBCK and MMCK undergo quite dissimilar thermal unfolding pathways, although they are highly conserved in the primary and tertiary structures. A minor difference in structure might endow the isoenzymes dissimilar local stabilities in structure, which further contribute to isoenzyme-specific thermal stabilities.

Hysteresis Analysis Based on the Ferroelectric Effect in Hybrid Perovskite Solar Cells.

PubMed

Wei, Jing; Zhao, Yicheng; Li, Heng; Li, Guobao; Pan, Jinlong; Xu, Dongsheng; Zhao, Qing; Yu, Dapeng

2014-11-06

The power conversion efficiency (PCE) of CH3NH3PbX3 (X = I, Br, Cl) perovskite solar cells has been developed rapidly from 6.5 to 18% within 3 years. However, the anomalous hysteresis found in I-V measurements can cause an inaccurate estimation of the efficiency. We attribute the phenomena to the ferroelectric effect and build a model based on the ferroelectric diode to explain it. The ferroelectric effect of CH3NH3PbI3-xClx is strongly suggested by characterization methods and the E-P (electrical field-polarization) loop. The hysteresis in I-V curves is found to greatly depend on the scan range as well as the velocity, which is well explained by the ferroelectric diode model. We also find that the current signals show exponential decay in ∼10 s under prolonged stepwise measurements, and the anomalous hysteresis disappears using these stabilized current values. The experimental results accord well with the model based on ferroelectric properties and prove that prolonged stepwise measurement is an effective way to evaluate the real efficiency of perovskite solar cells. Most importantly, this work provides a meaningful perspective that the ferroelectric effect (if it really exists) should be paid special attention in the optimization of perovskite solar cells.

STEP and STEPSPL: Computer programs for aerodynamic model structure determination and parameter estimation

NASA Technical Reports Server (NTRS)

Batterson, J. G.

1986-01-01

The successful parametric modeling of the aerodynamics for an airplane operating at high angles of attack or sideslip is performed in two phases. First the aerodynamic model structure must be determined and second the associated aerodynamic parameters (stability and control derivatives) must be estimated for that model. The purpose of this paper is to document two versions of a stepwise regression computer program which were developed for the determination of airplane aerodynamic model structure and to provide two examples of their use on computer generated data. References are provided for the application of the programs to real flight data. The two computer programs that are the subject of this report, STEP and STEPSPL, are written in FORTRAN IV (ANSI l966) compatible with a CDC FTN4 compiler. Both programs are adaptations of a standard forward stepwise regression algorithm. The purpose of the adaptation is to facilitate the selection of a adequate mathematical model of the aerodynamic force and moment coefficients of an airplane from flight test data. The major difference between STEP and STEPSPL is in the basis for the model. The basis for the model in STEP is the standard polynomial Taylor's series expansion of the aerodynamic function about some steady-state trim condition. Program STEPSPL utilizes a set of spline basis functions.

Predicting Retention Times of Naturally Occurring Phenolic Compounds in Reversed-Phase Liquid Chromatography: A Quantitative Structure-Retention Relationship (QSRR) Approach

PubMed Central

Akbar, Jamshed; Iqbal, Shahid; Batool, Fozia; Karim, Abdul; Chan, Kim Wei

2012-01-01

Quantitative structure-retention relationships (QSRRs) have successfully been developed for naturally occurring phenolic compounds in a reversed-phase liquid chromatographic (RPLC) system. A total of 1519 descriptors were calculated from the optimized structures of the molecules using MOPAC2009 and DRAGON softwares. The data set of 39 molecules was divided into training and external validation sets. For feature selection and mapping we used step-wise multiple linear regression (SMLR), unsupervised forward selection followed by step-wise multiple linear regression (UFS-SMLR) and artificial neural networks (ANN). Stable and robust models with significant predictive abilities in terms of validation statistics were obtained with negation of any chance correlation. ANN models were found better than remaining two approaches. HNar, IDM, Mp, GATS2v, DISP and 3D-MoRSE (signals 22, 28 and 32) descriptors based on van der Waals volume, electronegativity, mass and polarizability, at atomic level, were found to have significant effects on the retention times. The possible implications of these descriptors in RPLC have been discussed. All the models are proven to be quite able to predict the retention times of phenolic compounds and have shown remarkable validation, robustness, stability and predictive performance. PMID:23203132

Direct 40Ar/39Ar age determination of fluid inclusions using in-vacuo¬ stepwise crushing - Example of garnet from the Cycladic Blueschist Unit on Syros

NASA Astrophysics Data System (ADS)

Uunk, Bertram; Postma, Onno; Wijbrans, Jan; Brouwer, Fraukje

2017-04-01

Metamorphic minerals and veins commonly trap attending hydrous fluids in fluid inclusions, which yield a wealth of information on the history of the hosting metamorphic system. When these fluids are sufficiently saline, the KCl in the inclusions can be used as a K/Ar geochronologic system, potentially dating inclusion incorporation. Whilst primary fluid inclusions (PFIs) can date fluid incorporation during mineral or vein growth, secondary fluid inclusion trails (SFIs) can provide age constraints on later fluid flow events. At VU Amsterdam, a new in-vacuo crushing apparatus has been designed to extract fluid inclusions from minerals for 40Ar/39Ar analysis. Separates are crushed inside a crusher tube connected to a purification line and a quadrupole mass spectrometer. In-vacuo crushing is achieved by lifting and dropping a steel pestle using an externally controlled magnetic field. As the gas can be analyzed between different crushing steps, the setup permits stepwise crushing experiments. Additionally, crushed powder can be heated by inserting the crusher tube in an externally controlled furnace. Dating by 40Ar/39Ar stepwise crushing has the added advantage that, during neutron irradiation to produce 39Ar from 39K, 38Ar and 37Ar are also produced from 38Cl and 40Ca, respectively. Simultaneous analysis of these argon isotopes permits constraining the chemistry of the argon source sampled during the experiment. This allows a distinction between different fluid or crystal lattice sources. Garnet from three samples of the HP metamorphic Cycladic Blueschist Unit on Syros, Greece was stepwise crushed to obtain fluid inclusion ages. Initial steps for all three experiments yield significant components of excess argon, which are interpreted to originate from grain boundary fluids and secondary fluid inclusions trails. During subsequent steps, age results stabilize to a plateau age. One garnet from North Syros yields an unusually old 80 Ma plateau age. However, isochrons indicate the presence of excess argon in the PFIs and isochron ages overlap with other isotopic constraints on the age of garnet growth during eclogite metamorphism (55-50 Ma) in the underlying metabasite. Garnet from two samples from the center of Syros yields younger ages overlapping with greenschist overprinting (25-30 Ma). Further studies will indicate whether these younger ages reflect a young garnet growth age or a young fluid flow event affecting older garnet crystals. The stepwise crushing and heating approach shows to be effective in dating fluid inclusions in natural mineral systems. As many metamorphic processes occur under influence or in the presence of fluids, this method should greatly expand our possibilities to date crustal processes.

Thermodynamic, Spectroscopic, and Computational Studies of f -Element Complexation by N -Hydroxyethyl-diethylenetriamine- N,N ', N ", N"-tetraacetic Acid

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

Grimes, Travis S.; Heathman, Colt R.; Jansone-Popova, Santa

Potentiometric and spectroscopic techniques were combined with DFT calculations to probe the coordination environment and determine thermodynamic features of trivalent f-element complexation by N-hydroxyethyl-diethylenetriamine-N,N',N",N"-tetraacetic acid, HEDTTA. Ligand protonation constants and lanthanide stability constants were determined using potentiometry. Five protonation constants were accessible in I = 2.0 M (H +/Na +)ClO 4. UV–vis spectroscopy was used to determine stability constants for Nd 3+ and Am 3+ complexation with HEDTTA. Luminescence spectroscopy indicates two water molecules in the inner coordination sphere of the Eu/HEDTTA complex, suggesting HEDTTA is heptadentate. Luminescence data was supported by DFT calculations, which demonstrate that substitution of themore » acetate pendant arm by a N-hydroxyethyl group weakens the metal–nitrogen bond. This bond elongation is reflected in HEDTTA’s ability to differentiate trivalent actinides from trivalent lanthanides. The trans-lanthanide Ln/HEDTTA complex stability trend is analogous to Ln/DTPA complexation; however, the loss of one chelate ring resulting from structural substitution weakens the complexation by ~3 orders of magnitude. Successful separation of trivalent americium from trivalent lanthanides was demonstrated when HEDTTA was utilized as aqueous holdback complexant in a liquid–liquid system. Time-dependent extraction studies for HEDTTA were compared to diethylenetriamine-N,N,N',N",N"-pentaacetic acid (DTPA) and N-hydroxyethyl-ethylenediamine-N,N',N'-triacetic acid (HEDTA). The results presented here indicate substantially enhanced phase-transfer kinetic rates for mixtures containing HEDTTA.« less

Thermodynamic, Spectroscopic, and Computational Studies of f -Element Complexation by N -Hydroxyethyl-diethylenetriamine- N,N ', N ", N"-tetraacetic Acid

DOE PAGES

Grimes, Travis S.; Heathman, Colt R.; Jansone-Popova, Santa; ...

2017-01-24

Potentiometric and spectroscopic techniques were combined with DFT calculations to probe the coordination environment and determine thermodynamic features of trivalent f-element complexation by N-hydroxyethyl-diethylenetriamine-N,N',N",N"-tetraacetic acid, HEDTTA. Ligand protonation constants and lanthanide stability constants were determined using potentiometry. Five protonation constants were accessible in I = 2.0 M (H +/Na +)ClO 4. UV–vis spectroscopy was used to determine stability constants for Nd 3+ and Am 3+ complexation with HEDTTA. Luminescence spectroscopy indicates two water molecules in the inner coordination sphere of the Eu/HEDTTA complex, suggesting HEDTTA is heptadentate. Luminescence data was supported by DFT calculations, which demonstrate that substitution of themore » acetate pendant arm by a N-hydroxyethyl group weakens the metal–nitrogen bond. This bond elongation is reflected in HEDTTA’s ability to differentiate trivalent actinides from trivalent lanthanides. The trans-lanthanide Ln/HEDTTA complex stability trend is analogous to Ln/DTPA complexation; however, the loss of one chelate ring resulting from structural substitution weakens the complexation by ~3 orders of magnitude. Successful separation of trivalent americium from trivalent lanthanides was demonstrated when HEDTTA was utilized as aqueous holdback complexant in a liquid–liquid system. Time-dependent extraction studies for HEDTTA were compared to diethylenetriamine-N,N,N',N",N"-pentaacetic acid (DTPA) and N-hydroxyethyl-ethylenediamine-N,N',N'-triacetic acid (HEDTA). The results presented here indicate substantially enhanced phase-transfer kinetic rates for mixtures containing HEDTTA.« less

[Evaluation of the influence of humidity and temperature on the drug stability by initial average rate experiment].

PubMed

He, Ning; Sun, Hechun; Dai, Miaomiao

2014-05-01

To evaluate the influence of temperature and humidity on the drug stability by initial average rate experiment, and to obtained the kinetic parameters. The effect of concentration error, drug degradation extent, humidity and temperature numbers, humidity and temperature range, and average humidity and temperature on the accuracy and precision of kinetic parameters in the initial average rate experiment was explored. The stability of vitamin C, as a solid state model, was investigated by an initial average rate experiment. Under the same experimental conditions, the kinetic parameters obtained from this proposed method were comparable to those from classical isothermal experiment at constant humidity. The estimates were more accurate and precise by controlling the extent of drug degradation, changing humidity and temperature range, or by setting the average temperature closer to room temperature. Compared with isothermal experiments at constant humidity, our proposed method saves time, labor, and materials.

Model free simulations of a high speed reacting mixing layer

NASA Technical Reports Server (NTRS)

Steinberger, Craig J.

1992-01-01

The effects of compressibility, chemical reaction exothermicity and non-equilibrium chemical modeling in a combusting plane mixing layer were investigated by means of two-dimensional model free numerical simulations. It was shown that increased compressibility generally had a stabilizing effect, resulting in reduced mixing and chemical reaction conversion rate. The appearance of 'eddy shocklets' in the flow was observed at high convective Mach numbers. Reaction exothermicity was found to enhance mixing at the initial stages of the layer's growth, but had a stabilizing effect at later times. Calculations were performed for a constant rate chemical rate kinetics model and an Arrhenius type kinetics prototype. The Arrhenius model was found to cause a greater temperature increase due to reaction than the constant kinetics model. This had the same stabilizing effect as increasing the exothermicity of the reaction. Localized flame quenching was also observed when the Zeldovich number was relatively large.

Thermodynamic and Spectroscopic Studies of Trivalent f -element Complexation with Ethylenediamine- N,N '-di(acetylglycine)- N,N '-diacetic Acid

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

Heathman, Colt R.; Grimes, Travis S.; Zalupski, Peter R.

In this study, the coordination behavior and thermodynamic features of complexation of trivalent lanthanides and americium by ethylenediamine- N,N'-di(acetylglycine)- N,N'-diacetic acid (EDDAG-DA) (bisamide-substituted-EDTA) were investigated by potentiometric and spectroscopic techniques. Acid dissociation constants (K a) and complexation constants (β) of lanthanides (except Pm) were determined by potentiometric analysis. Absorption spectroscopy was used to determine stability constants for the binding of trivalent americium and neodymium by EDDAG-DA under similar conditions. The potentiometry revealed 5 discernible protonation constants and 3 distinct metal–ligand complexes (identified as ML –, MHL, and MH 2L +). Time-resolved fluorescence studies of Eu-(EDDAG-DA) solutions (at varying pH) identifiedmore » a constant inner-sphere hydration number of 3, suggesting that glycine functionalities contained in the amide pendant arms are not involved in metal complexation and are protonated under more acidic conditions. The thermodynamic studies identified that f-element coordination by EDDAG-DA is similar to that observed for ethylenediamine- N,N,N',N'-tetraacetic acid (EDTA). However, coordination via two amidic oxygens of EDDAG-DA lowers its trivalent f-element complex stability by roughly 3 orders of magnitude relative to EDTA.« less

Thermodynamic and Spectroscopic Studies of Trivalent f -element Complexation with Ethylenediamine- N,N '-di(acetylglycine)- N,N '-diacetic Acid

DOE PAGES

Heathman, Colt R.; Grimes, Travis S.; Zalupski, Peter R.

2016-03-21

In this study, the coordination behavior and thermodynamic features of complexation of trivalent lanthanides and americium by ethylenediamine- N,N'-di(acetylglycine)- N,N'-diacetic acid (EDDAG-DA) (bisamide-substituted-EDTA) were investigated by potentiometric and spectroscopic techniques. Acid dissociation constants (K a) and complexation constants (β) of lanthanides (except Pm) were determined by potentiometric analysis. Absorption spectroscopy was used to determine stability constants for the binding of trivalent americium and neodymium by EDDAG-DA under similar conditions. The potentiometry revealed 5 discernible protonation constants and 3 distinct metal–ligand complexes (identified as ML –, MHL, and MH 2L +). Time-resolved fluorescence studies of Eu-(EDDAG-DA) solutions (at varying pH) identifiedmore » a constant inner-sphere hydration number of 3, suggesting that glycine functionalities contained in the amide pendant arms are not involved in metal complexation and are protonated under more acidic conditions. The thermodynamic studies identified that f-element coordination by EDDAG-DA is similar to that observed for ethylenediamine- N,N,N',N'-tetraacetic acid (EDTA). However, coordination via two amidic oxygens of EDDAG-DA lowers its trivalent f-element complex stability by roughly 3 orders of magnitude relative to EDTA.« less

Autoregulation of renal blood flow in the conscious dog and the contribution of the tubuloglomerular feedback

PubMed Central

Just, Armin; Wittmann, Uwe; Ehmke, Heimo; Kirchheim, Hartmut R

1998-01-01

The aim of this study was to investigate the autoregulation of renal blood flow under physiological conditions, when challenged by the normal pressure fluctuations, and the contribution of the tubuloglomerular feedback (TGF). The transfer function between 0.0018 and 0.5 Hz was calculated from the spontaneous fluctuations in renal arterial blood pressure (RABP) and renal blood flow (RBF) in conscious resting dogs. The response of RBF to stepwise artificially induced reductions in RABP was also studied (stepwise autoregulation). Under control conditions (n = 12 dogs), the gain of the transfer function started to decrease, indicating improving autoregulation, below 0.06-0.15 Hz (t = 7-17 s). At 0.027 Hz a prominent peak of high gain was found. Below 0.01 Hz (t > 100 s), the gain reached a minimum (maximal autoregulation) of -6.3 ± 0.6 dB. The stepwise autoregulation (n = 4) was much stronger (-19.5 dB). The time delay of the transfer function was remarkably constant from 0.03 to 0.08 Hz (high frequency (HF) range) at 1.7 s and from 0.0034 to 0.01 Hz (low frequency (LF) range) at 14.3 s, respectively. Nifedipine, infused into the renal artery, abolished the stepwise autoregulation (-2.0 ± 1.1 dB, n = 3). The gain of the transfer function (n = 4) remained high down to 0.0034 Hz; in the LF range it was higher than in the control (0.3 ± 1.0 dB, P < 0.05). The time delay in the HF range was reduced to 0.5 s (P < 0.05). After ganglionic blockade (n = 7) no major changes in the transfer function were observed. Under furosemide (frusemide) (40 mg + 10 mg h−1 or 300 mg + 300 mg h−1 i.v.) the stepwise autoregulation was impaired to -7.8 ± 0.3 or -6.7 ± 1.9 dB, respectively (n = 4). In the transfer function (n = 7 or n = 4) the peak at 0.027 Hz was abolished. The delay in the LF range was reduced to -1.1 or -1.6 s, respectively. The transfer gain in the LF range (-5.5 ± 1.2 or -3.8 ± 0.8 dB, respectively) did not differ from the control but was smaller than that under nifedipine (P < 0.05). It is concluded that the ample capacity for regulation of RBF is only partially employed under physiological conditions. The abolition by nifedipine and the negligible effect of ganglionic blockade show that above 0.0034 Hz it is almost exclusively due to autoregulation by the kidney itself. TGF contributes to the maximum autoregulatory capacity, but it is not required for the level of autoregulation expended under physiological conditions. Around 0.027 Hz, TGF even reduces the degree of autoregulation. PMID:9481688

An Investigation of the Elements which Contribute to Statical and Dynamical Stability, and of the Effects of Variation in Those Elements

NASA Technical Reports Server (NTRS)

Klemin, Alexander; Warner, Edward P; Denkinger, George M

1918-01-01

Part 1 gives details of models tested and methods of testing of the Eiffel 36 wing alone and the JN2 aircraft. Characteristics and performance curves for standard JN are included. Part 2 presents a statistical analysis of the following: lift and drag contributed by body and chassis tested without wings; lift and drag contributed by tail, tested without wings; the effect on lift and drift of interference between the wings of a biplane combination; lift and drag contributed by the addition of body, chassis, and tail to a biplane combination; total parasite resistance; effect of varying size of tail, keeping angle of setting constant; effect of varying length of body and size of tail at the same time, keeping constant moment of tail surface about the center of gravity; forces on the tail and the effects of downwash; effect of size and setting of tail on statical longitudinal stability effects of length of body on stability; the effects of the various elements of an airplane on longitudinal stability and the placing of the force vectors. Part 3 presents the fundamental principals of dynamical stability; computations of resistance derivatives; solution of the stability equation; dynamical stability of the Curtiss JN2; tabulation of resistance derivatives; discussion of the resistance derivatives; formation and solution of stability equations; physical conceptions of the resistance derivatives; elements contributing to damping and an investigation of low speed conditions. Part 4 includes a summary of the results of the statistical investigation and a summary of the results for dynamic stability.

Trehalose delays the reversible but not the irreversible thermal denaturation of cutinase.

PubMed

Baptista, R P; Cabral, J M; Melo, E P

2000-12-20

The effect of trehalose (0.5 M) on the thermal stability of cutinase in the alkaline pH range was studied. The thermal unfolding induced by increasing temperature was analyzed in the absence and in the presence of trehalose according to a two-state model (which assumes that only the folded and unfolded states of cutinase were present). Trehalose delays the reversible unfolding. The midpoint temperature of the unfolding transition (Tm) increases by 4.0 degrees C and 2. 6 degrees C at pH 9.2 and 10.5, respectively, in the presence of trehalose. At pH 9.2 the thermal unfolding occurs at higher temperatures (Tm is 52.6 degrees C compared to 42.0 degrees C at pH 10.5) and a refolding yield of around 80% was obtained upon cooling. This pH value was chosen to study the irreversible inactivation (long-term stability) of cutinase. Temperatures in the transition range from folded to unfolded state were selected and the rate constants of irreversible inactivation determined. Inactivation followed first-order kinetics and trehalose reduced the observed rate constants of inactivation, pointing to a stabilizing effect on the irreversible inactivation step of thermal denaturation. However, if the contribution of reversible unfolding on the irreversible inactivation of cutinase was taken into account, i.e., considering the fraction of cutinase molecules in the reversible unfolded conformation, the intrinsic rate constants can be calculated. Based on the intrinsic rate constants it was concluded that trehalose does not delay the irreversible inactivation. This conclusion was further supported by comparing the activation energy of the irreversible inactivation in the absence and in the presence of trehalose. The apparent activation energy in the absence and in the presence of trehalose were 67 and 99 Kcal/mol, respectively. The activation energy calculated from intrinsic rate constants was higher in the absence (30 Kcal/mol) than in the presence of trehalose (16 Kcal/mol), showing that kinetics of the irreversible inactivation step increased in the presence of trehalose. In fact, trehalose stabilized only the reversible step of thermal denaturation of cutinase.

Accurate L-Band Measurements of the Dielectric Constant of Seawater

NASA Technical Reports Server (NTRS)

Lang, R.H.; Utku, C.; Tarkocin, Y.; Vine, D.M. Le

2007-01-01

A new temperature controlled microwave cavity system to measure the complex dielectric constant of seawater at 1.413 GHz is discussed. The system is being developed to measure seawater for temperatures from O C to 30 C and salinities from 10 to 40 psu, The paper discusses the construction of the measurement system and initial stability tests.

The calculation of lateral stability with free controls

NASA Technical Reports Server (NTRS)

Mathias, Gotthold

1934-01-01

The discussion of the structural methods for obtaining lateral stability discloses the remarkable influence of the constant fuselage and wing proportions to the yawing moments. For the effectiveness of modifications in vertical tail surfaces and tail length, these quotas - little observed heretofore, in this connection - are decisive. This also applies to the amount of dihedral of the wing with regard to the roll stability of the complete wing already existing without angle of the dihedral.

Characterization of bovine cartilage by fiber Bragg grating-based stress relaxation measurements

NASA Astrophysics Data System (ADS)

Baier, V.; Marchi, G.; Foehr, P.; Burgkart, R.; Roths, J.

2017-04-01

A fiber-based device for testing mechanical properties of cartilage is presented within this study. The measurement principle is based on stepwise indentation into the tissue and observing of corresponding relaxation of the stress. The indenter tip is constituted of a cleaved optical fiber that includes a fiber Bragg grating which is used as the force sensor. Stress relaxation measurements at 25 different positions on a healthy bovine cartilage sample were performed to assess the behavior of healthy cartilage. For each indentation step a good agreement was found with a viscoelastic model that included two time constants. The model parameters showed low variability and a clear dependence with indentation depth. The parameters can be used as reference values for discriminating healthy and degenerated cartilage.

An interative solution of an integral equation for radiative transfer by using variational technique

NASA Technical Reports Server (NTRS)

Yoshikawa, K. K.

1973-01-01

An effective iterative technique is introduced to solve a nonlinear integral equation frequently associated with radiative transfer problems. The problem is formulated in such a way that each step of an iterative sequence requires the solution of a linear integral equation. The advantage of a previously introduced variational technique which utilizes a stepwise constant trial function is exploited to cope with the nonlinear problem. The method is simple and straightforward. Rapid convergence is obtained by employing a linear interpolation of the iterative solutions. Using absorption coefficients of the Milne-Eddington type, which are applicable to some planetary atmospheric radiation problems. Solutions are found in terms of temperature and radiative flux. These solutions are presented numerically and show excellent agreement with other numerical solutions.

Stepwise Hydrogen Atom and Proton Transfers in Dioxygen Reduction by Aryl-Alcohol Oxidase.

PubMed

Carro, Juan; Ferreira, Patricia; Martínez, Angel T; Gadda, Giovanni

2018-03-20

The mechanism of dioxygen reduction by the flavoenzyme aryl-alcohol oxidase was investigated with kinetic isotope, viscosity, and pL (pH/pD) effects in rapid kinetics experiments by stopped-flow spectrophotometry of the oxidative half-reaction of the enzyme. Double mixing of the enzyme in a stopped-flow spectrophotometer with [α- 2 H 2 ]- p-methoxybenzyl alcohol and oxygen at varying aging times established a slow rate constant of 0.0023 s -1 for the wash-out of the D atom from the N5 atom of the reduced flavin. Thus, the deuterated substrate could be used to probe the cleavage of the N-H bond of the reduced flavin in the oxidative half-reaction. A significant and pH-independent substrate kinetic isotope effect (KIE) of 1.5 between pH 5.0 and 8.0 demonstrated that H transfer is partially limiting the oxidative half-reaction of the enzyme; a negligible solvent KIE of 1.0 between pD 5.0 and 8.0 proved a fast H + transfer reaction that does not contribute to determining the flavin oxidation rates. Thus, a mechanism for dioxygen reduction in which the H atom originating from the reduced flavin and a H + from a solvent exchangeable site are transferred in separate kinetic steps is proposed. The spectroscopic and kinetic data presented also showed a lack of stabilization of transient flavin intermediates. The substantial differences in the mechanistic details of O 2 reduction by aryl-alcohol oxidase with respect to other alcohol oxidases like choline oxidase, pyranose 2-oxidase, and glucose oxidase further demonstrate the high level of versatility of the flavin cofactor in flavoenzymes.

ATP and magnesium promote cotton short-form ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) activase hexamer formation at low micromolar concentrations.

PubMed

Kuriata, Agnieszka M; Chakraborty, Manas; Henderson, J Nathan; Hazra, Suratna; Serban, Andrew J; Pham, Tuong V T; Levitus, Marcia; Wachter, Rebekka M

2014-11-25

We report a fluorescence correlation spectroscopy (FCS) study of the assembly pathway of the AAA+ protein ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) activase (Rca), a ring-forming ATPase responsible for activation of inhibited Rubisco complexes for biological carbon fixation. A thermodynamic characterization of simultaneously populated oligomeric states appears critical in understanding Rca structure and function. Using cotton β-Rca, we demonstrate that apparent diffusion coefficients vary as a function of concentration, nucleotide, and cation. Using manual fitting procedures, we provide estimates for the equilibrium constants for the stepwise assembly and find that in the presence of ATPγS, the Kd for hexamerization is 10-fold lower than with ADP (∼0.1 vs ∼1 μM). Hexamer fractions peak at 30 μM and dominate at 8-70 μM Rca, where they comprise 60-80% of subunits with ATPγS, compared with just 30-40% with ADP. Dimer fractions peak at 1-4 μM Rca, where they comprise 15-18% with ATPγS and 26-28% with ADP. At 30 μM Rca, large aggregates begin to form that comprise ∼10% of total protein with ATPγS and ∼25% with ADP. FCS data collected on the catalytically impaired WalkerB-D173N variant in the presence of ATP provided strong support for these results. Titration with free magnesium ions lead to the disaggregation of larger complexes in favor of hexameric forms, suggesting that a second magnesium binding site with a Kd value of 1-3 mM mediates critical subunit contacts. We propose that closed-ring toroidal hexameric forms are stabilized by binding of Mg·ATP plus Mg2+, whereas Mg·ADP promotes continuous assembly to supramolecular aggregates such as spirals.

Dehydration kinetics and thermochemistry of selected hydrous phases, and simulated gas release pattern in carbonaceous chondrites

NASA Technical Reports Server (NTRS)

Bose, Kunal; Ganguly, J.

1992-01-01

As part of our continued program of study on the volatile bearing phases and volatile resource potential of carbonaceous chondrite, results of our experimental studies on the dehydration kinetics of talc as a function of temperature and grain size (50 to 0.5 microns), equilibrium dehydration boundary of talc to 40 kbars, calorimetric study of enthalpy of formation of both natural and synthetic talc as a function of grain size, and preliminary results on the dehydration kinetics of epsomite are reported. In addition, theoretical calculations on the gas release pattern of Murchison meteorite, which is a C2(CM) carbonaceous chondrite, were performed. The kinetic study of talc leads to a dehydration rate constant for 40-50 microns size fraction of k = (3.23 x 10(exp 4))exp(-Q/RT)/min with the activation energy Q = 376 (plus or minus 20) kJ/mole. The dehydration rate was found to increase somewhat with decreasing grain size. The enthalpy of formation of talc from elements was measured to be -5896(10) kJ/mol. There was no measurable effect of grain size on the enthalpy beyond the limits of precision of the calorimetric studies. Also the calorimetric enthalpy of both synthetic and natural talc was found to be essentially the same, within the precision of measurements, although the natural talc had a slightly larger field of stability in our phase equilibrium studies. The high pressure experimental data the dehydration equilibrium of talc (talc = enstatite + coesite + H2O) is in strong disagreement with that calculated from the available thermochemical data, which were constrained to fit the low pressure experimental results. The calculated gas release pattern of Murchison meteorite were in reasonable agreement with that determined by stepwise heating in a gas chromatograph.

The length of the linker between the epidermal growth factor-like domains in factor VIIa is critical for a productive interaction with tissue factor.

PubMed

Persson, Egon; Madsen, Jesper J; Olsen, Ole H

2014-12-01

Formation of the factor VIIa (FVIIa)-tissue factor (TF) complex triggers the blood coagulation cascade. Using a structure-based rationale, we investigated how the length of the linker region between the two epidermal growth factor (EGF)-like domains in FVIIa influences TF binding and the allosteric activity enhancement, as well as the interplay between the γ-carboxyglutamic acid (Gla)-containing and protease domains. Removal of two residues from the native linker was compatible with normal cofactor binding and accompanying stimulation of the enzymatic activity, as was extension by two (Gly-Ser) residues. In sharp contrast, truncation by three or four residues abolished the TF-mediated stabilization of the active conformation of FVIIa and abrogated TF-induced activity enhancement. In addition, FVIIa variants with short linkers associated 80-fold slower with soluble TF (sTF) as compared with wild-type FVIIa, resulting in a corresponding increase in the equilibrium dissociation constant. Molecular modeling suggested that the shortest FVIIa variants would have to be forced into a tense and energetically unfavorable conformation in order to be able to interact productively with TF, explaining our experimental observations. We also found a correlation between linker length and the residual intrinsic enzymatic activity of Ca(2+)-free FVIIa; stepwise truncation resulting in gradually higher activity with des(83-86)-FVIIa reaching the level of Gla-domainless FVIIa. The linker appears to determine the average distance between the negatively charged Gla domain and a structural element in the protease domain, presumably of opposite charge, and proximity has a negative impact on apo-FVIIa activity. © 2014 The Protein Society.

Nonlinear stability in reaction-diffusion systems via optimal Lyapunov functions

NASA Astrophysics Data System (ADS)

Lombardo, S.; Mulone, G.; Trovato, M.

2008-06-01

We define optimal Lyapunov functions to study nonlinear stability of constant solutions to reaction-diffusion systems. A computable and finite radius of attraction for the initial data is obtained. Applications are given to the well-known Brusselator model and a three-species model for the spatial spread of rabies among foxes.

NON-BLOCKING STABILIZED FEED BACK AMPLIFIER

DOEpatents

Fairstein, E.

1960-03-01

A plural stuge nonblocking degenerative feed-back amplifier was designed particularly suitable for counting circuits because of the stability and linearity in operation, characterized by the fact that the inltial stage employs a cathode coupled input circuit fed from a cathode follower and the final stage has a tline constant greater than those of the other stages.

a Numerical Method for Stability Analysis of Pinned Flexible Mechanisms

NASA Astrophysics Data System (ADS)

Beale, D. G.; Lee, S. W.

1996-05-01

A technique is presented to investigate the stability of mechanisms with pin-jointed flexible members. The method relies on a special floating frame from which elastic link co-ordinates are defined. Energies are easily developed for use in a Lagrange equation formulation, leading to a set of non-linear and mixed ordinary differential-algebraic equations of motion with constraints. Stability and bifurcation analysis is handled using a numerical procedure (generalized co-ordinate partitioning) that avoids the tedious and difficult task of analytically reducing the system of equations to a number equalling the system degrees of freedom. The proposed method was then applied to (1) a slider-crank mechanism with a flexible connecting rod and crank of constant rotational speed, and (2) a four-bar linkage with a flexible coupler with a constant speed crank. In both cases, a single pinned-pinned beam bending mode is employed to develop resonance curves and stability boundaries in the crank length-crank speed parameter plane. Flip and fold bifurcations are common occurrences in both mechanisms. The accuracy of the proposed method was also verified by comparison with previous experimental results [1].

Influence of temperature and preserving agents on the stability of cornelian cherries anthocyanins.

PubMed

Moldovan, Bianca; David, Luminiţa

2014-06-17

Cornelian cherry (Cornus mas L.) fruits are known for their significant amounts of anthocyanins which can be used as natural food colorants. The storage stability of anthocyanins from these fruit extracts, at different temperatures (2 °C, 25 °C and 75 °C), pH 3.02, in the presence of two of the most widely employed food preserving agents (sodium benzoate and potassium sorbate) was investigated. The highest stability was exhibited by the anthocyanin extract stored at 2 °C without any added preservative, with half-life and constant rate values of 1443.8 h and 0.48 × 10(-3) h(-1), respectively. The highest value of the degradation rate constant (82.76 × 10(-3)/h) was obtained in the case of anthocyanin extract stored at 75 °C without any added preservative. Experimental results indicate that the storage degradation of anthocyanins followed first-order reaction kinetics under each of the investigated conditions. In aqueous solution, the food preservatives used were found to have a slight influence on the anthocyanins' stability.

Ultrahigh Molecular Weight Aromatic Siloxane Polymers

NASA Technical Reports Server (NTRS)

Ludwick, L. M.

1983-01-01

Silphenylene-siloxane polymers can be prepared by a condensation reaction of a diol 1,4-bis(hydroxydimethylsilyl)benzene and a silane bis(dimethylamino)dimethylsilane. Using a stepwise condensation technique, a polymer (R=CH3) with a molecular weight in excess of 1.0 x 1 million has been produced. The polymer exhibits increased thermal stability, compared to a methyl siloxane polymer without the aromatic phenyl ring in the backbone. The use of bis(dimethylamino)methylvinylsilane should allow for ready crosslinking at the vinyl sites (R=-CH=CH2) introduced into the backbone. However, under the conditions of the reaction system a high molecular weight polymer was not obtained or the polymer underwent a crosslinking process during the synthesis.

Step-wise refolding of recombinant proteins.

PubMed

Tsumoto, Kouhei; Arakawa, Tsutomu; Chen, Linda

2010-04-01

Protein refolding is still on trial-and-error basis. Here we describe step-wise dialysis refolding, in which denaturant concentration is altered in step-wise fashion. This technology controls the folding pathway by adjusting the concentrations of the denaturant and other solvent additives to induce sequential folding or disulfide formation.

Towards natural inflation from weakly coupled heterotic string theory

NASA Astrophysics Data System (ADS)

Abe, Hiroyuki; Kobayashi, Tatsuo; Otsuka, Hajime

2015-06-01

We propose natural inflation from the heterotic string theory on the "Swiss-Cheese" Calabi-Yau manifold with multiple U(1) magnetic fluxes. Such multiple U(1) magnetic fluxes stabilize the same number of the linear combination of the universal axion and Kähler axions, and one of the Kähler axions is identified as the inflaton. This axion decay constant can be determined by the size of one-loop corrections to the gauge kinetic function of the hidden gauge groups, which leads effectively to the trans-Planckian axion decay constant consistent with the Planck data. During the inflation, the real parts of the moduli are also stabilized by employing the nature of the "Swiss-Cheese" Calabi-Yau manifold.

Prediction of in vivo developmental toxicity by combination of Hand1-Luc embryonic stem cell test and metabolic stability test with clarification of metabolically inapplicable candidates.

PubMed

Nagahori, Hirohisa; Suzuki, Noriyuki; Le Coz, Florian; Omori, Takashi; Saito, Koichi

2016-09-30

Hand1-Luc Embryonic Stem Cell Test (Hand1-Luc EST) is a promising alternative method for evaluation of developmental toxicity. However, the problems of predictivity have remained due to appropriateness of the solubility, metabolic system, and prediction model. Therefore, we assessed the usefulness of rat liver S9 metabolic stability test using LC-MS/MS to develop new prediction model. A total of 71 chemicals were analyzed by measuring cytotoxicity and differentiation toxicity, and highly reproducible (CV=20%) results were obtained. The first prediction model was developed by discriminant analysis performed on a full dataset using Hand1-Luc EST, and 66.2% of the chemicals were correctly classified by the cross-validated classification. A second model was developed with additional descriptors obtained from the metabolic stability test to calculate hepatic availability, and an accuracy of 83.3% was obtained with applicability domain of 50.7% (=36/71) after exclusion of 22 metabolically inapplicable candidates, which potentially have a metabolic activation property. A step-wise prediction scheme with combination of Hand1-Luc EST and metabolic stability test was therefore proposed. The current results provide a promising in vitro test method for accurately predicting in vivo developmental toxicity. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Body sway adaptation to addition but not withdrawal of stabilizing visual information is delayed by a concurrent cognitive task.

PubMed

Honeine, Jean-Louis; Crisafulli, Oscar; Schieppati, Marco

2017-02-01

The aim of this study was to test the effects of a concurrent cognitive task on the promptness of the sensorimotor integration and reweighting processes following addition and withdrawal of vision. Fourteen subjects stood in tandem while vision was passively added and removed. Subjects performed a cognitive task, consisting of counting backward in steps of three, or were "mentally idle." We estimated the time intervals following addition and withdrawal of vision at which body sway began to change. We also estimated the time constant of the exponential change in body oscillation until the new level of sway was reached, consistent with the current visual state. Under the mentally idle condition, mean latency was 0.67 and 0.46 s and the mean time constant was 1.27 and 0.59 s for vision addition and withdrawal, respectively. Following addition of vision, counting backward delayed the latency by about 300 ms, without affecting the time constant. Following withdrawal, counting backward had no significant effect on either latency or time constant. The extension by counting backward of the time interval to stabilization onset on addition of vision suggests a competition for allocation of cortical resources. Conversely, the absence of cognitive task effect on the rapid onset of destabilization on vision withdrawal, and on the relevant reweighting time course, advocates the intervention of a subcortical process. Diverting attention from a challenging standing task discloses a cortical supervision on the process of sensorimotor integration of new balance-stabilizing information. A subcortical process would instead organize the response to removal of the stabilizing sensory input. NEW & NOTEWORTHY This study is the first to test the effect of an arithmetic task on the time course of balance readjustment following visual withdrawal or addition. Performing such a cognitive task increases the time delay following addition of vision but has no effect on withdrawal dynamics. This suggests that sensorimotor integration following addition of a stabilizing signal is performed at a cortical level, whereas the response to its withdrawal is "automatic" and accomplished at a subcortical level. Copyright © 2017 the American Physiological Society.

Continuous Adaptive Population Reduction (CAPR) for Differential Evolution Optimization.

PubMed

Wong, Ieong; Liu, Wenjia; Ho, Chih-Ming; Ding, Xianting

2017-06-01

Differential evolution (DE) has been applied extensively in drug combination optimization studies in the past decade. It allows for identification of desired drug combinations with minimal experimental effort. This article proposes an adaptive population-sizing method for the DE algorithm. Our new method presents improvements in terms of efficiency and convergence over the original DE algorithm and constant stepwise population reduction-based DE algorithm, which would lead to a reduced number of cells and animals required to identify an optimal drug combination. The method continuously adjusts the reduction of the population size in accordance with the stage of the optimization process. Our adaptive scheme limits the population reduction to occur only at the exploitation stage. We believe that continuously adjusting for a more effective population size during the evolutionary process is the major reason for the significant improvement in the convergence speed of the DE algorithm. The performance of the method is evaluated through a set of unimodal and multimodal benchmark functions. In combining with self-adaptive schemes for mutation and crossover constants, this adaptive population reduction method can help shed light on the future direction of a completely parameter tune-free self-adaptive DE algorithm.

Preliminary Results Obtained from Flight Test of a Rocket Model Having the Tail Only of the Grumman XF10F Airplane Configuration, TED No. NACA DE 354

NASA Technical Reports Server (NTRS)

Gardner, William N.; Edmondson, James L.

1950-01-01

A flight test was made to determine the servoplane effectiveness and stability characteristics of the free-floating horizontal stabilizer to be used on the XF10F airplane. The results of this test indicate that servoplane effectiveness is practically constant through the speed range up to a Mach number of 1.15, and the stabilizer static stability is satisfactory. A loss of damping occurs over a narrow Mach number range near M = 1.0, resulting in dynamic instability of the stabilizer in this narrow range. Above M = 1.0 there is a gradual positive trim change of the stabilizer.

Characterization of Actinides Complexed to Nuclear Fuel Constituents Using ESI-MS.

PubMed

McDonald, Luther W; Campbell, James A; Vercouter, Thomas; Clark, Sue B

2016-03-01

Electrospray ionization-mass spectrometry (ESI-MS) was tested for its use in monitoring spent nuclear fuel (SNF) constituents including U, Pu, dibutyl phosphate (DBP), and tributyl phosphate (TBP). Both positive and negative ion modes were used to evaluate the speciation of U and Pu with TBP and DBP. Furthermore, apparent stability constants were determined for U complexed to TBP and DBP. In positive ion mode, TBP produced a strong signal with and without complexation to U or Pu, but, in negative ion mode, no TBP, U-TBP, or Pu-TBP complexes were observed. Apparent stability constants were determined for [UO2(NO3)2(TBP)2], [UO2(NO3)2(H2O)(TBP)2], and [UO2(NO3)2(TBP)3]. In contrast DBP, U-DBP, and Pu-DBP complexes were observed in both positive and negative ion modes. Apparent stability constants were determined for the species [UO2(DBP)], [UO2(DBP)3], and [UO2(DBP)4]. Analyzing mixtures of U or Pu with TBP and DBP yielded the formation of ternary complexes whose stoichiometry was directly related to the ratio of TBP to DBP. The ESI-MS protocols used in this study will further demonstrate the utility of ESI-MS and its applicability to process control monitoring in SNF reprocessing facilities.

DNA interaction with naturally occurring antioxidant flavonoids quercetin, kaempferol, and delphinidin.

PubMed

Kanakis, C D; Tarantilis, P A; Polissiou, M G; Diamantoglou, S; Tajmir-Riahi, H A

2005-06-01

Flavonoids are strong antioxidants that prevent DNA damage. The anticancer and antiviral activities of these natural products are implicated in their mechanism of actions. However, there has been no information on the interactions of these antioxidants with individual DNA at molecular level. This study was designed to examine the interaction of quercetin (que), kaempferol (kae), and delphinidin (del) with calf-thymus DNA in aqueous solution at physiological conditions, using constant DNA concentration (6.5 mmol) and various drug/DNA(phosphate) ratios of 1/65 to 1. FTIR and UV-Visible difference spectroscopic methods are used to determine the drug binding sites, the binding constants and the effects of drug complexation on the stability and conformation of DNA duplex. Structural analysis showed quercetin, kaempferol, and delphinidin bind weakly to adenine, guanine (major groove), and thymine (minor groove) bases, as well as to the backbone phosphate group with overall binding constants K(que) = 7.25 x 10(4)M(-1), K(kae) = 3.60 x 10(4)M(-1), and K(del) = 1.66 x 10(4)M(-1). The stability of adduct formation is in the order of que>kae>del. Delphinidin with a positive charge induces more stabilizing effect on DNA duplex than quercetin and kaempferol. A partial B to A-DNA transition occurs at high drug concentrations.

Effects of packaging and heat transfer kinetics on drug-product stability during storage under uncontrolled temperature conditions.

PubMed

Nakamura, Toru; Yamaji, Takayuki; Takayama, Kozo

2013-05-01

To predict the stability of pharmaceutical preparations under uncontrolled temperature conditions accurately, a method to compute the average reaction rate constant taking into account the heat transfer from the atmosphere to the product was developed. The average reaction rate constants computed with taken into consideration heat transfer (κ(re) ) were then compared with those computed without taking heat transfer into consideration (κ(in) ). The apparent thermal diffusivity (κ(a) ) exerted some influence on the average reaction rate constant ratio (R, R = κ(re) /κ(in) ). In the regions where the κ(a) was large (above 1 h(-1) ) or very small, the value of R was close to 1. On the contrary, in the middle region (0.001-1 h(-1) ), the value of R was less than 1.The κ(a) of the central part of a large-size container and that of the central part of a paper case of 10 bottles of liquid medicine (100 mL) fell within this middle region. On the basis of the above-mentioned considerations, heat transfer may need to be taken into consideration to enable a more accurate prediction of the stability of actual pharmaceutical preparations under nonisothermal atmospheres. Copyright © 2013 Wiley Periodicals, Inc.

Into the theory of the partial-filling affinity capillary electrophoresis and the determination of apparent stability constants of analyte-ligand complexes.

PubMed

Ansorge, Martin; Dubský, Pavel; Ušelová, Kateřina

2018-03-01

The partial-filling affinity capillary electrophoresis (pf-ACE) works with a ligand present in a background electrolyte that forms a weak complex with an analyte. In contrast to a more popular mobility-shift affinity capillary electrophoresis, only a short plug of the ligand is introduced into a capillary in the pf-ACE. Both methods can serve for determining apparent stability constants of the formed complexes but this task is hindered in the pf-ACE by the fact that the analyte spends only a part of its migration time in a contact with the ligand. In 1998, Amini and Westerlund published a linearization strategy that allows for extracting an effective mobility of an analyte in the presence of a neutral ligand out of the pf-ACE data. The main purpose of this paper is to show that the original formula is only approximate. We derive a new formula and demonstrate its applicability by means of computer simulations. We further inspect several strategies of data processing in the pf-ACE regarding a risk of an error propagation. This establishes a good practice of determining apparent stability constants of analyte-ligand complexes by means of the pf-ACE. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stability and Optimal Harvesting of Modified Leslie-Gower Predator-Prey Model

NASA Astrophysics Data System (ADS)

Toaha, S.; Azis, M. I.

2018-03-01

This paper studies a modified of dynamics of Leslie-Gower predator-prey population model. The model is stated as a system of first order differential equations. The model consists of one predator and one prey. The Holling type II as a predation function is considered in this model. The predator and prey populations are assumed to be beneficial and then the two populations are harvested with constant efforts. Existence and stability of the interior equilibrium point are analysed. Linearization method is used to get the linearized model and the eigenvalue is used to justify the stability of the interior equilibrium point. From the analyses, we show that under a certain condition the interior equilibrium point exists and is locally asymptotically stable. For the model with constant efforts of harvesting, cost function, revenue function, and profit function are considered. The stable interior equilibrium point is then related to the maximum profit problem as well as net present value of revenues problem. We show that there exists a certain value of the efforts that maximizes the profit function and net present value of revenues while the interior equilibrium point remains stable. This means that the populations can live in coexistence for a long time and also maximize the benefit even though the populations are harvested with constant efforts.

[In-vitro evaluation of cinnarizine as a competing agent to beta-cyclodextrin inclusion complexes: effect of cinnarizine on the membrane permeation rate of progesterone from its beta-cyclodextrin inclusion complex].

PubMed

Muraoka, Atsushi; Tokumura, Tadakazu; Machida, Yoshiharu

2008-01-01

The use of competing agents is considered a powerful tool for the development of a drug-delivery system with drug/cyclodextrin inclusion complexes. However, there are very few studies examining this issue. To explain this phenomenon, it was thought that a competing agent with a sufficiently high stability constant had not yet been reported. In this study, cinnarizine (CN), which has a high stability constant with beta-cyclodextrin (beta-CD) and unique solubility characteristics, was selected, and its ability as a competing agent was examined in a membrane permeability study. The permeability study showed that the permeation rates of the drugs flurbiprofen, progesterone, and spironolactone decreased with their stability constants with the addition of beta-CD. In one of the drugs, progesterone (Pro), the decrease was restored by the addition of CN. The amount of CN added was a 1:1 molar ratio to the amount of Pro. However, no similar action was induced with the addition of DL-phenylalanine (Phe) in the permeation study at the 1:5 (Pro:Phe) molar ratio. These finding indicate that CN acts as a competing agent, and its action is much stronger than that of Phe.

Economic evaluation of flying-qualities design criteria for a transport configured with relaxed static stability

NASA Technical Reports Server (NTRS)

Sliwa, S. M.

1980-01-01

Direct constrained parameter optimization was used to optimally size a medium range transport for minimum direct operating cost. Several stability and control constraints were varied to study the sensitivity of the configuration to specifying the unaugmented flying qualities of transports designed to take maximum advantage of relaxed static stability augmentation systems. Additionally, a number of handling qualities related design constants were studied with respect to their impact on the design.

Theoretical considerations of some nonlinear aspects of hypersonic panel flutter

NASA Technical Reports Server (NTRS)

Mcintosh, S. C., Jr.

1974-01-01

A research project to analyze the effects of hypersonic nonlinear aerodynamic loading on panel flutter is reported. The test equipment and procedures for conducting the tests are explained. The effects of aerodynamic linearities on stability were evaluated by determining constant-initial-energy amplitude-sensitive stability boundaries and comparing them with the corresponding linear stability boundaries. An attempt to develop an alternative method of analysis for systems where amplitude-sensitive instability is possible is presented.

The essential spectrum of Schrödinger operators with asymptotically constant magnetic fields on the Poincaré upper-half plane

NASA Astrophysics Data System (ADS)

Inahama, Yuzuru; Shirai, Shin-ichi

2003-01-01

We study the essential spectrum of the magnetic Schrödinger operators on the Poincaré upper-half plane and establish a hyperbolic analog of Iwatsuka's result [J. Math. Kyoto Univ. 23(3), 475-480 (1983)] on the stability of the essential spectrum under perturbations from constant magnetic fields.

Kinetic Analysis of Haloacetonitrile Stability in Drinking Waters.

PubMed

Yu, Yun; Reckhow, David A

2015-09-15

Haloacetonitriles (HANs) are an important class of drinking water disinfection byproducts (DBPs) that are reactive and can undergo considerable transformation on time scales relevant to system distribution (i.e., from a few hours to a week or more). The stability of seven mono-, di-, and trihaloacetonitriles was examined under a variety of conditions including different pH levels and disinfectant doses that are typical of drinking water distribution systems. Results indicated that hydroxide, hypochlorite, and their protonated forms could react with HANs via nucleophilic attack on the nitrile carbon, forming the corresponding haloacetamides (HAMs) and haloacetic acids (HAAs) as major reaction intermediates and end products. Other stable intermediate products, such as the N-chloro-haloacetamides (N-chloro-HAMs), may form during the course of HAN chlorination. A scheme of pathways for the HAN reactions was proposed, and the rate constants for individual reactions were estimated. Under slightly basic conditions, hydroxide and hypochlorite are primary reactants and their associated second-order reaction rate constants were estimated to be 6 to 9 orders of magnitude higher than those of their protonated conjugates (i.e., neutral water and hypochlorous acid), which are much weaker but more predominant nucleophiles at neutral and acidic pHs. Developed using the estimated reaction rate constants, the linear free energy relationships (LFERs) summarized the nucleophilic nature of HAN reactions and demonstrated an activating effect of the electron withdrawing halogens on nitrile reactivity, leading to decreasing HAN stability with increasing degree of halogenation of the substituents, while subsequent shift from chlorine to bromine atoms has a contrary stabilizing effect on HANs. The chemical kinetic model together with the reaction rate constants that were determined in this work can be used for quantitative predictions of HAN concentrations depending on pH and free chlorine contact times (CTs), which can be applied as an informative tool by drinking water treatment and system management engineers to better control these emerging nitrogenous DBPs, and can also be significant in making regulatory decisions.

Stepwise Guided Photorefractive Keratectomy in Treatment of Irregular Astigmatism After Penetrating Keratoplasty and Deep Anterior Lamellar Keratoplasty.

PubMed

Sorkin, Nir; Einan-Lifshitz, Adi; Abelson, Sagi; Boutin, Tanguy; Showail, Mahmood; Borovik, Armand; Ashkenazy, Zach; Chan, Clara C; Rootman, David S

2017-11-01

To report the outcome of stepwise ablation using topography-guided photorefractive keratectomy to treat irregular astigmatism after either penetrating keratoplasty (PKP) or deep anterior lamellar keratoplasty (DALK). This is a retrospective, interventional analysis including patients with irregular astigmatism after either PKP or DALK, who underwent topography-guided photorefractive keratectomy. The entire cohort was analyzed, as well as the PKP and DALK groups separately. Analysis of factors associated with a better outcome was also performed. Thirty-four eyes of 34 patients (20 PKP patients and 14 DALK patients) aged 47.4 ± 15.9 years were included. Twenty-one patients underwent more than 1 ablation. Refractive stability and a minimal period of 5 months were required before repeat ablation. The average follow-up duration was 17.0 ± 6.0 months. Corrected distance visual acuity (CDVA) improved significantly from 0.22 ± 0.14 logarithm of the minimum angle of resolution (logMAR) to 0.14 ± 0.12 logMAR at final follow-up (P = 0.035). Uncorrected distance visual acuity (UDVA) improved significantly from 0.90 ± 0.54 logMAR to 0.57 ± 0.40 logMAR at final follow-up (P = 0.004). CDVA and UDVA improved by ≥1 Snellen lines in 54.2% and 70.8% of the eyes, respectively, and by ≥3 Snellen lines in 16.7% and 54.2% of the eyes, respectively. Statistically significant improvement was seen in optical aberrometry indices (total root mean square, higher-order aberration root mean square, defocus, coma, trefoil, and spherical aberration). The difference between PKP and DALK in either CDVA (P = 0.562) or UDVA (P = 0.384) improvement was nonsignificant. The stepwise topography-guided photorefractive keratectomy approach in cases of irregular astigmatism after PKP or DALK can help improve visual acuity outcomes. Patients should be appropriately counseled that more than 1 treatment will likely be needed.

Diels–Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States

PubMed Central

2015-01-01

Multiconfigurational complete active space methods (CASSCF and CASPT2) have been used to investigate the (4 + 2) cycloadditions of allene with butadiene and with benzene. Both concerted and stepwise radical pathways were examined to determine the mechanism of the Diels–Alder reactions with an allene dienophile. Reaction with butadiene occurs via a single ambimodal transition state that can lead to either the concerted or stepwise trajectories along the potential energy surface, while reaction with benzene involves two separate transition states and favors the concerted mechanism relative to the stepwise mechanism via a diradical intermediate. PMID:25216056

Environmental degradation of Opalinus Clay with cyclic variations in relative humidity

NASA Astrophysics Data System (ADS)

Wild, Katrin; Walter, Patric; Madonna, Claudio; Amann, Florian

2016-04-01

Clay shales are considered as favorable host rocks for nuclear waste repositories due to their low permeability, high sorption capacity and the potential for self-sealing. However, the favorable characteristics of the rock mass may change during tunnel excavation. Excavation is accompanied by stress redistribution and the development of an excavation damage zone. Furthermore, unloading and exposure to atmospheric conditions with a lower relative humidity (RH) causes desaturation of the rock mass close to the tunnel. This leads to shrinkage and the formation of desiccation cracks. During the open drift stage, seasonal atmospheric changes, especially RH variations, may alter the rock mass and influence the long-term crack evolution. This contribution discusses the influence of RH variation on the mechanical behavior of OPA. A series of specimens were exposed to short-term and long-term, stepwise cyclic RH variations between about 60 and 95% at constant temperature. Strains were measured using strain gauges to monitor the volumetric response during RH cycles. After each applied RH cycle, Brazilian tensile strength (BTS) tests were performed to identify whether there is a change in tensile strength due to environmental damage caused by the change in RH. Swelling and shrinkage of the specimens accompanied by irreversible volumetric expansion was observed as a consequence of the exposure to RH cycles. However, the irreversible strain was limited to the direction normal to bedding suggesting that internal damage is restricted along the bedding planes. No significant effect of cyclic RH variations on the BTS of the specimens was observed. The strength parallel to bedding remained constant over several cycles while the strength normal to bedding shows a slightly decreasing trend after 2 cycles. Furthermore, the water retention characteristics of the specimens were not altered significantly during stepwise RH cycling as the evolution of the water content was reversible throughout the cycles. For the RH variation used, the results suggest that the long-term crack evolution around excavations in OPA is not expected to be significantly influenced by environmental degradation but dominated by other processes such as consolidation and creep.

Structure and Dynamics of the tRNA-like Structure Domain of Brome Mosaic Virus

NASA Astrophysics Data System (ADS)

Vieweger, Mario; Nesbitt, David

2014-03-01

Conformational switching is widely accepted as regulatory mechanism in gene expression in bacterial systems. More recently, similar regulation mechanisms are emerging for viral systems. One of the most abundant and best studied systems is the tRNA-like structure domain that is found in a number of plant viruses across eight genera. In this work, the folding dynamics of the tRNA-like structure domain of Brome Mosaic Virus are investigated using single-molecule Fluorescence Resonance Energy Transfer techniques. In particular, Burst fluorescence is applied to observe metal-ion induced folding in freely diffusing RNA constructs resembling the 3'-terminal 169nt of BMV RNA3. Histograms of EFRET probabilities reveal a complex equilibrium of three distinct populations. A step-wise kinetic model for TLS folding is developed in accord with the evolution of conformational populations and structural information in the literature. In this mechanism, formation of functional TLS domains from unfolded RNAs requires two consecutive steps; 1) hybridization of a long-range stem interaction followed by 2) formation of a 3' pseudoknot. This three-state equilibrium is well described by step-wise dissociation constants K1(328(30) μM) and K2(1092(183) μM) for [Mg2+] and K1(74(6) mM) and K2(243(52) mM) for [Na+]-induced folding. The kinetic model is validated by oligo competition with the STEM interaction. Implications of this conformational folding mechanism are discussed in regards to regulation of virus replication.

Distributive Effects of Forest Service Attempts to Maintain Community Stability

Treesearch

Steven E. Daniels; William F. Hyde; David N. Wear

1991-01-01

Community stability is an objective of USDA Forest Service timber sales. This paper examines that objective, and the success the Forest Service can have in attaining it, through its intended maintenance of a constant volume timber harvest schedule. We apply a three-factor, two-sector modified general equilibrium model with empirical evidence from the timber-based...

Predicting Stability Constants for Uranyl Complexes Using Density Functional Theory

DOE PAGES

Vukovic, Sinisa; Hay, Benjamin P.; Bryantsev, Vyacheslav S.

2015-04-02

The ability to predict the equilibrium constants for the formation of 1:1 uranyl:ligand complexes (log K 1 values) provides the essential foundation for the rational design of ligands with enhanced uranyl affinity and selectivity. We also use density functional theory (B3LYP) and the IEFPCM continuum solvation model to compute aqueous stability constants for UO 2 2+ complexes with 18 donor ligands. Theoretical calculations permit reasonably good estimates of relative binding strengths, while the absolute log K 1 values are significantly overestimated. Accurate predictions of the absolute log K 1 values (root mean square deviation from experiment < 1.0 for logmore » K 1 values ranging from 0 to 16.8) can be obtained by fitting the experimental data for two groups of mono and divalent negative oxygen donor ligands. The utility of correlations is demonstrated for amidoxime and imide dioxime ligands, providing a useful means of screening for new ligands with strong chelate capability to uranyl.« less

Stability of half-metallic behavior with lattice variation for Fe2MnZ (Z = Si, Ge, Sn) Heusler alloy

NASA Astrophysics Data System (ADS)

Jain, Vivek Kumar; Lakshmi, N.; Jain, Rakesh

2018-05-01

The electronic structure and magnetic properties with variation of lattice constant for Fe2MnZ (Z = Si, Ge, Sn) Heusler alloys have been studied. Optimized lattice constant are found to be 5.59, 5.69, 6.00 Å for Z= Si, Ge and Sn respectively. Total magnetic moments of the alloys are ˜3 µB as predicted by the Slater Pauling rule and is maintained over a wide range of lattice variation for all three alloys. Half metallic ferromagnetic nature with 100% spin polarization is observed for Fe2MnSi for a lattice range from 5.40-5.70 Å. Fe2MnGe and Fe2MnSn show ferromagnetic and metallic natures with more than 90% spin polarization over a wide range of lattice constant. Due to the stability of half metallic character of these alloys with respect to variation in the lattice parameters, they are promising robust materials suitable for spintronics device applications.

Improved Variable Selection Algorithm Using a LASSO-Type Penalty, with an Application to Assessing Hepatitis B Infection Relevant Factors in Community Residents

PubMed Central

Guo, Pi; Zeng, Fangfang; Hu, Xiaomin; Zhang, Dingmei; Zhu, Shuming; Deng, Yu; Hao, Yuantao

2015-01-01

Objectives In epidemiological studies, it is important to identify independent associations between collective exposures and a health outcome. The current stepwise selection technique ignores stochastic errors and suffers from a lack of stability. The alternative LASSO-penalized regression model can be applied to detect significant predictors from a pool of candidate variables. However, this technique is prone to false positives and tends to create excessive biases. It remains challenging to develop robust variable selection methods and enhance predictability. Material and methods Two improved algorithms denoted the two-stage hybrid and bootstrap ranking procedures, both using a LASSO-type penalty, were developed for epidemiological association analysis. The performance of the proposed procedures and other methods including conventional LASSO, Bolasso, stepwise and stability selection models were evaluated using intensive simulation. In addition, methods were compared by using an empirical analysis based on large-scale survey data of hepatitis B infection-relevant factors among Guangdong residents. Results The proposed procedures produced comparable or less biased selection results when compared to conventional variable selection models. In total, the two newly proposed procedures were stable with respect to various scenarios of simulation, demonstrating a higher power and a lower false positive rate during variable selection than the compared methods. In empirical analysis, the proposed procedures yielding a sparse set of hepatitis B infection-relevant factors gave the best predictive performance and showed that the procedures were able to select a more stringent set of factors. The individual history of hepatitis B vaccination, family and individual history of hepatitis B infection were associated with hepatitis B infection in the studied residents according to the proposed procedures. Conclusions The newly proposed procedures improve the identification of significant variables and enable us to derive a new insight into epidemiological association analysis. PMID:26214802

Stepwise Analysis of Differential Item Functioning Based on Multiple-Group Partial Credit Model.

ERIC Educational Resources Information Center

Muraki, Eiji

1999-01-01

Extended an Item Response Theory (IRT) method for detection of differential item functioning to the partial credit model and applied the method to simulated data using a stepwise procedure. Then applied the stepwise DIF analysis based on the multiple-group partial credit model to writing trend data from the National Assessment of Educational…

Development of an Atmospheric Dispersion Model for Heavier-Than-Air Gas Mixtures. Volume 3. DEGADIS User’s Manual.

DTIC Science & Technology

1985-05-01

interpolates between a pair of points based on a list of supplied values (C-2). () ALP estimates the ambient wind profile power a by minimizing the integral...Typical Values of Surface Roughness 7 1.2. Representative Konin-Obukhov Lengths arnd Power Law Exponents for Different Atmospheric Stabilities 8 IV.1...a constant in power law wind profile 0 constant in a correlation r gama function 𔄁 ratio of (p - pa)/Cc 6 constant in a correlation y AMonin-Obukhov

Force and Stress along Simulated Dissociation Pathways of Cucurbituril-Guest Systems.

PubMed

Velez-Vega, Camilo; Gilson, Michael K

2012-03-13

The field of host-guest chemistry provides computationally tractable yet informative model systems for biomolecular recognition. We applied molecular dynamics simulations to study the forces and mechanical stresses associated with forced dissociation of aqueous cucurbituril-guest complexes with high binding affinities. First, the unbinding transitions were modeled with constant velocity pulling (steered dynamics) and a soft spring constant, to model atomic force microscopy (AFM) experiments. The computed length-force profiles yield rupture forces in good agreement with available measurements. We also used steered dynamics with high spring constants to generate paths characterized by a tight control over the specified pulling distance; these paths were then equilibrated via umbrella sampling simulations and used to compute time-averaged mechanical stresses along the dissociation pathways. The stress calculations proved to be informative regarding the key interactions determining the length-force profiles and rupture forces. In particular, the unbinding transition of one complex is found to be a stepwise process, which is initially dominated by electrostatic interactions between the guest's ammoniums and the host's carbonyl groups, and subsequently limited by the extraction of the guest's bulky bicyclooctane moiety; the latter step requires some bond stretching at the cucurbituril's extraction portal. Conversely, the dissociation of a second complex with a more slender guest is mainly driven by successive electrostatic interactions between the different guest's ammoniums and the host's carbonyl groups. The calculations also provide information on the origins of thermodynamic irreversibilities in these forced dissociation processes.

The Longitudinal Stability of Flying Boats as Determined by Tests of Models in the NACA Tank II : Effect of Variations in Form of Hull on Longitudinal Stability

NASA Technical Reports Server (NTRS)

Olson, Roland E.; Truscott, Starr

1942-01-01

Data taken from tests at constant speed to establish trim limits of stability, tests at accelerated speeds to determine stable limits of center of gravity shift, and tests at decelerated speeds to obtain landing characteristics of several model hull forms were used to establish hull design effect on longitudinal stability of porpoising. Results show a reduction of dead rise angle as being the only investigated factor reducing low trim limit. Various methods of reducing afterbody interference increased upper trim limit

Exponential stability of impulsive stochastic genetic regulatory networks with time-varying delays and reaction-diffusion

DOE PAGES

Cao, Boqiang; Zhang, Qimin; Ye, Ming

2016-11-29

We present a mean-square exponential stability analysis for impulsive stochastic genetic regulatory networks (GRNs) with time-varying delays and reaction-diffusion driven by fractional Brownian motion (fBm). By constructing a Lyapunov functional and using linear matrix inequality for stochastic analysis we derive sufficient conditions to guarantee the exponential stability of the stochastic model of impulsive GRNs in the mean-square sense. Meanwhile, the corresponding results are obtained for the GRNs with constant time delays and standard Brownian motion. Finally, an example is presented to illustrate our results of the mean-square exponential stability analysis.

A log-sinh transformation for data normalization and variance stabilization

NASA Astrophysics Data System (ADS)

Wang, Q. J.; Shrestha, D. L.; Robertson, D. E.; Pokhrel, P.

2012-05-01

When quantifying model prediction uncertainty, it is statistically convenient to represent model errors that are normally distributed with a constant variance. The Box-Cox transformation is the most widely used technique to normalize data and stabilize variance, but it is not without limitations. In this paper, a log-sinh transformation is derived based on a pattern of errors commonly seen in hydrological model predictions. It is suited to applications where prediction variables are positively skewed and the spread of errors is seen to first increase rapidly, then slowly, and eventually approach a constant as the prediction variable becomes greater. The log-sinh transformation is applied in two case studies, and the results are compared with one- and two-parameter Box-Cox transformations.

Computer analysis of potentiometric data of complexes formation in the solution

NASA Astrophysics Data System (ADS)

Jastrzab, Renata; Kaczmarek, Małgorzata T.; Tylkowski, Bartosz; Odani, Akira

2018-02-01

The determination of equilibrium constants is an important process for many branches of chemistry. In this review we provide the readers with a discussion on computer methods which have been applied for elaboration of potentiometric experimental data generated during complexes formation in solution. The review describes both: general basis of modeling tools and examples of the use of calculated stability constants.

Is there a step-wise migration in Nigeria? A case study of the migrational histories of migrants in Lagos.

PubMed

Afolayan, A A

1985-09-01

"The paper sets out to test whether or not the movement pattern of people in Nigeria is step-wise. It examines the spatial order in the country and the movement pattern of people. It then analyzes the survey data and tests for the validity of step-wise migration in the country. The findings show that step-wise migration cannot adequately describe all the patterns observed." The presence of large-scale circulatory migration between rural and urban areas is noted. Ways to decrease the pressure on Lagos by developing intermediate urban areas are considered. excerpt

Stability and thermal behavior of molybdenum disulfide nanotubes: Nonequilibrium molecular dynamics simulation using REBO potential

NASA Astrophysics Data System (ADS)

Ahadi, Zohreh; Shadman Lakmehsari, Muhammad; Kumar Singh, Sandeep; Davoodi, Jamal

2017-12-01

This study is an attempt to perform equilibrium molecular dynamics and non-equilibrium molecular dynamics (NEMD) to evaluate the stability and thermal behavior of molybdenum disulfide nanotubes (MoS2NTs) by reactive empirical bond order potential. The stability of nanotubes, cohesive energy, isobaric heat capacity, and enthalpies of fusion in armchair and zigzag structures with different radii were calculated. The observed results illustrate that SWMoS2NTs, which have larger diameters, are more stable with more negative energy than the smaller ones. Moreover, it was found that the melting point is increased with an increase in the nanotube's radius. During the melting process, the structural transformation of nanotubes was investigated using a mean-square displacement and radial distribution function diagrams. Afterwards, using a NEMD simulation, the thermal conductivity of nanotubes with various diameters was calculated at a constant nanotube length. The obtained results show that the thermal conductivity coefficient increases with increasing nanotube diameters when the nanotube length is constant.

Stability and nuclear dynamics of the Bicoid morphogen gradient

PubMed Central

Gregor, Thomas; Wieschaus, Eric F.; McGregor, Alistair P.; Bialek, William; Tank, David W.

2008-01-01

Patterning in multicellular organisms results from spatial gradients in morphogen concentration, but the dynamics of these gradients remains largely unexplored. We characterize, through in vivo optical imaging, the development and stability of the Bicoid morphogen gradient in Drosophila embryos that express a Bicoid-eGFP fusion protein. The gradient is established rapidly (~1 hour after fertilization) with nuclear Bicoid concentration rising and falling during mitosis. Interphase levels result from a rapid equilibrium between Bicoid uptake and removal. Initial interphase concentration in nuclei in successive cycles is constant (±10%), demonstrating a form of gradient stability, but subsequently decays by approximately 30%. Both direct photobleaching measurements and indirect estimates of Bicoid-eGFP diffusion constants (D ≤ 1 μm2/s), provide a consistent picture of Bicoid transport on short (~min) time scales, but challenge traditional models of long range gradient formation. A new model is presented emphasizing the possible role of nuclear dynamics in shaping and scaling the gradient. PMID:17632061

Binding mechanisms for histamine and agmatine ligands in plasmid deoxyribonucleic acid purifications.

PubMed

Sousa, Ângela; Pereira, Patrícia; Sousa, Fani; Queiroz, João A

2014-10-31

Histamine and agmatine amino acid derivatives were immobilized into monolithic disks, in order to combine the specificity and selectivity of the ligand with the high mass transfer and binding capacity offered by monolithic supports, to purify potential plasmid DNA biopharmaceuticals. Different elution strategies were explored by changing the type and salt concentration, as well as the pH, in order to understand the retention pattern of different plasmids isoforms The pVAX1-LacZ supercoiled isoform was isolated from a mixture of pDNA isoforms by using NaCl increasing stepwise gradient and also by ammonium sulfate decreasing stepwise gradient, in both histamine and agmatine monoliths. Acidic pH in the binding buffer mainly strengthened ionic interactions with both ligands in the presence of sodium chloride. Otherwise, for histamine ligand, pH values higher than 7 intensified hydrophobic interactions in the presence of ammonium sulfate. In addition, circular dichroism spectroscopy studies revealed that the binding and elution chromatographic conditions, such as the combination of high ionic strength with extreme pH values can reversibly influence the structural stability of the target nucleic acid. Therefore, ascending sodium chloride gradients with pH manipulation can be preferable chromatographic conditions to be explored in the purification of plasmid DNA biopharmaceuticals, in order to avoid the environmental impact of ammonium sulfate. Copyright © 2014. Published by Elsevier B.V.

Improved separation and size characterization of gold nanoparticles through a novel capillary zone electrophoresis method using poly(sodium4-styrenesulfonate) as stabiliser and a stepwise field strength gradient.

PubMed

Ciriello, Rosanna; Iallorenzi, Pina Teresa; Laurita, Alessandro; Guerrieri, Antonio

2017-03-01

A novel capillary zone electrophoresis (CZE) method was developed for an improved separation and size characterization of pristine gold nanoparticles (AuNP) using uncoated fused-silica capillaries with UV-Vis detection at 520 nm. To avoid colloid aggregation and/or adsorption during runs, poly(sodium 4-styrenesulfonate) (PSS) was added (1%, w/v) in the running buffer (CAPS 10 mM, pH 11). This polyelectrolyte conferred an enhanced stabilization to AuNP, both steric and electrostatic, exalting at the same time their differences in electrophoretic mobility. Resolution was further and successfully improved through a stepwise field strength gradient by the application of 25 kV for the first 5 min and then 10 kV. Migration times varied linearly with particles diameters showing relative standard deviations better than 1% for daily experiments and 3% for interday experiments. A comparison with the size distribution obtained by transmission electron microscopy (TEM) allowed assessing that the electrophoretic profile can reasonably be considered as representative of the effective size heterogeneity of each colloid. Finally, the practical utility of the proposed method was demonstrated by measuring the core diameter of a gold colloid sample produced by chemical synthesis which was in good agreement with the value obtained by TEM measurements. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stabilization of Two Radicals with One Metal: A Stepwise Coupling Model for Copper-Catalyzed Radical–Radical Cross-Coupling

PubMed Central

Qi, Xiaotian; Zhu, Lei; Bai, Ruopeng; Lan, Yu

2017-01-01

Transition metal-catalyzed radical–radical cross-coupling reactions provide innovative methods for C–C and C–heteroatom bond construction. A theoretical study was performed to reveal the mechanism and selectivity of the copper-catalyzed C–N radical–radical cross-coupling reaction. The concerted coupling pathway, in which a C–N bond is formed through the direct nucleophilic addition of a carbon radical to the nitrogen atom of the Cu(II)–N species, is demonstrated to be kinetically unfavorable. The stepwise coupling pathway, which involves the combination of a carbon radical with a Cu(II)–N species before C–N bond formation, is shown to be probable. Both the Mulliken atomic spin density distribution and frontier molecular orbital analysis on the Cu(II)–N intermediate show that the Cu site is more reactive than that of N; thus, the carbon radical preferentially react with the metal center. The chemoselectivity of the cross-coupling is also explained by the differences in electron compatibility of the carbon radical, the nitrogen radical and the Cu(II)–N intermediate. The higher activation free energy for N–N radical–radical homo-coupling is attributed to the mismatch of Cu(II)–N species with the nitrogen radical because the electrophilicity for both is strong. PMID:28272407

The effect of diamic acid additives on the dielectric constant of polyimides

NASA Technical Reports Server (NTRS)

Stoakley, Diane M.; St. Clair, Anne K.

1988-01-01

The effect of six selected diamic acids additives (including 2,2-prime bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride-aniline (An); 4,4-prime-oxydiphthalic anhydride-An, 3,3-prime diaminodiphenyl sulfone-phthalic anhydride (PA); 4,4-prime-oxydianiline-PA; 2,2-bis 4(4-aminophenoxy)phenyl hexafluoropropane-PA; and 2,2-bis 4(3-aminophenoxy)phenyl hexafluoropropane-PA) on the dielectric constants of low-dielectric-constant polyimide resins was evaluated. It was found that the effect of the incorporation of the diamic acids on reducing the dielectric constant of polyimides may be limited as the dielectric constant of the base resin itself becomes very low. The additives were found to lower the resin's values of glass transition temperature, with no effect on thermooxidative stability.

Applications of modern statistical methods to analysis of data in physical science

NASA Astrophysics Data System (ADS)

Wicker, James Eric

Modern methods of statistical and computational analysis offer solutions to dilemmas confronting researchers in physical science. Although the ideas behind modern statistical and computational analysis methods were originally introduced in the 1970's, most scientists still rely on methods written during the early era of computing. These researchers, who analyze increasingly voluminous and multivariate data sets, need modern analysis methods to extract the best results from their studies. The first section of this work showcases applications of modern linear regression. Since the 1960's, many researchers in spectroscopy have used classical stepwise regression techniques to derive molecular constants. However, problems with thresholds of entry and exit for model variables plagues this analysis method. Other criticisms of this kind of stepwise procedure include its inefficient searching method, the order in which variables enter or leave the model and problems with overfitting data. We implement an information scoring technique that overcomes the assumptions inherent in the stepwise regression process to calculate molecular model parameters. We believe that this kind of information based model evaluation can be applied to more general analysis situations in physical science. The second section proposes new methods of multivariate cluster analysis. The K-means algorithm and the EM algorithm, introduced in the 1960's and 1970's respectively, formed the basis of multivariate cluster analysis methodology for many years. However, several shortcomings of these methods include strong dependence on initial seed values and inaccurate results when the data seriously depart from hypersphericity. We propose new cluster analysis methods based on genetic algorithms that overcomes the strong dependence on initial seed values. In addition, we propose a generalization of the Genetic K-means algorithm which can accurately identify clusters with complex hyperellipsoidal covariance structures. We then use this new algorithm in a genetic algorithm based Expectation-Maximization process that can accurately calculate parameters describing complex clusters in a mixture model routine. Using the accuracy of this GEM algorithm, we assign information scores to cluster calculations in order to best identify the number of mixture components in a multivariate data set. We will showcase how these algorithms can be used to process multivariate data from astronomical observations.

β-sheet-like hydrogen bonds interlock the helical turns of a photoswitchable foldamer to enhance the binding and release of chloride.

PubMed

Lee, Semin; Hua, Yuran; Flood, Amar H

2014-09-05

Inspired by halorhodopsin's use of photoisomerization to regulate chloride, aryltriazole-based foldamers have been created to "catch and release" chloride ions upon light irradiation of end-appended azobenzenes. The proposed mode of stabilization exploits a β-sheet-like hydrogen-bonding array to cooperatively interlock the ends of a foldamer together with its helical core. We find that the hydrogen-bonding array has a greater influence on stabilizing the helix than the π-stacked seam under the conditions examined (50:50 MeCN/THF). Thus, we show how it is possible to enhance the difference between Cl(-) binding and release using light-dependent control over the foldamer's degree of helix stabilization. Making and breaking three π-π contacts with light caused an 8-fold change in chloride affinity (40 300 M(-1) ⇄ 5000 M(-1)), five π-π contacts produced a 17-fold change (126 000 M(-1) ⇄ 7400 M(-1)), and strategically located hydrogen-bonding units enabled a greater 84-fold differential (970 000 M(-1) ⇄ 11 600 M(-1)). The improved performances were attributed to stepwise increases in the preorganization of the binding pocket that catches chloride while leaving the cis states with just one π-π contact relatively unchanged.

Mechanical force antagonizes the inhibitory effects of RecX on RecA filament formation in Mycobacterium tuberculosis

PubMed Central

Le, Shimin; Chen, Hu; Zhang, Xinghua; Chen, Jin; Patil, K. Neelakanteshwar; Muniyappa, Kalappa; Yan, Jie

2014-01-01

Efficient bacterial recombinational DNA repair involves rapid cycles of RecA filament assembly and disassembly. The RecX protein plays a crucial inhibitory role in RecA filament formation and stability. As the broken ends of DNA are tethered during homologous search, RecA filaments assembled at the ends are likely subject to force. In this work, we investigated the interplay between RecX and force on RecA filament formation and stability. Using magnetic tweezers, at single molecular level, we found that Mycobacterium tuberculosis (Mt) RecX could catalyze stepwise de-polymerization of preformed MtRecA filament in the presence of ATP hydrolysis at low forces (<7 pN). However, applying larger forces antagonized the inhibitory effects of MtRecX, and a partially de-polymerized MtRecA filament could re-polymerize in the presence of MtRecX, which cannot be explained by previous models. Theoretical analysis of force-dependent conformational free energies of naked ssDNA and RecA nucleoprotein filament suggests that mechanical force stabilizes RecA filament, which provides a possible mechanism for the observation. As the antagonizing effect of force on the inhibitory function of RecX takes place in a physiological range; these findings broadly suggest a potential mechanosensitive regulation during homologous recombination. PMID:25294832

Studies on chalcone derivatives: complex formation, thermal behavior, stability constant and antioxidant activity.

PubMed

El-Sayed, Yusif S; Gaber, M

2015-02-25

The chalcone 3-[4'-dimethylaminophenyl]-1-(2-pyridyl) prop-2-en-1-one (DMAPP) and 3-(4'-diethylaminophenyl)-1-(2-pyridinyl) prop-2-en-1-one abbreviated as DEAPP have been synthesized and characterized with IR, (1)H NMR, (13)C NMR spectroscopic techniques as described previously (El-Daly et al., 2008; Gaber et al., 2009; El-Sayed, 2013). By using UV visible spectroscopy method the mole fraction ratio for copper with DMAPP and DEAPP complexes were determined and it was found to be 1:1. The stability constants of this complex have been determined by Job's method. The stability constant (Kf) of copper with DMAPP and DEAPP complexes in universal buffer pH=3.2 was determined to be 9.9×10(4) and 5.2×10(4) respectively. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM(+) force field coupled with molecular dynamics simulation. The bond lengths and bond angles have been calculated to confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the chalcone to copper nanoparticles was studied. The apparent association constants of the colloidal copper nanoparticles:chalcone complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) chalcone complexes. Antioxidant activity of these chalcones was evaluated by using 1,1'-diphenyl-2-picrylhydrazyl (DPPH) radicals scavenging method, which showed that the antioxidant activity of DMAPP has higher value than the DEAPP. Semi-empirical study results showed that DMAPP have higher dipole moment than DEAPP. Copyright © 2014 Elsevier B.V. All rights reserved.

Studies on chalcone derivatives: Complex formation, thermal behavior, stability constant and antioxidant activity

NASA Astrophysics Data System (ADS)

El-Sayed, Yusif S.; Gaber, M.

2015-02-01

The chalcone 3-[4‧-dimethylaminophenyl]-1-(2-pyridyl) prop-2-en-1-one (DMAPP) and 3-(4‧-diethylaminophenyl)-1-(2-pyridinyl) prop-2-en-1-one abbreviated as DEAPP have been synthesized and characterized with IR, 1H NMR, 13C NMR spectroscopic techniques as described previously (El-Daly et al., 2008; Gaber et al., 2009; El-Sayed, 2013). By using UV visible spectroscopy method the mole fraction ratio for copper with DMAPP and DEAPP complexes were determined and it was found to be 1:1. The stability constants of this complex have been determined by Job's method. The stability constant (Kf) of copper with DMAPP and DEAPP complexes in universal buffer pH = 3.2 was determined to be 9.9 × 104 and 5.2 × 104 respectively. The effect of Cu(II) ion on the emission spectrum of the free chalcone is also assigned. Adherence to Beer's law and Ringbom optimum concentration ranges are determined. The thermal decomposition of the metal complexes is studied by TGA technique. The kinetic parameters like activation energy, pre-exponential factor and entropy of activation are estimated. The structure of complexes was energetically optimized through molecular mechanics applying MM+ force field coupled with molecular dynamics simulation. The bond lengths and bond angles have been calculated to confirm the geometry of the ligands and their Cu(II) complexes. The mode of interaction of the chalcone to copper nanoparticles was studied. The apparent association constants of the colloidal copper nanoparticles:chalcone complexes in solution were evaluated using the spectral method and compared with the formation constant of the Cu(II) chalcone complexes. Antioxidant activity of these chalcones was evaluated by using 1,1‧-diphenyl-2-picrylhydrazyl (DPPHrad) radicals scavenging method, which showed that the antioxidant activity of DMAPP has higher value than the DEAPP. Semi-empirical study results showed that DMAPP have higher dipole moment than DEAPP [1].

From precision polymers to complex materials and systems

NASA Astrophysics Data System (ADS)

Lutz, Jean-François; Lehn, Jean-Marie; Meijer, E. W.; Matyjaszewski, Krzysztof

2016-05-01

Complex chemical systems, such as living biological matter, are highly organized structures based on discrete molecules in constant dynamic interactions. These natural materials can evolve and adapt to their environment. By contrast, man-made materials exhibit simpler properties. In this Review, we highlight that most of the necessary elements for the development of more complex synthetic matter are available today. Using modern strategies, such as controlled radical polymerizations, supramolecular polymerizations or stepwise synthesis, polymers with precisely controlled molecular structures can be synthesized. Moreover, such tailored polymers can be folded or self-assembled into defined nanoscale morphologies. These self-organized macromolecular objects can be at thermal equilibrium or can be driven out of equilibrium. Recently, in the latter case, interesting dynamic materials have been developed. However, this is just a start, and more complex adaptive materials are anticipated.

Computing the Envelope for Stepwise Constant Resource Allocations

NASA Technical Reports Server (NTRS)

Muscettola, Nicola; Clancy, Daniel (Technical Monitor)

2001-01-01

Estimating tight resource level is a fundamental problem in the construction of flexible plans with resource utilization. In this paper we describe an efficient algorithm that builds a resource envelope, the tightest possible such bound. The algorithm is based on transforming the temporal network of resource consuming and producing events into a flow network with noises equal to the events and edges equal to the necessary predecessor links between events. The incremental solution of a staged maximum flow problem on the network is then used to compute the time of occurrence and the height of each step of the resource envelope profile. The staged algorithm has the same computational complexity of solving a maximum flow problem on the entire flow network. This makes this method computationally feasible for use in the inner loop of search-based scheduling algorithms.

Computing the Envelope for Stepwise-Constant Resource Allocations

NASA Technical Reports Server (NTRS)

Muscettola, Nicola; Clancy, Daniel (Technical Monitor)

2002-01-01

Computing tight resource-level bounds is a fundamental problem in the construction of flexible plans with resource utilization. In this paper we describe an efficient algorithm that builds a resource envelope, the tightest possible such bound. The algorithm is based on transforming the temporal network of resource consuming and producing events into a flow network with nodes equal to the events and edges equal to the necessary predecessor links between events. A staged maximum flow problem on the network is then used to compute the time of occurrence and the height of each step of the resource envelope profile. Each stage has the same computational complexity of solving a maximum flow problem on the entire flow network. This makes this method computationally feasible and promising for use in the inner loop of flexible-time scheduling algorithms.

Decision analysis to complete diagnostic research by closing the gap between test characteristics and cost-effectiveness.

PubMed

Schaafsma, Joanna D; van der Graaf, Yolanda; Rinkel, Gabriel J E; Buskens, Erik

2009-12-01

The lack of a standard methodology in diagnostic research impedes adequate evaluation before implementation of constantly developing diagnostic techniques. We discuss the methodology of diagnostic research and underscore the relevance of decision analysis in the process of evaluation of diagnostic tests. Overview and conceptual discussion. Diagnostic research requires a stepwise approach comprising assessment of test characteristics followed by evaluation of added value, clinical outcome, and cost-effectiveness. These multiple goals are generally incompatible with a randomized design. Decision-analytic models provide an important alternative through integration of the best available evidence. Thus, critical assessment of clinical value and efficient use of resources can be achieved. Decision-analytic models should be considered part of the standard methodology in diagnostic research. They can serve as a valid alternative to diagnostic randomized clinical trials (RCTs).

An improved kinetics approach to describe the physical stability of amorphous solid dispersions.

PubMed

Yang, Jiao; Grey, Kristin; Doney, John

2010-01-15

The recrystallization of amorphous solid dispersions may lead to a loss in the dissolution rate, and consequently reduce bioavailability. The purpose of this work is to understand factors governing the recrystallization of amorphous drug-polymer solid dispersions, and develop a kinetics model capable of accurately predicting their physical stability. Recrystallization kinetics was measured using differential scanning calorimetry for initially amorphous efavirenz-polyvinylpyrrolidone solid dispersions stored at controlled temperature and relative humidity. The experimental measurements were fitted by a new kinetic model to estimate the recrystallization rate constant and microscopic geometry of crystal growth. The new kinetics model was used to illustrate the governing factors of amorphous solid dispersions stability. Temperature was found to affect efavirenz recrystallization in an Arrhenius manner, while recrystallization rate constant was shown to increase linearly with relative humidity. Polymer content tremendously inhibited the recrystallization process by increasing the crystallization activation energy and decreasing the equilibrium crystallinity. The new kinetic model was validated by the good agreement between model fits and experiment measurements. A small increase in polyvinylpyrrolidone resulted in substantial stability enhancements of efavirenz amorphous solid dispersion. The new established kinetics model provided more accurate predictions than the Avrami equation.

Study on Nonlinear Vibration Analysis of Gear System with Random Parameters

NASA Astrophysics Data System (ADS)

Tong, Cao; Liu, Xiaoyuan; Fan, Li

2018-03-01

In order to study the dynamic characteristics of gear nonlinear vibration system and the influence of random parameters, firstly, a nonlinear stochastic vibration analysis model of gear 3-DOF is established based on Newton’s Law. And the random response of gear vibration is simulated by stepwise integration method. Secondly, the influence of stochastic parameters such as meshing damping, tooth side gap and excitation frequency on the dynamic response of gear nonlinear system is analyzed by using the stability analysis method such as bifurcation diagram and Lyapunov exponent method. The analysis shows that the stochastic process can not be neglected, which can cause the random bifurcation and chaos of the system response. This study will provide important reference value for vibration engineering designers.

Financial Distress Prediction using Linear Discriminant Analysis and Support Vector Machine

NASA Astrophysics Data System (ADS)

Santoso, Noviyanti; Wibowo, Wahyu

2018-03-01

A financial difficulty is the early stages before the bankruptcy. Bankruptcies caused by the financial distress can be seen from the financial statements of the company. The ability to predict financial distress became an important research topic because it can provide early warning for the company. In addition, predicting financial distress is also beneficial for investors and creditors. This research will be made the prediction model of financial distress at industrial companies in Indonesia by comparing the performance of Linear Discriminant Analysis (LDA) and Support Vector Machine (SVM) combined with variable selection technique. The result of this research is prediction model based on hybrid Stepwise-SVM obtains better balance among fitting ability, generalization ability and model stability than the other models.

Characterization of wet aggregate stability of soils by ¹H-NMR relaxometry.

PubMed

Buchmann, C; Meyer, M; Schaumann, G E

2015-09-01

For the assessment of soil structural stability against hydraulic stress, wet sieving or constant head permeability tests are typically used but rather limited in their intrinsic information value. The multiple applications of several tests is the only possibility to assess important processes and mechanisms during soil aggregate breakdown, e.g. the influences of soil fragment release or differential swelling on the porous systems of soils or soil aggregate columns. Consequently, the development of new techniques for a faster and more detailed wet aggregate stability assessment is required. (1)H nuclear magnetic resonance relaxometry ((1)H-NMR relaxometry) might provide these requirements because it has already been successfully applied on soils. We evaluated the potential of (1)H-NMR relaxometry for the assessment of wet aggregate stability of soils, with more detailed information on occurring mechanisms at the same time. Therefore, we conducted single wet sieving and constant head permeability tests on untreated and 1% polyacrylic acid-treated soil aggregates of different textures and organic matter contents, subsequently measured by (1)H-NMR relaxometry after percolation. The stability of the soil aggregates were mainly depending on their organic matter contents and the type of aggregate stabilization, whereby additional effects of clay swelling on the measured wet aggregate stability were identified by the transverse relaxation time (T2) distributions. Regression analyses showed that only the percentage of water stable aggregates could be determined accurately from percolated soil aggregate columns by (1)H-NMR relaxometry measurements. (1)H-NMR relaxometry seems a promising technique for wet aggregate stability measurements but should be further developed for nonpercolated aggregate columns and real soil samples. Copyright © 2014 John Wiley & Sons, Ltd.

Chelating agents related to ethylenediamine bis(2-hydroxyphenyl)acetic acid (EDDHA): synthesis, characterization, and equilibrium studies of the free ligands and their Mg2+, Ca2+, Cu2+, and Fe3+ chelates.

PubMed

Yunta, Felipe; García-Marco, Sonia; Lucena, Juan J; Gómez-Gallego, Mar; Alcázar, Roberto; Sierra, Miguel A

2003-08-25

Iron chelates such as ethylenediamine-N,N'-bis(2-hydroxyphenyl)acetic acid (EDDHA) and their analogues are the most efficient soil fertilizers to treat iron chlorosis in plants growing in calcareous soils. EDDHA, EDDH4MA (ethylenediamine-N,N'-bis(2-hydroxy-4-methylphenyl)acetic acid), and EDDCHA (ethylenediamine-N,N'-bis(2-hydroxy-5-carboxyphenyl)acetic acid) are allowed by the European directive, but also EDDHSA (ethylenediamine-N,N'-bis(2-hydroxy-5-sulfonylphenyl)acetic acid) and EDDH5MA (ethylenediamine-N,N'-bis(2-hydroxy-5-methylphenyl)acetic acid) are present in several commercial iron chelates. In this study, these chelating agents as well as p,p-EDDHA (ethylenediamine-N,N'-bis(4-hydroxyphenyl)acetic acid) and EDDMtxA (ethylenediamine-N,N'-bis(2-metoxyphenyl)acetic acid) have been obtained following a new synthetic pathway. Their chemical behavior has been studied to predict the effect of the substituents in the benzene ring on their efficacy as iron fertilizers for soils above pH 7. The purity of the chelating agents has been determined using a novel methodology through spectrophotometric titration at 480 nm with Fe(3+) as titrant to evaluate the inorganic impurities. The protonation constants were determined by both spectrophotometric and potentiometric methods, and Ca(2+) and Mg(2+) stability constants were determined from potentiometric titrations. To establish the Fe(3+) and Cu(2+) stability constants, a new spectrophotometric method has been developed, and the results were compared with those reported in the literature for EDDHA and EDDHMA and their meso- and rac-isomers. pM values have been also determined to provide a comparable basis to establish the relative chelating ability of these ligands. The purity obtained for the ligands is higher than 87% in all cases and is comparable with that obtained by (1)H NMR. No significant differences have been found among ligands when their protonation and stability constants were compared. As expected, no Fe(3+) complexation was observed for p,p-EDDHA and EDDMtxA. The presence of sulfonium groups in EDDHSA produces an increase in acidity that affects their protonation and stability constants, although the pFe values suggest that EDDHSA could be also effective to correct iron chlorosis in plants.

Estimating conformation content of a protein using citrate-stabilized Au nanoparticles

NASA Astrophysics Data System (ADS)

Deka, Jashmini; Paul, Anumita; Chattopadhyay, Arun

2010-08-01

Herein we report the use of the optical properties of citrate-stabilized gold nanoparticles (Au NPs) for estimation of native or denatured conformation content in a mixture of a protein in solution. The UV-vis extinction spectrum of citrate-stabilized Au NPs is known to broaden differently in the presence of native and denatured states of α-amylase, bovine serum albumin (BSA) or amyloglucosidase (AMG). On the other hand, herein we show that when a mixture of native and denatured protein was present in the medium, the broadening of the spectrum differed for different fractional content of the conformations. Also, the total area under the extinction spectrum varied linearly with the change in the mole fraction content of a state and for a constant total protein concentration. Transmission electron microscopy (TEM) measurements revealed different levels of agglomeration for different fractional contents of the native or denatured state of a protein. In addition, time-dependent denaturation of a protein could be followed using the present method. The rate constants calculated for denaturation indicated a possible fast change in conformation of a protein before complete thermal denaturation. The observations have been explained based on the changes in extinction coefficient (thereby oscillator strength) upon interaction of citrate-stabilized NPs with proteins being in different states and levels of agglomeration.Herein we report the use of the optical properties of citrate-stabilized gold nanoparticles (Au NPs) for estimation of native or denatured conformation content in a mixture of a protein in solution. The UV-vis extinction spectrum of citrate-stabilized Au NPs is known to broaden differently in the presence of native and denatured states of α-amylase, bovine serum albumin (BSA) or amyloglucosidase (AMG). On the other hand, herein we show that when a mixture of native and denatured protein was present in the medium, the broadening of the spectrum differed for different fractional content of the conformations. Also, the total area under the extinction spectrum varied linearly with the change in the mole fraction content of a state and for a constant total protein concentration. Transmission electron microscopy (TEM) measurements revealed different levels of agglomeration for different fractional contents of the native or denatured state of a protein. In addition, time-dependent denaturation of a protein could be followed using the present method. The rate constants calculated for denaturation indicated a possible fast change in conformation of a protein before complete thermal denaturation. The observations have been explained based on the changes in extinction coefficient (thereby oscillator strength) upon interaction of citrate-stabilized NPs with proteins being in different states and levels of agglomeration. Electronic supplementary information (ESI) available: Additional UV-vis and fluorescence spectra and graphs based on UV-vis studies. See DOI: 10.1039/c0nr00154f

Surface complexation modeling of proton and Cd adsorption onto an algal cell wall.

PubMed

Kaulbach, Emily S; Szymanowski, Jennifer E S; Fein, Jeremy B

2005-06-01

This study quantifies Cd adsorption onto the cell wall of the algal species Pseudokirchneriella subcapitata by applying a surface complexation approach to model the observed adsorption behavior. We use potentiometric titrations to determine deprotonation constants and site concentrations for the functional groups on the algal cell wall. Adsorption and desorption kinetics experiments illustrate that adsorption of Cd onto the cell wall is rapid and reversible, except under low pH conditions. Adsorption experiments conducted as a function of pH and total Cd concentration yield the stoichiometry and site-specific stability constants for the important Cd-algal surface complexes. We model the acid/base properties of the algal cell wall by invoking four discrete surface functional group types, with pKa values of 3.9 +/- 0.3, 5.4 +/- 0.1, 7.6 +/- 0.3, and 9.6 +/- 0.4. The results of the Cd adsorption experiments indicate that the first, third, and fourth sites contribute to Cd adsorption under the experimental conditions, with calculated log stability constant values of 4.1 +/- 0.5, 5.4 +/- 0.5, and 6.1 +/- 0.4, respectively. Our results suggest that the stabilities of the Cd-surface complexes are high enough for algal adsorption to affect the fate and transport of Cd under some conditions and that on a per gram basis, algae and bacteria exhibit broadly similar extents of Cd adsorption.

Metal–organic complexation in the marine environment

PubMed Central

Luther, George W; Rozan, Timothy F; Witter, Amy; Lewis, Brent

2001-01-01

We discuss the voltammetric methods that are used to assess metal–organic complexation in seawater. These consist of titration methods using anodic stripping voltammetry (ASV) and cathodic stripping voltammetry competitive ligand experiments (CSV-CLE). These approaches and a kinetic approach using CSV-CLE give similar information on the amount of excess ligand to metal in a sample and the conditional metal ligand stability constant for the excess ligand bound to the metal. CSV-CLE data using different ligands to measure Fe(III) organic complexes are similar. All these methods give conditional stability constants for which the side reaction coefficient for the metal can be corrected but not that for the ligand. Another approach, pseudovoltammetry, provides information on the actual metal–ligand complex(es) in a sample by doing ASV experiments where the deposition potential is varied more negatively in order to destroy the metal–ligand complex. This latter approach gives concentration information on each actual ligand bound to the metal as well as the thermodynamic stability constant of each complex in solution when compared to known metal–ligand complexes. In this case the side reaction coefficients for the metal and ligand are corrected. Thus, this method may not give identical information to the titration methods because the excess ligand in the sample may not be identical to some of the actual ligands binding the metal in the sample. PMID:16759421

Autoxidation of jet fuels: Implications for modeling and thermal stability

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

Heneghan, S.P.; Chin, L.P.

1995-05-01

The study and modeling of jet fuel thermal deposition is dependent on an understanding of and ability to model the oxidation chemistry. Global modeling of jet fuel oxidation is complicated by several facts. First, liquid jet fuels are hard to heat rapidly and fuels may begin to oxidize during the heat-up phase. Non-isothermal conditions can be accounted for but the evaluation of temperature versus time is difficult. Second, the jet fuels are a mixture of many compounds that may oxidize at different rates. Third, jet fuel oxidation may be autoaccelerating through the decomposition of the oxidation products. Attempts to modelmore » the deposition of jet fuels in two different flowing systems showed the inadequacy of a simple two-parameter global Arrhenius oxidation rate constant. Discarding previous assumptions about the form of the global rate constants results in a four parameter model (which accounts for autoacceleration). This paper discusses the source of the rate constant form and the meaning of each parameter. One of these parameters is associated with the pre-exponential of the autoxidation chain length. This value is expected to vary inversely to thermal stability. We calculate the parameters for two different fuels and discuss the implication to thermal and oxidative stability of the fuels. Finally, we discuss the effect of non-Arrhenius behavior on current modeling of deposition efforts.« less

High-k 3D-barium titanate foam/phenolphthalein poly(ether sulfone)/cyanate ester composites with frequency-stable dielectric properties and extremely low dielectric loss under reduced concentration of ceramics

NASA Astrophysics Data System (ADS)

Zheng, Longhui; Yuan, Li; Guan, Qingbao; Liang, Guozheng; Gu, Aijuan

2018-01-01

Higher dielectric constant, lower dielectric loss and better frequency stability have been the developing trends for high dielectric constant (high-k) materials. Herein, new composites have been developed through building unique structure by using hyperbranched polysiloxane modified 3D-barium titanate foam (BTF) (BTF@HSi) as the functional fillers and phenolphthalein poly(ether sulfone) (cPES)/cyanate ester (CE) blend as the resin matrix. For BTF@HSi/cPES/CE composite with 34.1 vol% BTF, its dielectric constant at 100 Hz is as high as 162 and dielectric loss is only 0.007; moreover, the dielectric properties of BTF@HSi/cPES/CE composites exhibit excellent frequency stability. To reveal the mechanism behind these attractive performances of BTF@HSi/cPES/CE composites, three kinds of composites (BTF/CE, BTF/cPES/CE, BTF@HSi/CE) were prepared, their structure and integrated performances were intensively investigated and compared with those of BTF@HSi/cPES/CE composites. Results show that the surface modification of BTF is good for preparing composites with improved thermal stability; while introducing flexible cPES to CE is beneficial to fabricate composites with good quality through effectively blocking cracks caused by the stress concentration, and then endowing the composites with good dielectric properties at reduced concentration of ceramics.

A chemical equilibrium model for metal adsorption onto bacterial surfaces

NASA Astrophysics Data System (ADS)

Fein, Jeremy B.; Daughney, Christopher J.; Yee, Nathan; Davis, Thomas A.

1997-08-01

This study quantifies metal adsorption onto cell wall surfaces of Bacillus subtilis by applying equilibrium thermodynamics to the specific chemical reactions that occur at the water-bacteria interface. We use acid/base titrations to determine deprotonation constants for the important surface functional groups, and we perform metal-bacteria adsorption experiments, using Cd, Cu, Pb, and Al, to yield site-specific stability constants for the important metal-bacteria surface complexes. The acid/base properties of the cell wall of B. subtilis can best be characterized by invoking three distinct types of surface organic acid functional groups, with pK a values of 4.82 ± 0.14, 6.9 ± 0.5, and 9.4 ± 0.6. These functional groups likely correspond to carboxyl, phosphate, and hydroxyl sites, respectively, that are displayed on the cell wall surface. The results of the metal adsorption experiments indicate that both the carboxyl sites and the phosphate sites contribute to metal uptake. The values of the log stability constants for metal-carboxyl surface complexes range from 3.4 for Cd, 4.2 for Pb, 4.3 for Cu, to 5.0 for Al. These results suggest that the stabilities of the metal-surface complexes are high enough for metal-bacterial interactions to affect metal mobilities in many aqueous systems, and this approach enables quantitative assessment of the effects of bacteria on metal mobilities.

Characterization of Actinides Complexed to Nuclear Fuel Constituents Using ESI-MS

DOE PAGES

McDonald, Luther W.; Campbell, James A.; Vercouter, Thomas; ...

2016-03-01

Electrospray ionization-mass spectrometry (ESI-MS) was tested for its use in monitoring spent nuclear fuel (SNF) constituents including U, Pu, dibutyl phosphate (DBP), and tributyl phosphate (TBP). Both positive and negative ion modes were used to evaluate the speciation of U and Pu with TBP and DBP. Furthermore, apparent stability constants were determined for U complexed to TBP and DBP. In positive ion mode, TBP produced a strong signal with and without complexation to U or Pu, but, in negative ion mode, no TBP, U-TBP, or Pu-TBP complexes were observed. Apparent stability constants were determined for [UO 2(NO 3) 2(TBP) 2],more » [UO 2(NO 3) 2(H 2O)(TBP) 2], and [UO 2(NO 3) 2(TBP) 3]. In contrast DBP, U-DBP, and Pu-DBP complexes were observed in both positive and negative ion modes. Apparent stability constants were determined for the species [UO 2(DBP)], [UO 2(DBP) 3], and [UO 2(DBP) 4]. Analyzing mixtures of U or Pu with TBP and DBP yielded the formation of ternary complexes whose stoichiometry was directly related to the ratio of TBP to DBP. The ESI-MS protocols used in this study will further demonstrate the utility of ESI-MS and its applicability to process control monitoring in SNF reprocessing facilities.« less

Measurement of the isotope shift of the 63 P 1 ↔53 D 1 transition of ytterbium by using a diode oscillator fiber amplified laser

NASA Astrophysics Data System (ADS)

Lee, L.; Park, H.; Ko, K.-H.; Jeong, D.-Y.

2010-08-01

We demonstrated a Diode Oscillator Fiber Amplification (DOFA) system in order to study the 63 P 1 ↔53 D 1 (1539 nm) transition line of a neutral ytterbium atom that is accessed by the stepwise excitation of the ground state. The frequency of the DOFA system was doubled by a MgO:PPLN crystal for the resonant excitation of the 61 S 0 ↔63 P 1 transition. The frequency of the second harmonic beam was stabilized to the 61 S 0 ↔63 P 1 transition of each isotope with the stability of about 2 MHz. We performed absorption spectroscopy on the 63 P 1 ↔53 D 1 (1539 nm) transition after the velocity selective excitation by the frequency-doubled beam. The isotope shifts in the 63 P 1 ↔53 D 1 (1539 nm) transition were directly measured for the first time. The relative isotope shifts from 174Yb were measured as -105.8 MHz and 109.7 MHz for 176Yb and 172Yb, respectively.

Stability of Ni-bsed bulk metallic glasses

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

Tokarz, Michelle L; Speakman, Scott A; Porter, Wallace D

Several ternary (Ni{sub x}Nb{sub y}Sn{sub z}) refractory alloy glasses (RAGs) were studied at elevated temperatures in order to assess the stability of the amorphous state, i.e. devitrification, and to identify subsequent phase transformations in these materials. differential scanning calorimetry (DSC) experiments indicated a complex phase transformation sequence with several distinct crystallization and melting events being recorded above the glass transition temperature, T{sub g}. Below T{sub g} the RAG samples were studied with an in situ environmental X-ray furnace facility, which allowed step-wise isothermal ramping experiments commencing at a temperature below the reduced temperature of T/T{sub g} {approx} 0.80. Distinct crystallinemore » phases were observed when T/T{sub g} {approx} 0.84 for ternary RAG alloys, while similar experiments on Zr-based Vit 106 glass alloys did not reveal any apparent phase separation until T/T{sub g} {approx} 0.96. The phase separation kinetics followed an Arrhenius type of relationship with Ni{sub 3}Sn, and Nb{sub 2}O{sub 5} being the principle crystalline precipitates.« less

Atomistic and Ab Initio Calculations or Ternary II-IV-V2 Semiconductors

DTIC Science & Technology

1999-12-07

consisting of two- and three-body terms is developed reproducing crystal lattice constants, elastic and dielectric constants very well. The calculated...the lattice . This difference may well be due to defect-induced lattice distortion which plays a key role in stabilizing the hole states in the... lattice . 15. SUBJECT TERMS Chalcopyrites, Defects, Atomistic and AB Initio Calculations 16. SECURITY CLASSIFICATION OF: a. REPORT u b. ABSTRACT U

Application of the Initial Rate Method in Anaerobic Digestion of Kitchen Waste

PubMed Central

Lang, Xianming; Liu, Yiwei; Li, Rundong; Yu, Meiling; Shao, Lijie; Wang, Xiaoming

2017-01-01

This article proposes a methane production approach through sequenced anaerobic digestion of kitchen waste, determines the hydrolysis constants and reaction orders at both low total solid (TS) concentrations and high TS concentrations using the initial rate method, and examines the population growth model and first-order hydrolysis model. The findings indicate that the first-order hydrolysis model better reflects the kinetic process of gas production. During the experiment, all the influential factors of anaerobic fermentation retained their optimal values. The hydrolysis constants and reaction orders at low TS concentrations are then employed to demonstrate that the first-order gas production model can describe the kinetics of the gas production process. At low TS concentrations, the hydrolysis constants and reaction orders demonstrated opposite trends, with both stabilizing after 24 days at 0.99 and 1.1252, respectively. At high TS concentrations, the hydrolysis constants and the reaction orders stabilized at 0.98 (after 18 days) and 0.3507 (after 14 days), respectively. Given sufficient reaction time, the hydrolysis involved in anaerobic fermentation of kitchen waste can be regarded as a first-order reaction in terms of reaction kinetics. This study serves as a good reference for future studies regarding the kinetics of anaerobic digestion of kitchen waste. PMID:28546964

Application of the Initial Rate Method in Anaerobic Digestion of Kitchen Waste.

PubMed

Feng, Lei; Gao, Yuan; Kou, Wei; Lang, Xianming; Liu, Yiwei; Li, Rundong; Yu, Meiling; Shao, Lijie; Wang, Xiaoming

2017-01-01

This article proposes a methane production approach through sequenced anaerobic digestion of kitchen waste, determines the hydrolysis constants and reaction orders at both low total solid (TS) concentrations and high TS concentrations using the initial rate method, and examines the population growth model and first-order hydrolysis model. The findings indicate that the first-order hydrolysis model better reflects the kinetic process of gas production. During the experiment, all the influential factors of anaerobic fermentation retained their optimal values. The hydrolysis constants and reaction orders at low TS concentrations are then employed to demonstrate that the first-order gas production model can describe the kinetics of the gas production process. At low TS concentrations, the hydrolysis constants and reaction orders demonstrated opposite trends, with both stabilizing after 24 days at 0.99 and 1.1252, respectively. At high TS concentrations, the hydrolysis constants and the reaction orders stabilized at 0.98 (after 18 days) and 0.3507 (after 14 days), respectively. Given sufficient reaction time, the hydrolysis involved in anaerobic fermentation of kitchen waste can be regarded as a first-order reaction in terms of reaction kinetics. This study serves as a good reference for future studies regarding the kinetics of anaerobic digestion of kitchen waste.

The effect of thermal history on crystalline structure and mechanical properties of β-nucleated isotactic polypropylene

NASA Astrophysics Data System (ADS)

Tian, Yefei; Zhou, Jian; Feng, Jiachun

2018-04-01

The effect of thermal history on β-nucleated iPP was systematically investigated by comparing the variance of crystalline microstructures and mechanical property of stepwise crystallized sample and annealed sample, which experienced different thermal history. The mechanical property tests exhibit that that the toughness of stepwise crystallized sample and annealed sample were both decreased compared to control sample, while the tensile strength of the stepwise crystallized sample increased slightly. Structure investigation showed that the α-relaxation peak, which is related to the assignment of chains in rigid amorphous phase, moved to the high temperature region for stepwise crystallized sample, while it moved to the low temperature region for annealed sample. The results indicated the weakening in rigid amorphous fraction (RAF) and the increase in lamellar thickness of β-iPP after stepwise crystallization treatment. For annealed sample, the RAF strengthened and lamellar thickness decreased slightly after thermal treatment. A mechanism of crystalline microstructures evolution of restricted area between the main lamellar under different treatments was proposed.

Improving meat quality of organic pork through post mortem handling of carcasses: an innovative approach.

PubMed

Therkildsen, Margrethe; Kristensen, Lars; Kyed, Sybille; Oksbjerg, Niels

2012-06-01

This study was conducted to examine the best combination of post mortem chilling, suspension and ageing in order to optimize tenderness of organic pork at slaughter, which may be tougher than conventionally produced pork, because of lower daily gain. Combinations of stepwise chilling with a holding period of 6h at 10°C or traditional blast tunnel chilling, suspension in the pelvic bone or Achilles Tendon and ageing 2 or 4 days post mortem were tested. Stepwise chilling and ageing improved tenderness of the loin, and the effects were additive, whereas pelvic suspension was less effective in texture improvements, and non-additive to stepwise chilling. Stepwise chilling improved tenderness to a similar degree as can be obtained within 2-4 days of extended ageing, however, the minimum temperature during the holding period seems to be crucial in order to obtain a positive effect of stepwise chilling, and it should be above 7.5°C. Copyright © 2011 Elsevier Ltd. All rights reserved.

Solution thermodynamic stability of complexes formed with the octadentate hydroxypyridinonate ligand 3,4,3-LI(1,2-HOPO): A critical feature for efficient chelation of lanthanide(IV) and actinide(IV) ions

PubMed Central

Deblonde, Gauthier J-P.; Sturzbecher-Hoehne, Manuel; Abergel, Rebecca J.

2013-01-01

The solution thermodynamics of water soluble complexes formed between Ce(III), Ce(IV), Th(IV) and the octadentate chelating agent 3,4,3-LI(1,2-HOPO) were investigated. Several techniques including spectrofluorimetric and automated spectrophotometric titrations were used to overcome the slow spontaneous oxidation of Ce(III) complexes yielding to stability constants of log β110 = 17.4 ± 0.5, log β11-1 = 8.3 ± 0.4 and log β111 = 21.2 ± 0.4 for [Ce(III)(3,4,3-LI(1,2-HOPO))]−, [Ce(III)(3,4,3-LI(1,2-HOPO)(OH)]2− and [Ce(III)(3,4,3-LI(1,2-HOPO)H], respectively. Using the spectral properties of the hydroxypyridinonate chelator in ligand competition titrations against nitrilotriacetic acid, the stability constant log β110 = 41.5 ± 0.5 was determined for [Ce(IV)(3,4,3-LI(1,2-HOPO))]. Finally, the extraordinarily stable complex [Ce(IV)(3,4,3-LI(1,2-HOPO))] was used in Th(IV) competition titrations, resulting in a stability constant of log β110 = 40.1 ± 0.5 for [Th(IV)3,4,3-LI(1,2-HOPO))]. These experimental values are in excellent agreement with previous estimates, they are discussed with respect to the ionic radius and oxidation state of each cationic metal and allow predictions on the stability of other actinide complexes including [U(IV)(3,4,3-LI(1,2-HOPO))], [Np(IV)(3,4,3-LI(1,2-HOPO))] and [Pu(IV)(3,4,3-LI(1,2-HOPO))]. Comparisons with the standard ligand diethylenetriamine pentaacetic acid (DTPA) provide a thermodynamic basis for the observed significantly higher efficacy of 3,4,3-LI(1,2-HOPO) as an in vivo actinide decorporation agent. PMID:23855806

Stepwise introduction of laparoscopic liver surgery: validation of guideline recommendations.

PubMed

van der Poel, Marcel J; Huisman, Floor; Busch, Olivier R; Abu Hilal, Mohammad; van Gulik, Thomas M; Tanis, Pieter J; Besselink, Marc G

2017-10-01

Uncontrolled introduction of laparoscopic liver surgery (LLS) could compromise postoperative outcomes. A stepwise introduction of LLS combined with structured training is advised. This study aimed to evaluate the impact of such a stepwise introduction. A retrospective, single-center case series assessing short term outcomes of all consecutive LLS in the period November 2006-January 2017. The technique was implemented in a stepwise fashion. To evaluate the impact of this stepwise approach combined with structured training, outcomes of LLS before and after a laparoscopic HPB fellowship were compared. A total of 135 laparoscopic resections were performed. Overall conversion rate was 4% (n = 5), clinically relevant complication rate 13% (n = 18) and mortality 0.7% (n = 1). A significant increase in patients with major LLS, multiple liver resections, previous abdominal surgery, malignancies and lesions located in posterior segments was observed after the fellowship as well as a decrease in the use of hand-assistance. Increasing complexity in the post fellowship period was reflected by an increase in operating times, but without comprising other surgical outcomes. A stepwise introduction of LLS combined with structured training reduced the clinical impact of the learning curve, thereby confirming guideline recommendations. Copyright © 2017 International Hepato-Pancreato-Biliary Association Inc. Published by Elsevier Ltd. All rights reserved.

A fully integrated oven controlled microelectromechanical oscillator -- Part I. Design and fabrication

DOE PAGES

Wojciechowski, Kenneth E.; Baker, Michael S.; Clews, Peggy J.; ...

2015-06-24

Our paper reports the design and fabrication of a fully integrated oven controlled microelectromechanical oscillator (OCMO). This paper begins by describing the limits on oscillator frequency stability imposed by the thermal drift and electronic properties (Q, resistance) of both the resonant tank circuit and feedback electronics required to form an electronic oscillator. An OCMO is presented that takes advantage of high thermal isolation and monolithic integration of both micromechanical resonators and electronic circuitry to thermally stabilize or ovenize all the components that comprise an oscillator. This was achieved by developing a processing technique where both silicon-on-insulator complementary metal-oxide-semiconductor (CMOS) circuitrymore » and piezoelectric aluminum nitride, AlN, micromechanical resonators are placed on a suspended platform within a standard CMOS integrated circuit. Operation at microscale sizes achieves high thermal resistances (~10 °C/mW), and hence thermal stabilization of the oscillators at very low-power levels when compared with the state-of-the-art ovenized crystal oscillators, OCXO. This constant resistance feedback circuit is presented that incorporates on platform resistive heaters and temperature sensors to both measure and stabilize the platform temperature. Moreover, the limits on temperature stability of the OCMO platform and oscillator frequency imposed by the gain of the constant resistance feedback loop, placement of the heater and temperature sensing resistors, as well as platform radiative and convective heat losses are investigated.« less

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, II, Santo A (Inventor)

2013-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Thermomechanical Methodology for Stabilizing Shape Memory Alloy (SMA) Response

NASA Technical Reports Server (NTRS)

Padula, Santo A., II (Inventor)

2016-01-01

Methods and apparatuses for stabilizing the strain-temperature response for a shape memory alloy are provided. To perform stabilization of a second sample of the shape memory alloy, a first sample of the shape memory alloy is selected for isobaric treatment and the second sample is selected for isothermal treatment. When applying the isobaric treatment to the first sample, a constant stress is applied to the first sample. Temperature is also cycled from a minimum temperature to a maximum temperature until a strain on the first sample stabilizes. Once the strain on the first sample stabilizes, the isothermal treatment is performed on the second sample. During isothermal treatment, different levels of stress on the second sample are applied until a strain on the second sample matches the stabilized strain on the first sample.

Stabilization and Structure of wave packets in Rydberg atoms ionized by a strong light field.

PubMed

Fedorov, M; Fedorov, S

1998-09-28

New features of the phenomenon of interference stabilization of Rydberg atoms are found to exist. The main of them are: (i) dynamical stabilization, which means that in case of pulses with a smooth envelope the time-dependent residual probability for an atom to survive in bound states remains almost constant in the middle part of a pulse (at the strongest fields); (ii) existence of the strong-field stabilization of the after-pulse residual probability in case of pulses longer than the classical Kepler period; and (iii) pulsation of the time-dependent Rydberg wave packet formed in the process of photoionization.

Covalent immobilization of invertase on PAMAM-dendrimer modified superparamagnetic iron oxide nanoparticles

NASA Astrophysics Data System (ADS)

Uzun, K.; Çevik, E.; Şenel, M.; Sözeri, H.; Baykal, A.; Abasıyanık, M. F.; Toprak, M. S.

2010-10-01

In this study, polyamidoamine (PAMAM) dendrimer was synthesized on the surface of superparamagnetite nanoparticles to enhance invertase immobilization. The amount of immobilized enzyme on the surface-hyperbranched magnetite nanoparticle was up to 2.5 times (i.e., 250%) as much as that of magnetite nanoparticle modified with only amino silane. Maximum reaction rate ( V max) and Michaelis-Menten constant ( K m) were determined for the free and immobilized enzymes. Various characteristics of immobilized invertase such as; the temperature activity, thermal stability, operational stability, and storage stability were evaluated and results revealed that stability of the enzyme is improved upon immobilization.

Temperature and size-dependent Hamaker constants for metal nanoparticles

NASA Astrophysics Data System (ADS)

Jiang, K.; Pinchuk, P.

2016-08-01

Theoretical values of the Hamaker constant have been calculated for metal nanoparticles using Lifshitz theory. The theory describes the Hamaker constant in terms of the permittivity of the interacting bodies. Metal nanoparticles exhibit an internal size effect that alters the dielectric permittivity of the particle when its size falls below the mean free path of the conducting electrons. This size dependence of the permittivity leads to size-dependence of the Hamaker constant for metal nanoparticles. Additionally, the electron damping and the plasma frequency used to model the permittivity of the particle exhibit temperature-dependence, which lead to temperature dependence of the Hamaker constant. In this work, both the size and temperature dependence for gold, silver, copper, and aluminum nanoparticles is demonstrated. The results of this study might be of interest for studying the colloidal stability of nanoparticles in solution.

Temperature and size-dependent Hamaker constants for metal nanoparticles.

PubMed

Jiang, K; Pinchuk, P

2016-08-26

Theoretical values of the Hamaker constant have been calculated for metal nanoparticles using Lifshitz theory. The theory describes the Hamaker constant in terms of the permittivity of the interacting bodies. Metal nanoparticles exhibit an internal size effect that alters the dielectric permittivity of the particle when its size falls below the mean free path of the conducting electrons. This size dependence of the permittivity leads to size-dependence of the Hamaker constant for metal nanoparticles. Additionally, the electron damping and the plasma frequency used to model the permittivity of the particle exhibit temperature-dependence, which lead to temperature dependence of the Hamaker constant. In this work, both the size and temperature dependence for gold, silver, copper, and aluminum nanoparticles is demonstrated. The results of this study might be of interest for studying the colloidal stability of nanoparticles in solution.

On stability of the solutions of inverse problem for determining the right-hand side of a degenerate parabolic equation with two independent variables

NASA Astrophysics Data System (ADS)

Kamynin, V. L.; Bukharova, T. I.

2017-01-01

We prove the estimates of stability with respect to perturbations of input data for the solutions of inverse problems for degenerate parabolic equations with unbounded coefficients. An important feature of these estimates is that the constants in these estimates are written out explicitly by the input data of the problem.

Relative Reactivity Measurements of Stabilized CH2OO, Produced by Ethene Ozonolysis, Toward Acetic Acid and Water Vapor Using Chemical Ionization Mass Spectrometry.

PubMed

Yajima, Ryoji; Sakamoto, Yosuke; Inomata, Satoshi; Hirokawa, Jun

2017-08-31

We investigated the relative reactivity of stabilized CH 2 OO, produced by ethene ozonolysis, toward acetic acid and water vapor at a temperature of 298 ± 2 K and atmospheric pressure. Hydroperoxymethyl acetate produced through the reaction between stabilized CH 2 OO and acetic acid was monitored using a chemical ionization mass spectrometer as a function of the acetic acid concentration at different relative humidities. The rate of the reaction between CH 2 OO and water vapor depended quadratically on the water vapor concentration, suggesting that CH 2 OO reacted with water dimers in preference to water monomers. We obtained the bimolecular rate constant for the reaction between CH 2 OO and water dimer relative to the rate constant for the reaction between CH 2 OO and acetic acid, k 3 /k 1 , of (6.3 ± 0.4) × 10 -2 . The k 3 value of (8.2 ± 0.8) × 10 -12 cm 3 molecule -1 s -1 was derived by combining with a k 1 value of (1.3 ± 0.1) × 10 -10 cm 3 molecule -1 s -1 , which has been previously reported by direct kinetic studies. The k 3 value thus obtained is consistent with the absolute rate constants measured directly, suggesting that the reactivity of CH 2 OO is irrespective of the CH 2 OO generation method, namely, ethene ozonolysis or diiodomethane photolysis. We indirectly determined the yield of stabilized CH 2 OO from the ozonolysis of ethene of 0.59 ± 0.17 and 0.55 ± 0.16 under dry and humid (relative humidity 23-24%) conditions, respectively, suggesting that the yield is independent of the water vapor concentration. Our results suggest that hydroperoxymethyl acetate is the sole product of the reaction between stabilized CH 2 OO and acetic acid. The approach presented here can likely be extended to studies of the reactivities of more complicated and atmospherically relevant stabilized Criegee intermediates.

Application of a single-objective, hybrid genetic algorithm approach to pharmacokinetic model building.

PubMed

Sherer, Eric A; Sale, Mark E; Pollock, Bruce G; Belani, Chandra P; Egorin, Merrill J; Ivy, Percy S; Lieberman, Jeffrey A; Manuck, Stephen B; Marder, Stephen R; Muldoon, Matthew F; Scher, Howard I; Solit, David B; Bies, Robert R

2012-08-01

A limitation in traditional stepwise population pharmacokinetic model building is the difficulty in handling interactions between model components. To address this issue, a method was previously introduced which couples NONMEM parameter estimation and model fitness evaluation to a single-objective, hybrid genetic algorithm for global optimization of the model structure. In this study, the generalizability of this approach for pharmacokinetic model building is evaluated by comparing (1) correct and spurious covariate relationships in a simulated dataset resulting from automated stepwise covariate modeling, Lasso methods, and single-objective hybrid genetic algorithm approaches to covariate identification and (2) information criteria values, model structures, convergence, and model parameter values resulting from manual stepwise versus single-objective, hybrid genetic algorithm approaches to model building for seven compounds. Both manual stepwise and single-objective, hybrid genetic algorithm approaches to model building were applied, blinded to the results of the other approach, for selection of the compartment structure as well as inclusion and model form of inter-individual and inter-occasion variability, residual error, and covariates from a common set of model options. For the simulated dataset, stepwise covariate modeling identified three of four true covariates and two spurious covariates; Lasso identified two of four true and 0 spurious covariates; and the single-objective, hybrid genetic algorithm identified three of four true covariates and one spurious covariate. For the clinical datasets, the Akaike information criterion was a median of 22.3 points lower (range of 470.5 point decrease to 0.1 point decrease) for the best single-objective hybrid genetic-algorithm candidate model versus the final manual stepwise model: the Akaike information criterion was lower by greater than 10 points for four compounds and differed by less than 10 points for three compounds. The root mean squared error and absolute mean prediction error of the best single-objective hybrid genetic algorithm candidates were a median of 0.2 points higher (range of 38.9 point decrease to 27.3 point increase) and 0.02 points lower (range of 0.98 point decrease to 0.74 point increase), respectively, than that of the final stepwise models. In addition, the best single-objective, hybrid genetic algorithm candidate models had successful convergence and covariance steps for each compound, used the same compartment structure as the manual stepwise approach for 6 of 7 (86 %) compounds, and identified 54 % (7 of 13) of covariates included by the manual stepwise approach and 16 covariate relationships not included by manual stepwise models. The model parameter values between the final manual stepwise and best single-objective, hybrid genetic algorithm models differed by a median of 26.7 % (q₁ = 4.9 % and q₃ = 57.1 %). Finally, the single-objective, hybrid genetic algorithm approach was able to identify models capable of estimating absorption rate parameters for four compounds that the manual stepwise approach did not identify. The single-objective, hybrid genetic algorithm represents a general pharmacokinetic model building methodology whose ability to rapidly search the feasible solution space leads to nearly equivalent or superior model fits to pharmacokinetic data.

A statistical test of the stability assumption inherent in empirical estimates of economic depreciation.

PubMed

Shriver, K A

1986-01-01

Realistic estimates of economic depreciation are required for analyses of tax policy, economic growth and production, and national income and wealth. THe purpose of this paper is to examine the stability assumption underlying the econometric derivation of empirical estimates of economic depreciation for industrial machinery and and equipment. The results suggest that a reasonable stability of economic depreciation rates of decline may exist over time. Thus, the assumption of a constant rate of economic depreciation may be a reasonable approximation for further empirical economic analyses.

Partial compilation and revision of basic data in the WATEQ programs

USGS Publications Warehouse

Nordstrom, D. Kirk; Valentine, S.D.; Ball, J.W.; Plummer, Niel; Jones, B.F.

1984-01-01

Several portions of the basic data in the WATEQ series of computer programs (WATEQ, WATEQF, WATEQ2, WATEQ3, and PHREEQE) are compiled. The density and dielectric constant of water and their temperature dependence are evaluated for the purpose of updating the Debye-Huckel solvent parameters in the activity coefficient equations. The standard state thermodynamic properties of the Fe2+ and Fe3+ aqueous ions are refined. The main portion of this report is a comprehensive listing of aluminum hydrolysis constants, aluminum fluoride, aluminum sulfate, calcium chloride, magnesium chloride, potassium sulfate and sodium sulfate stability constants, solubility product constants for gibbsite and amorphous aluminum hydroxide, and the standard electrode potentials for Fe (s)/Fe2+(aq) and Fe2 +(aq)/Fe3+(aq). (USGS)

Variable selection with stepwise and best subset approaches

PubMed Central

2016-01-01

While purposeful selection is performed partly by software and partly by hand, the stepwise and best subset approaches are automatically performed by software. Two R functions stepAIC() and bestglm() are well designed for stepwise and best subset regression, respectively. The stepAIC() function begins with a full or null model, and methods for stepwise regression can be specified in the direction argument with character values “forward”, “backward” and “both”. The bestglm() function begins with a data frame containing explanatory variables and response variables. The response variable should be in the last column. Varieties of goodness-of-fit criteria can be specified in the IC argument. The Bayesian information criterion (BIC) usually results in more parsimonious model than the Akaike information criterion. PMID:27162786

Melanin fluorescence spectra by step-wise three photon excitation

NASA Astrophysics Data System (ADS)

Lai, Zhenhua; Kerimo, Josef; DiMarzio, Charles A.

2012-03-01

Melanin is the characteristic chromophore of human skin with various potential biological functions. Kerimo discovered enhanced melanin fluorescence by stepwise three-photon excitation in 2011. In this article, step-wise three-photon excited fluorescence (STPEF) spectrum between 450 nm -700 nm of melanin is reported. The melanin STPEF spectrum exhibited an exponential increase with wavelength. However, there was a probability of about 33% that another kind of step-wise multi-photon excited fluorescence (SMPEF) that peaks at 525 nm, shown by previous research, could also be generated using the same process. Using an excitation source at 920 nm as opposed to 830 nm increased the potential for generating SMPEF peaks at 525 nm. The SMPEF spectrum peaks at 525 nm photo-bleached faster than STPEF spectrum.

Three-dimensional hierarchical NiCo2O4 nanowire@Ni3S2 nanosheet core/shell arrays for flexible asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Bo; Kong, Dezhi; Huang, Zhi Xiang; Mo, Runwei; Wang, Ye; Han, Zhaojun; Cheng, Chuanwei; Yang, Hui Ying

2016-05-01

Three-dimensional (3D) hierarchical NiCo2O4@Ni3S2 core/shell arrays on Ni foam were synthesized by a facile, stepwise synthesis approach. The 3D heterogeneous NiCo2O4 nanostructure forms an interconnected web-like scaffold and serves as the core for the Ni3S2 shell. The as-prepared NiCo2O4@Ni3S2 nanowire array (NWA) electrodes exhibited excellent electrochemical performance, such as high specific areal capacitance and excellent cycling stability. The specific areal capacitance of 3.0 F cm-2 at a current density of 5 mA cm-2 is among the highest values and the only 6.7% capacitance decay after 10 000 cycles demonstrates the excellent cycling stability. A flexible asymmetric supercapacitor (ASC) was fabricated with activated carbon (AC) as the anode and the obtained NiCo2O4@Ni3S2 NWAs as the cathode. The ASC device exhibited a high energy density of 1.89 mW h cm-3 at 5.81 W cm-3 and a high power density of 56.33 W cm-3 at 0.94 mW h cm-3. As a result, the hybrid nanoarchitecture opens a new way to design high performance electrodes for electrochemical energy storage applications.Three-dimensional (3D) hierarchical NiCo2O4@Ni3S2 core/shell arrays on Ni foam were synthesized by a facile, stepwise synthesis approach. The 3D heterogeneous NiCo2O4 nanostructure forms an interconnected web-like scaffold and serves as the core for the Ni3S2 shell. The as-prepared NiCo2O4@Ni3S2 nanowire array (NWA) electrodes exhibited excellent electrochemical performance, such as high specific areal capacitance and excellent cycling stability. The specific areal capacitance of 3.0 F cm-2 at a current density of 5 mA cm-2 is among the highest values and the only 6.7% capacitance decay after 10 000 cycles demonstrates the excellent cycling stability. A flexible asymmetric supercapacitor (ASC) was fabricated with activated carbon (AC) as the anode and the obtained NiCo2O4@Ni3S2 NWAs as the cathode. The ASC device exhibited a high energy density of 1.89 mW h cm-3 at 5.81 W cm-3 and a high power density of 56.33 W cm-3 at 0.94 mW h cm-3. As a result, the hybrid nanoarchitecture opens a new way to design high performance electrodes for electrochemical energy storage applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02600a

Lattice constants and expansivities of gas hydrates from 10 K up to the stability limit

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

Hansen, T. C.; Falenty, A.; Kuhs, W. F.

2016-02-07

The lattice constants of hydrogenated and deuterated CH{sub 4}-, CO{sub 2}-, Xe- (clathrate structure type I) and N{sub 2}-hydrates (clathrate structure type II) from 10 K up to the stability limit were established in neutron- and synchrotron diffraction experiments and were used to derive the related thermal expansivities. The following results emerge from this analysis: (1) The differences of expansivities of structure type I and II hydrates are fairly small. (2) Despite the larger guest-size of CO{sub 2} as compared to methane, CO{sub 2}-hydrate has the smaller lattice constants at low temperatures, which is ascribed to the larger attractive guest-hostmore » interaction of the CO{sub 2}-water system. (3) The expansivity of CO{sub 2}-hydrate is larger than for CH{sub 4}-hydrate which leads to larger lattice constants for the former at temperatures above ∼150 K; this is likely due to the higher motional degrees of freedom of the CO{sub 2} guest molecules. (4) The cage occupancies of Xe- and CO{sub 2}-hydrates affect significantly the lattice constants. (5) Similar to ice Ih, the deuterated compounds have generally slightly larger lattice constants which can be ascribed to the somewhat weaker H-bonding. (6) Compared to ice Ih, the high temperature expansivities are about 50% larger; in contrast to ice Ih and the empty hydrate, there is no negative thermal expansion at low temperature. (7) A comparison of the experimental results with lattice dynamical work, with models based on an Einstein oscillator model, and results from inelastic neutron scattering suggest that the contribution of the guest atoms’ vibrational energy to thermal expansion is important, most prominently for CO{sub 2}- and Xe-hydrates.« less

Fluid-Structure Interaction Modeling of Intracranial Aneurysm Hemodynamics: Effects of Different Assumptions

NASA Astrophysics Data System (ADS)

Rajabzadeh Oghaz, Hamidreza; Damiano, Robert; Meng, Hui

2015-11-01

Intracranial aneurysms (IAs) are pathological outpouchings of cerebral vessels, the progression of which are mediated by complex interactions between the blood flow and vasculature. Image-based computational fluid dynamics (CFD) has been used for decades to investigate IA hemodynamics. However, the commonly adopted simplifying assumptions in CFD (e.g. rigid wall) compromise the simulation accuracy and mask the complex physics involved in IA progression and eventual rupture. Several groups have considered the wall compliance by using fluid-structure interaction (FSI) modeling. However, FSI simulation is highly sensitive to numerical assumptions (e.g. linear-elastic wall material, Newtonian fluid, initial vessel configuration, and constant pressure outlet), the effects of which are poorly understood. In this study, a comprehensive investigation of the sensitivity of FSI simulations in patient-specific IAs is investigated using a multi-stage approach with a varying level of complexity. We start with simulations incorporating several common simplifications: rigid wall, Newtonian fluid, and constant pressure at the outlets, and then we stepwise remove these simplifications until the most comprehensive FSI simulations. Hemodynamic parameters such as wall shear stress and oscillatory shear index are assessed and compared at each stage to better understand the sensitivity of in FSI simulations for IA to model assumptions. Supported by the National Institutes of Health (1R01 NS 091075-01).

Distinguishing between deep trapping transients of electrons and holes in TiO2 nanotube arrays using planar microwave resonator sensor.

PubMed

Zarifi, Mohammad H; Wiltshire, Benjamin Daniel; Mahdi, Najia; Shankar, Karthik; Daneshmand, Mojgan

2018-05-16

A large signal DC bias and a small signal microwave bias were simultaneously applied to TiO2 nanotube membranes mounted on a planar microwave resonator. The DC bias modulated the electron concentration in the TiO2 nanotubes, and was varied between 0 and 120 V in this study. Transients immediately following the application and removal of DC bias were measured by monitoring the S-parameters of the resonator as a function of time. The DC bias stimulated Poole-Frenkel type trap-mediated electrical injection of excess carriers into TiO2 nanotubes which resulted in a near constant resonant frequency but a pronounced decrease in the microwave amplitude due to free electron absorption. When ultraviolet illumination and DC bias were both present and then step-wise removed, the resonant frequency shifted due to trapping -mediated change in the dielectric constant of the nanotube membranes. Characteristic lifetimes of 60-80 s, 300-800 s and ~3000 s were present regardless of whether light or bias was applied and are also observed in the presence of a hole scavenger, which we attribute to oxygen adsorption and deep electron traps while another characteristic lifetime > 9000 s was only present when illumination was applied, and is attributed to the presence of hole traps.

Application of growth-phase based light-feeding strategies to simultaneously enhance Chlorella vulgaris growth and lipid accumulation.

PubMed

Sun, Yahui; Liao, Qiang; Huang, Yun; Xia, Ao; Fu, Qian; Zhu, Xun; Fu, Jingwei; Li, Jun

2018-05-01

Considering the variations of optimal light intensity required by microalgae cells along with growth phases, growth-phase light-feeding strategies were proposed and verified in this paper, aiming at boosting microalgae lipid productivity from the perspective of light conditions optimization. Experimental results demonstrate that under an identical time-averaged light intensity, the light-feeding strategies characterized by stepwise incremental light intensities showed a positive effect on biomass and lipid accumulation. The lipid productivity (235.49 mg L -1  d -1 ) attained under light-feeding strategy V (time-averaged light intensity: 225 μmol m -2  s -1 ) was 52.38% higher over that obtained under a constant light intensity of 225 μmol m -2  s -1 . Subsequently, based on light-feeding strategy V, microalgae lipid productivity was further elevated to 312.92 mg L -1  d -1 employing a two-stage based light-feeding strategy V 560 (time-averaged light intensity: 360 μmol m -2  s -1 ), which was 79.63% higher relative to that achieved under a constant light intensity of 360 μmol m -2  s -1 . Copyright © 2018 Elsevier Ltd. All rights reserved.

Mechanistic insight into the hydrazine decomposition on Rh(111): effect of reaction intermediate on catalytic activity.

PubMed

Deng, Zhigang; Lu, Xiaoqing; Wen, Zengqiang; Wei, Shuxian; Liu, Yunjie; Fu, Dianling; Zhao, Lianming; Guo, Wenyue

2013-10-14

Periodic density functional theory (DFT) calculations have been performed to systematically investigate the effect of reaction intermediate on catalytic activity for hydrazine (N2H4) decomposition on Rh(111). Reaction mechanisms via intramolecular and NH2-assisted N2H4 decompositions are comparatively analyzed, including adsorption configuration, reaction energy and barrier of elementary step, and reaction network. Our results show that the most favorable N2H4 decomposition pathway starts with the initial N-N bond scission to the NH2 intermediate, followed by stepwise H stripping from adsorbed N2Hx (x = 1-4) species, and finally forms the N2 and NH3 products. Comparatively, the stepwise intramolecular dehydrogenation via N2H4→ N2H3→ N2H2→ N2H → N2, and N2H4→ NH2→ NH → N with or without NH2 promotion effect, are unfavorable due to higher energy barriers encountered. Energy barrier analysis, reaction rate constants, and electronic structures are used to identify the crucial competitive route. The promotion effect of the NH2 intermediate is structurally reflected in the weakening of the N-H bond and strengthening of the N-N bond in N2Hx in the coadsorption system; it results intrinsically from the less structural deformation of the adsorbate, and weakening of the interaction between dehydrogenated fragment and departing H in transition state. Our results highlight the crucial effect of reaction intermediate on catalytic activity and provide a theoretical approach to analyze the effect.

Preliminary Experimental Examination Of Controls On Methane Expulsion During Melting Of Natural Gas Hydrate Systems

NASA Astrophysics Data System (ADS)

Kneafsey, T. J.; Flemings, P. B.; Bryant, S. L.; You, K.; Polito, P. J.

2013-12-01

Global climate change will cause warming of the oceans and land. This will affect the occurrence, behavior, and location of subseafloor and subterranean methane hydrate deposits. We suggest that in many natural systems local salinity, elevated by hydrate formation or freshened by hydrate dissociation, may control gas transport through the hydrate stability zone. We are performing experiments and modeling the experiments to explore this behavior for different warming scenarios. Initially, we are exploring hydrate association/dissociation in saline systems with constant water mass. We compare experiments run with saline (3.5 wt. %) water vs. distilled water in a sand mixture at an initial water saturation of ~0.5. We increase the pore fluid (methane) pressure to 1050 psig. We then stepwise cool the sample into the hydrate stability field (~3 degrees C), allowing methane gas to enter as hydrate forms. We measure resistivity and the mass of methane consumed. We are currently running these experiments and we predict our results from equilibrium thermodynamics. In the fresh water case, the modeled final hydrate saturation is 63% and all water is consumed. In the saline case, the modeled final hydrate saturation is 47%, the salinity is 12.4 wt. %, and final water saturation is 13%. The fresh water system is water-limited: all the water is converted to hydrate. In the saline system, pore water salinity is elevated and salt is excluded from the hydrate structure during hydrate formation until the salinity drives the system to three phase equilibrium (liquid, gas, hydrate) and no further hydrate forms. In our laboratory we can impose temperature gradients within the column, and we will use this to investigate equilibrium conditions in large samples subjected to temperature gradients and changing temperature. In these tests, we will quantify the hydrate saturation and salinity over our meter-long sample using spatially distributed temperature sensors, spatially distributed resistivity probes, compressional wave velocities, and X-ray computed tomography scanning. Modeling of hydrate formation and dissociation for these conditions indicates that the transport of bulk fluid phases (gas and water) plays a crucial role in the overall behavior, and we will explore open-system boundary conditions in the experiments to test this prediction.

The evolution of complex life cycles when parasite mortality is size- or time-dependent.

PubMed

Ball, M A; Parker, G A; Chubb, J C

2008-07-07

In complex cycles, helminth larvae in their intermediate hosts typically grow to a fixed size. We define this cessation of growth before transmission to the next host as growth arrest at larval maturity (GALM). Where the larval parasite controls its own growth in the intermediate host, in order that growth eventually arrests, some form of size- or time-dependent increase in its death rate must apply. In contrast, the switch from growth to sexual reproduction in the definitive host can be regulated by constant (time-independent) mortality as in standard life history theory. We here develop a step-wise model for the evolution of complex helminth life cycles through trophic transmission, based on the approach of Parker et al. [2003a. Evolution of complex life cycles in helminth parasites. Nature London 425, 480-484], but which includes size- or time-dependent increase in mortality rate. We assume that the growing larval parasite has two components to its death rate: (i) a constant, size- or time-independent component, and (ii) a component that increases with size or time in the intermediate host. When growth stops at larval maturity, there is a discontinuous change in mortality to a constant (time-independent) rate. This model generates the same optimal size for the parasite larva at GALM in the intermediate host whether the evolutionary approach to the complex life cycle is by adding a new host above the original definitive host (upward incorporation), or below the original definitive host (downward incorporation). We discuss some unexplored problems for cases where complex life cycles evolve through trophic transmission.

Insufficient stability of pedicle screws in osteoporotic vertebrae: biomechanical correlation of bone mineral density and pedicle screw fixation strength.

PubMed

Weiser, Lukas; Huber, Gerd; Sellenschloh, Kay; Viezens, Lennart; Püschel, Klaus; Morlock, Michael M; Lehmann, Wolfgang

2017-11-01

Loosening of pedicle screws is one major complication of posterior spinal stabilisation, especially in the patients with osteoporosis. Augmentation of pedicle screws with cement or lengthening of the instrumentation is widely used to improve implant stability in these patients. However, it is still unclear from which value of bone mineral density (BMD) the stability of pedicle screws is insufficient and an additional stabilisation should be performed. The aim of this study was to investigate the correlation of bone mineral density and pedicle screw fatigue strength as well as to define a threshold value for BMD below which an additional stabilisation is recommended. Twenty-one human T12 vertebral bodies were collected from donors between 19 and 96 years of age and the BMD was measured using quantitative computed tomography. Each vertebral body was instrumented with one pedicle screw and mounted in a servo-hydraulic testing machine. Fatigue testing was performed by implementing a cranio-caudal sinusoidal, cyclic (0.5 Hz) load with stepwise increasing peak force. A significant correlation between BMD and cycles to failure (r = 0.862, r 2  = 0.743, p < 0.001) as well as for the linearly related fatigue load was found. Specimens with BMD below 80 mg/cm 3 only reached 45% of the cycles to failure and only 60% of the fatigue load compared to the specimens with adequate bone quality (BMD > 120 mg/cm 3 ). There is a close correlation between BMD and pedicle screw stability. If the BMD of the thoracolumbar spine is less than 80 mg/cm 3 , stability of pedicle screws might be insufficient and an additional stabilisation should be considered.

Nonlinear power flow feedback control for improved stability and performance of airfoil sections

DOEpatents

Wilson, David G.; Robinett, III, Rush D.

2013-09-03

A computer-implemented method of determining the pitch stability of an airfoil system, comprising using a computer to numerically integrate a differential equation of motion that includes terms describing PID controller action. In one model, the differential equation characterizes the time-dependent response of the airfoil's pitch angle, .alpha.. The computer model calculates limit-cycles of the model, which represent the stability boundaries of the airfoil system. Once the stability boundary is known, feedback control can be implemented, by using, for example, a PID controller to control a feedback actuator. The method allows the PID controller gain constants, K.sub.I, K.sub.p, and K.sub.d, to be optimized. This permits operation closer to the stability boundaries, while preventing the physical apparatus from unintentionally crossing the stability boundaries. Operating closer to the stability boundaries permits greater power efficiencies to be extracted from the airfoil system.

Stability and the Evolvability of Function in a Model Protein

PubMed Central

Bloom, Jesse D.; Wilke, Claus O.; Arnold, Frances H.; Adami, Christoph

2004-01-01

Functional proteins must fold with some minimal stability to a structure that can perform a biochemical task. Here we use a simple model to investigate the relationship between the stability requirement and the capacity of a protein to evolve the function of binding to a ligand. Although our model contains no built-in tradeoff between stability and function, proteins evolved function more efficiently when the stability requirement was relaxed. Proteins with both high stability and high function evolved more efficiently when the stability requirement was gradually increased than when there was constant selection for high stability. These results show that in our model, the evolution of function is enhanced by allowing proteins to explore sequences corresponding to marginally stable structures, and that it is easier to improve stability while maintaining high function than to improve function while maintaining high stability. Our model also demonstrates that even in the absence of a fundamental biophysical tradeoff between stability and function, the speed with which function can evolve is limited by the stability requirement imposed on the protein. PMID:15111394

Stepwise hydrolysis to improve carbon releasing efficiency from sludge.

PubMed

Liu, Hongbo; Wang, Yuanyuan; Wang, Ling; Yu, Tiantian; Fu, Bo; Liu, He

2017-08-01

Based on thermal alkaline hydrolysis (TAH), a novel strategy of stepwise hydrolysis was developed to improve carbon releasing efficiency from waste activated sludge (WAS). By stepwise increasing hydrolysis intensity, conventional sludge hydrolysis (the control) was divided into four stages for separately recovering sludge carbon sources with different bonding strengths, namely stage 1 (60 °C, pH 6.0-8.0), stage 2 (80 °C, pH 6.0-8.0), stage 3 (80 °C, pH 10.0) and stage 4 (90 °C, pH 12.0). Results indicate stepwise hydrolysis could enhance the amount of released soluble chemical oxygen demand (SCOD) for almost 2 times, from 7200 to 14,693 mg/L, and the released carbon presented better biodegradability, with BOD/COD of 0.47 and volatile fatty acids (VFAs) yield of 0.37 g VFAs/g SCOD via anaerobic fermentation. Moreover, stepwise hydrolysis also improved the dewaterability of hydrolyzed sludge, capillary suction time (CST) reducing from 2500 to 1600 s. Economic assessment indicates stepwise hydrolysis shows less alkali demand and lower thermal energy consumption than those of the control. Furthermore, results of this study help support the concepts of improving carbon recovery in wastewater by manipulating WAS composition and the idea of classifiably recovering the nutrients in WAS. Copyright © 2017 Elsevier Ltd. All rights reserved.

Design and Use of a Low Cost, Automated Morbidostat for Adaptive Evolution of Bacteria Under Antibiotic Drug Selection.

PubMed

Liu, Po C; Lee, Yi T; Wang, Chun Y; Yang, Ya-Tang

2016-09-27

We describe a low cost, configurable morbidostat for characterizing the evolutionary pathway of antibiotic resistance. The morbidostat is a bacterial culture device that continuously monitors bacterial growth and dynamically adjusts the drug concentration to constantly challenge the bacteria as they evolve to acquire drug resistance. The device features a working volume of ~10 ml and is fully automated and equipped with optical density measurement and micro-pumps for medium and drug delivery. To validate the platform, we measured the stepwise acquisition of trimethoprim resistance in Escherichia coli MG 1655, and integrated the device with a multiplexed microfluidic platform to investigate cell morphology and antibiotic susceptibility. The approach can be up-scaled to laboratory studies of antibiotic drug resistance, and is extendible to adaptive evolution for strain improvements in metabolic engineering and other bacterial culture experiments.

Branchy alumina nanotubes

NASA Astrophysics Data System (ADS)

Zou, Jianping; Pu, Lin; Bao, Ximao; Feng, Duan

2002-02-01

Branchy alumina nanotubes (bANTs) have been shown to exist in aluminum oxide. Electron-beam evaporated 400 nm Al film on Si substrate is stepwise anodized in dilute sulfuric acid under the constant dc voltage 40 V at 10.0 °C. This electrochemical-anodizing route resulted in the formation of individual bANTs. Transmission electron microscopy showed that the length of the bANTs was around 450 nm, and the inner diameter was around 10-20 nm. We deduced that the bANTs, the completely detached multibranchy cells of anodic porous alumina (APA) film, should be evolved from the stagnant cells of the APA mother film. The bANTs may be used as templates in fabrication of individual branchy nanoscale cables, jacks, and heterojunctions. The proposed formation mechanisms of the bANTs and the stagnant cells should give some insights into the long-standing problem of APA film, i.e., the self-ordering mechanism of the cells arrangement in porous anodization of aluminum.

Impact of longitudinal flying qualities upon the design of a transport with active controls

NASA Technical Reports Server (NTRS)

Sliwa, S. M.

1980-01-01

Direct constrained parameter optimization was used to optimally size a medium range transport for minimum direct operating cost. Several stability and control constraints were varied to study the sensitivity of the configuration to specifying the unaugmented flying qualities of transports designed with relaxed static stability. Additionally, a number of handling quality related design constants were studied with respect to their impact to the design.

Wind-Tunnel Investigation at Subsonic and Supersonic Speeds of a Fighter Model Employing a Low-Aspect-Ratio Unswept Wing and a Horizontal Tail Mounted Well Above the Wing Plane - Longitudinal Stability and Control

NASA Technical Reports Server (NTRS)

Smith, Williard G.

1954-01-01

Experimental results showing the static longitudinal-stability and control characteristics of a model of a fighter airplane employing a low-aspect-ratio unswept wing and an all-movable horizontal tail are presented. The investigation was made over a Mach number range from 0.60 to 0.90 and from 1.35 to 1.90 at a constant Reynolds number of 2.40 million, based on the wing mean aerodynamic chord. Because of the location of the horizontal tail at the tip of the vertical tail, interference was noted between the vertical tail and the horizontal tail and between the wing and the horizontal tail. This interference produced a positive pitching-moment coefficient at zero lift throughout the Mach number range of the tests, reduced the change in stability with increasing lift coefficient of the wing at moderate lift coefficients in the subsonic speed range, and reduced the stability at low lift coefficients at high supersonic speeds. The lift and pitching-moment effectiveness of the all movable tail was unaffected by the interference effects and was constant throughout the lift-coefficient range of the tests at each Mach number except 1.90.

ELLIPSOMETRIC MEASUREMENTS OF THE THERMAL STABILITY OF ALTERNATIVE FUELS

PubMed Central

Nash, Leigh; Klettlinger, Jennifer; Vasu, Subith

2017-01-01

Thermal stability is an important characteristic of alternative fuels that must be evaluated before they can be used in aviation engines. Thermal stability refers to the degree to which a fuel breaks down when it is heated prior to combustion. This characteristic is of great importance to the effectiveness of the fuel as a coolant and to the engine’s combustion performance. The thermal stability of Sasol IPK, a synthetic alternative to Jet-A, with varying levels of naphthalene has been studied on aluminum and stainless steel substrates at 300 to 400 °C. This was conducted using a spectroscopic ellipsometer to measure the thickness of deposits left on the heated substrates. Ellipsometry is an optical technique that measures the changes in a light beam’s polarization and intensity after it reflects from a thin film to determine the film’s physical and optical properties. It was observed that, as would be expected, increasing the temperature minimally increased the deposit thickness for a constant concentration of naphthalene on both substrates. The repeatability of these measurements was verified using multiple trials at identical test conditions. Lastly, the effect of increasing the naphthalene concentration at a constant temperature was found to also minimally increase the deposit thickness. PMID:28966427

Hammerhead ribozyme activity and oligonucleotide duplex stability in mixed solutions of water and organic compounds

PubMed Central

Nakano, Shu-ichi; Kitagawa, Yuichi; Miyoshi, Daisuke; Sugimoto, Naoki

2014-01-01

Nucleic acids are useful for biomedical targeting and sensing applications in which the molecular environment is different from that of a dilute aqueous solution. In this study, the influence of various types of mixed solutions of water and water-soluble organic compounds on RNA was investigated by measuring the catalytic activity of the hammerhead ribozyme and the thermodynamic stability of an oligonucleotide duplex. The compounds with a net neutral charge, such as poly(ethylene glycol), small primary alcohols, amide compounds, and aprotic solvent molecules, added at high concentrations changed the ribozyme-catalyzed RNA cleavage rate, with the magnitude of the effect dependent on the NaCl concentration. These compounds also changed the thermodynamic stability of RNA base pairs of an oligonucleotide duplex and its dependence on the NaCl concentration. Specific interactions with RNA molecules and reduced water activity could account for the inhibiting effects on the ribozyme catalysis and destabilizing effects on the duplex stability. The salt concentration dependence data correlated with the dielectric constant, but not with water activity, viscosity, and the size of organic compounds. This observation suggests the significance of the dielectric constant effects on the RNA reactions under molecular crowding conditions created by organic compounds. PMID:25161873

Osmolytic Effect of Sucrose on Thermal Denaturation of Pea Seedling Copper Amine Oxidase.

PubMed

Amani, Mojtaba; Barzegar, Aboozar; Mazani, Mohammad

2017-04-01

Protein stability is a subject of interest by many researchers. One of the common methods to increase the protein stability is using the osmolytes. Many studies and theories analyzed and explained osmolytic effect by equilibrium thermodynamic while most proteins undergo an irreversible denaturation. In current study we investigated the effect of sucrose as an osmolyte on the thermal denaturation of pea seedlings amine oxidase by the enzyme activity, fluorescence spectroscopy, circular dichroism, and differential scanning calorimetry. All experiments are in agreement that pea seedlings amine oxidase denaturation is controlled kinetically and its kinetic stability is increased in presence of sucrose. Differential scanning calorimetry experiments at different scanning rates showed that pea seedlings amine oxidase unfolding obeys two-state irreversible model. Fitting the differential scanning calorimetry data to two-state irreversible model showed that unfolding enthalpy and T * , temperature at which rate constant equals unit per minute, are increased while activation energy is not affected by increase in sucrose concentration. We concluded that osmolytes decrease the molecular oscillation of irreversible proteins which leads to decline in unfolding rate constant.

Discrimination of Geographical Origin of Asian Garlic Using Isotopic and Chemical Datasets under Stepwise Principal Component Analysis.

PubMed

Liu, Tsang-Sen; Lin, Jhen-Nan; Peng, Tsung-Ren

2018-01-16

Isotopic compositions of δ 2 H, δ 18 O, δ 13 C, and δ 15 N and concentrations of 22 trace elements from garlic samples were analyzed and processed with stepwise principal component analysis (PCA) to discriminate garlic's country of origin among Asian regions including South Korea, Vietnam, Taiwan, and China. Results indicate that there is no single trace-element concentration or isotopic composition that can accomplish the study's purpose and the stepwise PCA approach proposed does allow for discrimination between countries on a regional basis. Sequentially, Step-1 PCA distinguishes garlic's country of origin among Taiwanese, South Korean, and Vietnamese samples; Step-2 PCA discriminates Chinese garlic from South Korean garlic; and Step-3 and Step-4 PCA, Chinese garlic from Vietnamese garlic. In model tests, countries of origin of all audit samples were correctly discriminated by stepwise PCA. Consequently, this study demonstrates that stepwise PCA as applied is a simple and effective approach to discriminating country of origin among Asian garlics. © 2018 American Academy of Forensic Sciences.

A Brane Model, Its Ads-DS States and Their Agitated Extra Dimensions

NASA Astrophysics Data System (ADS)

Günther, Uwe; Vargas Moniz, Paulo; Zhuk, Alexander

2006-02-01

We consider multidimensional gravitational models with a nonlinear scalar curvature term and form fields. It is assumed that the higher dimensional spacetime undergoes a spontaneous compactification to a warped product manifold. Particular attention is paid to models with quadratic scalar curvature terms and a Freund-Rubin-like ansatz for solitonic form fields. It is shown that for certain parameter ranges the extra dimensions are stabilized for any sign of the internal space curvature, the bulk cosmological constant and of the effective four-dimensional cosmological constant. Moreover, the effective cosmological constant can satisfy the observable limit on the dark energy density.

The Stability of Outcropping Ocean Eddies

NASA Astrophysics Data System (ADS)

Paldor, N.; Cohen, Y.; Dvorkin, Y.

2017-12-01

In the end of the last century numerous ship-borne observations and linear instability studies have addressed the long life span of meso-scale ocean eddies. These eddies are observed to persist in the ocean for periods of 2-3 years with little deformation. As eddy instabilities occur because Rossby waves in the surrounding (assumed motionless) ocean interact with various waves in the eddy itself, the stability was attributed to some eddy structure that hinders such wave-wave interactions. However, instabilities with growthrates of the order of the inertial period were found in various multilayer models including hypothesized structures and several observed eddy structures. A solution to the difference between instability theory and observed stability was ultimately suggested by relaxing the assumption of a motionless ocean that surrounds the eddy and prescribing the mean flow in the ocean such that it counterbalances the depth changes imposed by the eddy while maintaining a constant PV-ocean. This hypothesis was successfully applied to Gaussian eddies for mathematical simplicity. Yet, the Gaussian eddy has no surface front - thus avoiding instabilities that involve frontal waves - and it disagrees with observation that clearly show that most eddies have surface fronts. Here the constant PV ocean hypothesis is applied to two frontal eddies: constant PV-eddies and solidly rotating eddy. A complete account of the mean flow of the coupled eddy-ocean system is analyzed using a canonical formulation of the gradient balance. The phase speeds of waves in the eddy-ocean system are computed by a shooting method. Both eddies are found to be unstable in motionless ocean, yet in a constant PV-ocean no instabilities are found using the exact same numerical search. While many eddy structures can be hypothesized there are only a handful of physical mechanisms for instability and in these eddies the assumed constant PV-ocean negates many of these physical mechanisms for instability. This implies that meso-scale eddies should be stable in a constant PV ocean, regardless to their structure, which is not precisely one of the above mentioned. This theory stimulates observations of the ocean under the eddies. To maintain the uniform PV value, relative vorticity must develop in the ocean under the eddy as it moves in the ocean.

Novel insights of microRNAs in the development of systemic lupus erythematosus.

PubMed

Le, Xiong; Yu, Xiang; Shen, Nan

2017-09-01

To provide a brief overview of recent progress in microRNA biogenesis and homeostasis, its function in immune system and systemic lupus erythematosus (SLE), as well as successful microRNA-based therapy in vivo. Stepwise microRNA biogenesis is elaborately regulated at multiple levels, ranging from transcription to ultimate function. Mature microRNAs have inhibitory effects on various biological molecules, which are crucial for stabilizing and normalizing differentiation and function of immune cells. Abnormality in microRNA expression contributes to dysfunction of lupus immune cells and resident cells in local tissues. Manipulation of dysregulated microRNAs in vivo through microRNA delivery or targeting microRNA might be promising for SLE treatment. Recent advances highlight that microRNAs are important in immunity, lupus autoimmunity and as potential therapy target for SLE.

Substituent effects in double-helical hydrogen-bonded AAA-DDD complexes.

PubMed

Wang, Hong-Bo; Mudraboyina, Bhanu P; Wisner, James A

2012-01-27

Two series of DDD and AAA hydrogen-bond arrays were synthesized that form triply-hydrogen-bonded double-helical complexes when combined in CDCl(3) solution. Derivatization of the DDD arrays with electron-withdrawing groups increases the complex association constants by up to a factor of 30 in those arrays examined. Derivatization of the AAA arrays with electron donating substituents reveals a similar magnitude effect on the complex stabilities. The effect of substitution on both types of arrays are modeled quite satisfactorily (R(2) > 0.96 in all cases) as free energy relationships with respect to the sums of their Hammett substituent constants. In all, the complex stabilities can be manipulated over more than three orders of magnitude (>20 kJ mol(-1)) using this type of modification. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stability of Dirac Liquids with Strong Coulomb Interaction.

PubMed

Tupitsyn, Igor S; Prokof'ev, Nikolay V

2017-01-13

We develop and apply the diagrammatic Monte Carlo technique to address the problem of the stability of the Dirac liquid state (in a graphene-type system) against the strong long-range part of the Coulomb interaction. So far, all attempts to deal with this problem in the field-theoretical framework were limited either to perturbative or random phase approximation and functional renormalization group treatments, with diametrically opposite conclusions. Our calculations aim at the approximation-free solution with controlled accuracy by computing vertex corrections from higher-order skeleton diagrams and establishing the renormalization group flow of the effective Coulomb coupling constant. We unambiguously show that with increasing the system size L (up to ln(L)∼40), the coupling constant always flows towards zero; i.e., the two-dimensional Dirac liquid is an asymptotically free T=0 state with divergent Fermi velocity.

Calculated temperature dependence of elastic constants and phonon dispersion of hcp and bcc beryllium

NASA Astrophysics Data System (ADS)

Hahn, Steven; Arapan, Sergiu; Harmon, Bruce; Eriksson, Olle

2011-03-01

Conventional first principle methods for calculating lattice dynamics are unable to calculate high temperature thermophysical properties of materials containing modes that are entropically stabilized. In this presentation we use a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD) to study the hcp to bcc transition (1530 K) in beryllium. The SCAILD method goes beyond the harmonic approximation to include phonon-phonon interactions and produces a temperature-dependent phonon dispersion. In the high temperature bcc structure, phonon-phonon interactions dynamically stabilize the N-point phonon. Fits to the calculated phonon dispersion were used to determine the temperature dependence of the elastic constants in the hcp and bcc phases. Work at the Ames Laboratory was supported by the Department of Energy-Basic Energy Sciences under Contract No. DE-AC02-07CH11358.

Interaction of Cesium Ions with Calix[4]arene-bis(t-octylbenzo-18-crown-6): NMR and Theoretical Study

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

Kriz, Jaroslav; Dybal, Jiri; Vanura, Petr

2011-01-01

Using 1H, 13C, and 133Cs NMR spectra, it is shown that calix[4]arene-bis (t-octylbenzo-18-crown-6) (L) forms complexes with one (L 3 Cs ) and two (L 3 2Cs ) Cs ions offered by cesium bis(1,2-dicarbollide) cobaltate (CsDCC) in nitrobenzene-d5. The ions interact with all six oxygen atoms in the crown-ether ring and the electrons of the calixarene aromatic moieties. According to extraction technique, the stability constant of the first complex is log nb(L 3 Cs ) = 8.8 ( 0.1. According to 133Cs NMR spectra, the value of the equilibrium constant of the second complex is log Knb (2)(L 3 2Csmore » ) = 6.3(0.2, i.e., its stabilization constant is log nb(L 3 2Cs ) = 15.1 ( 0.3. Self-diffusion measurements by 1H pulsed-field gradient (PFG) NMRcombined with density functional theory (DFT) calculations suggest that one DCC ion is tightly associated with L 3 Cs , decreasing its positive charge and consequently stabilizing the second complex, L 3 2Cs . Using a saturation-transfer 133Cs NMR technique, the correlation times ex of chemical exchange between L 3 Cs and L 3 2Cs as well as between L 3 2Cs and free Cs ions were determined as 33.6 and 29.2 ms, respectively.« less

Copper(II) ion catalytic oxidation of o-phenylenediamine and characterization, X-ray crystal structure and solution studies of the final product [DAPH][H3O][Cu(dipic)2]·3H2O

NASA Astrophysics Data System (ADS)

Ghasemi, Khaled; Rezvani, Ali Reza; Shokrollahi, Ardeshir; Abdul Razak, Ibrahim; Refahi, Masoud; Moghimi, Abolghasem; Rosli, Mohd Mustaqim

2015-09-01

The complex [DAPH][H3O][Cu(dipic)2]·3H2O, (1) (dipicH2 = 2,6-pyridinedicarboxylic acid and DAP = 2,3-diaminophenazine) was prepared from the reaction of Cu(NO3)2·2H2O with mixture of o-phenylenediamine (OPD) and 2,6-pyridinedicarboxylic acid in water. The complex was characterized by FTIR, elemental analysis, UV-Vis and the single-crystal X-ray diffraction. The crystal system is monoclinic with the space group P21/c. This complex is stabilized in the solid state by an extensive network of hydrogen bonds between crystallized water, anionic and cationic fragments, which form a three-dimensional network. Furthermore, hydrogen bonds, π⋯π and Csbnd O⋯π stacking interactions seem to be effective in stabilizing the crystal structures. The protonation constants of dipic (L) and DAP (Q), the equilibrium constants for the dipic-DAP proton transfer system and the stoichiometry and stability constants of binary complexes including each of ligands (dipic, DAP) in presence Cu2+ ion, ternary complexes including, both of ligands (dipic-DAP) in presence of metal ion were calculated in aqueous solutions by potentiometric pH titration method using the Hyperquad2008 program. The stoichiometry of the most complexes species in solution was found to be very similar to the solid-state of cited metal ion complex.

New solutions of exotic charged black holes and their stability

NASA Astrophysics Data System (ADS)

Farhangkhah, N.

2016-01-01

We find a class of charged black hole solutions in third-order Lovelock Gravity. To obtain this class of solutions, we are not confined to the usual assumption of maximal symmetry on the horizon and will consider the solution whose boundary is Einstein space with supplementary conditions on its Weyl tensor. The Weyl tensor of such exotic horizons exposes two chargelike parameter to the solution. These parameters in addition with the electric charge, cause different features in comparison with the charged solution with constant-curvature horizon. For this class of asymptotically (A)dS solutions, the electric charge dominates the behavior of the metric as r goes to zero, and thus the central singularity is always timelike. We also compute the thermodynamic quantities for these solutions and will show that the first law of thermodynamics is satisfied. We also show that the extreme black holes with nonconstant-curvature horizons whose Ricci scalar are zero or a positive constant could exist depending on the value of the electric charge and chargelike parameters. Finally, we investigate the stability of the black holes by analyzing the behavior of free energy and heat capacity specially in the limits of small and large horizon radius. We will show that in contrast with charged solution with constant-curvature horizon, a phase transition occurs between very small and small black holes from a stable phase to an unstable one, while the large black holes show stability to both perturbative and nonperturbative fluctuations.

Stability analysis for stochastic BAM nonlinear neural network with delays

NASA Astrophysics Data System (ADS)

Lv, Z. W.; Shu, H. S.; Wei, G. L.

2008-02-01

In this paper, stochastic bidirectional associative memory neural networks with constant or time-varying delays is considered. Based on a Lyapunov-Krasovskii functional and the stochastic stability analysis theory, we derive several sufficient conditions in order to guarantee the global asymptotically stable in the mean square. Our investigation shows that the stochastic bidirectional associative memory neural networks are globally asymptotically stable in the mean square if there are solutions to some linear matrix inequalities(LMIs). Hence, the global asymptotic stability of the stochastic bidirectional associative memory neural networks can be easily checked by the Matlab LMI toolbox. A numerical example is given to demonstrate the usefulness of the proposed global asymptotic stability criteria.

On the origin of the halo stabilization.

PubMed

Trulsson, Martin; Jönsson, Bo; Labbez, Christophe

2013-01-14

Monte Carlo simulations show that charge-regulation alone can cause highly charged zirconium nanoparticles to adsorb to a similarly charged or neutral silica particle and thereby stabilizing the latter. This mechanism, referred to as halo stabilization, is quite general and applicable in a range of systems provided that pH, van der Waals forces, and dissociation constants of the charge-regulating particles are properly chosen. In our modeling we see an overall attraction at low volume fractions of nanoparticles, while at higher a repulsive barrier is created, stabilizing the microparticles and protecting them from aggregation. The charge-regulation mechanism also turns the silica surface from positively charged, without nanoparticles, to negatively charged in the presence of nanoparticles.

Layered double hydroxide stability. 1. Relative stabilities of layered double hydroxides and their simple counterparts

NASA Technical Reports Server (NTRS)

Boclair, J. W.; Braterman, P. S.

1999-01-01

Solutions containing di- and trivalent metal chlorides [M(II) = Mg2+, Zn2+, Co2+, Ni2+, Mn2+; M(III) = Al3+, Fe3+] were titrated with NaOH to yield hydrotalcite-like layered double hydroxides (LDH), [[M(II)]1-x[M(III)]x(OH)2][Cl]x yH2O, by way of M(III) hydroxide/hydrous oxide intermediates. Analysis of the resultant titration curves yields nominal solubility constants for the LDH. The corresponding LDH stabilities are in the order Mg < Mn < Co approximately Ni < Zn for M(II) and Al < Fe for M(III). The stability of LDH relative to the separate metal hydroxides/hydrous oxides is discussed.

Stabilization of model-based networked control systems

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

Miranda, Francisco; Instituto Politécnico de Viana do Castelo, Viana do Castelo; Abreu, Carlos

2016-06-08

A class of networked control systems called Model-Based Networked Control Systems (MB-NCSs) is considered. Stabilization of MB-NCSs is studied using feedback controls and simulation of stabilization for different feedbacks is made with the purpose to reduce the network trafic. The feedback control input is applied in a compensated model of the plant that approximates the plant dynamics and stabilizes the plant even under slow network conditions. Conditions for global exponential stabilizability and for the choosing of a feedback control input for a given constant time between the information moments of the network are derived. An optimal control problem to obtainmore » an optimal feedback control is also presented.« less

Assessing the accuracy and stability of variable selection ...

EPA Pesticide Factsheets

Random forest (RF) modeling has emerged as an important statistical learning method in ecology due to its exceptional predictive performance. However, for large and complex ecological datasets there is limited guidance on variable selection methods for RF modeling. Typically, either a preselected set of predictor variables are used, or stepwise procedures are employed which iteratively add/remove variables according to their importance measures. This paper investigates the application of variable selection methods to RF models for predicting probable biological stream condition. Our motivating dataset consists of the good/poor condition of n=1365 stream survey sites from the 2008/2009 National Rivers and Stream Assessment, and a large set (p=212) of landscape features from the StreamCat dataset. Two types of RF models are compared: a full variable set model with all 212 predictors, and a reduced variable set model selected using a backwards elimination approach. We assess model accuracy using RF's internal out-of-bag estimate, and a cross-validation procedure with validation folds external to the variable selection process. We also assess the stability of the spatial predictions generated by the RF models to changes in the number of predictors, and argue that model selection needs to consider both accuracy and stability. The results suggest that RF modeling is robust to the inclusion of many variables of moderate to low importance. We found no substanti

Navigating in foldonia: Using accelerated molecular dynamics to explore stability, unfolding and self-healing of the β-solenoid structure formed by a silk-like polypeptide

PubMed Central

Zhao, Binwu

2017-01-01

The β roll molecules with sequence (GAGAGAGQ)10 stack via hydrogen bonding to form fibrils which have been themselves been used to make viral capsids of DNA strands, supramolecular nanotapes and pH-responsive gels. Accelerated molecular dynamics (aMD) simulations are used to investigate the unfolding of a stack of two β roll molecules, (GAGAGAGQ)10, to shed light on the folding mechanism by which silk-inspired polypeptides form fibrils and to identify the dominant forces that keep the silk-inspired polypeptide in a β roll configuration. Our study shows that a molecule in a stack of two β roll molecules unfolds in a step-wise fashion mainly from the C terminal. The bottom template is found to play an important role in stabilizing the β roll structure of the molecule on top by strengthening the hydrogen bonds in the layer that it contacts. Vertical hydrogen bonds within the β roll structure are considerably weaker than lateral hydrogen bonds, signifying the importance of lateral hydrogen bonds in stabilizing the β roll structure. Finally, an intermediate structure was found containing a β hairpin and an anti-parallel β sheet consisting of strands from the top and bottom molecules, revealing the self-healing ability of the β roll stack. PMID:28329017

Stability Test of Partially Purified Bromelain from Pineapple (Ananas comosus (L.) Merr) Core Extract in Artificial Stomach Fluid

NASA Astrophysics Data System (ADS)

Setiasih, S.; Adimas, A. Ch. D.; Dzikria, V.; Hudiyono, S.

2018-01-01

This study aimed to isolate and purify bromelain from pineapple core (Ananascomosus (L.) Merr) accompanied by a stability test of its enzyme activity in artificial gastric juice. Purification steps start with fractionation by a precipitation method were carried out stepwise using several concentration of ammonium sulfate salt, followed by dialysis prosess and ion exchange chromatography on DEAE-cellulose column. Each step of purification produced an increasing specific activity in enzyme fraction, starting with crude extract, respectively: 0.276 U/mg; 14.591 U/mg; and 16.05 U/mg. Bromelain fraction with the highest level of purity was obtained in 50-80% ammonium sulphate fraction after dialyzed in the amount of 58.15 times compared to the crude extract. Further purification of the enzyme by DEAE-cellulose column produced bromelain which had a purity level 160-fold compared to crude enzyme. The result of bromelain stability test in artificial stomach juice by milk clotting units assay bromelain fraction have proteolytic activity in clotting milk substrate. Exposing bromelain fraction in artificial stomach juice which gave the highest core bromelain proteolytic activity was achieved at estimated volume of 0.4-0.5 mL. Exposure in a period of reaction time to artificial stomach juice that contained pepsin showed relatively stable proteolytic activity in the first 4 hours.

PD-PK evaluation of freeze-dried atorvastatin calcium-loaded poly-ε-caprolactone nanoparticles.

PubMed

Ahmed, Iman S; El-Hosary, Rania; Shalaby, Samia; Abd-Rabo, Marwa M; Elkhateeb, Dalia G; Nour, Samia

2016-05-17

In this work lyophilized poly-ε-caprolactone nanoparticles (NPs) loaded with atorvastatin calcium (AC) were developed in an attempt to improve the in-vivo performance of AC following oral administration. The individual and combined effects of several formulation variables were previously investigated using step-wise full factorial designs in order to produce optimized AC-NPs with predetermined characteristics including particle size, drug loading capacity, drug release profile and physical stability. Four optimized formulations were further subjected in this work to lyophilization to promote their long-term physical stability and were fully characterized. The pharmacodynamics (PD)/pharmacokinetics (PK) properties of two optimized freeze-dried AC-NPs formulations showing acceptable long-term stability were determined and compared to a marketed AC immediate release tablet (Lipitor(®)) in albino rats. PD results revealed that the two tested formulations were equally effective in reducing low density lipoproteins (LDL) and triglycerides (TG) levels when given in reduced doses compared to Lipitor(®) and showed no adverse effects. PK results, on the other hand, revealed that the two freeze-dried AC-NPs formulations were of significantly lower bioavailability compared to Lipitor(®). Taken together the PD and PK results demonstrate that the improved efficacy obtained at reduced doses from the freeze-dried AC-NPs could be due to increased concentration of AC in the liver rather than in the plasma. Copyright © 2016 Elsevier B.V. All rights reserved.

Effect of Isomorphous Substitution on the Thermal Decomposition Mechanism of Hydrotalcites

PubMed Central

Crosby, Sergio; Tran, Doanh; Cocke, David; Duraia, El-Shazly M.; Beall, Gary W.

2014-01-01

Hydrotalcites have many important applications in catalysis, wastewater treatment, gene delivery and polymer stabilization, all depending on preparation history and treatment scenarios. In catalysis and polymer stabilization, thermal decomposition is of great importance. Hydrotalcites form easily with atmospheric carbon dioxide and often interfere with the study of other anion containing systems, particularly if formed at room temperature. The dehydroxylation and decomposition of carbonate occurs simultaneously, making it difficult to distinguish the dehydroxylation mechanisms directly. To date, the majority of work on understanding the decomposition mechanism has utilized hydrotalcite precipitated at room temperature. In this study, evolved gas analysis combined with thermal analysis has been used to show that CO2 contamination is problematic in materials being formed at RT that are poorly crystalline. This has led to some dispute as to the nature of the dehydroxylation mechanism. In this paper, data for the thermal decomposition of the chloride form of hydrotalcite are reported. In addition, carbonate-free hydrotalcites have been synthesized with different charge densities and at different growth temperatures. This combination of parameters has allowed a better understanding of the mechanism of dehydroxylation and the role that isomorphous substitution plays in these mechanisms to be delineated. In addition, the effect of anion type on thermal stability is also reported. A stepwise dehydroxylation model is proposed that is mediated by the level of aluminum substitution. PMID:28788231

Instanton rate constant calculations close to and above the crossover temperature.

PubMed

McConnell, Sean; Kästner, Johannes

2017-11-15

Canonical instanton theory is known to overestimate the rate constant close to a system-dependent crossover temperature and is inapplicable above that temperature. We compare the accuracy of the reaction rate constants calculated using recent semi-classical rate expressions to those from canonical instanton theory. We show that rate constants calculated purely from solving the stability matrix for the action in degrees of freedom orthogonal to the instanton path is not applicable at arbitrarily low temperatures and use two methods to overcome this. Furthermore, as a by-product of the developed methods, we derive a simple correction to canonical instanton theory that can alleviate this known overestimation of rate constants close to the crossover temperature. The combined methods accurately reproduce the rate constants of the canonical theory along the whole temperature range without the spurious overestimation near the crossover temperature. We calculate and compare rate constants on three different reactions: H in the Müller-Brown potential, methylhydroxycarbene → acetaldehyde and H 2  + OH → H + H 2 O. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Calculation of the aerodynamic loading of swept and unswept flexible wings of arbitrary stiffness

NASA Technical Reports Server (NTRS)

Diederich, Franklin W

1950-01-01

A method is presented for calculating the aerodynamic loading, the divergence speed, and certain stability derivatives of swept and unswept wings and tail surfaces of arbitrary stiffness. Provision is made for using either stiffness curves and root rotation constants or structural influence coefficients in the analysis. Computing forms, tables of numerical constants required in the analysis, and an illustrative example are included to facilitate calculations by means of the method.

Ratcheting Behavior of a Titanium-Stabilized Interstitial Free Steel

NASA Astrophysics Data System (ADS)

De, P. S.; Chakraborti, P. C.; Bhattacharya, B.; Shome, M.; Bhattacharjee, D.

2013-05-01

Engineering stress-control ratcheting behavior of a titanium-stabilized interstitial free steel has been studied under different combinations of mean stress and stress amplitude at a stress rate of 250 MPa s-1. Tests have been done up to 29.80 pct true ratcheting strain evolution in the specimens at three maximum stress levels. It is observed that this amount of ratcheting strain is more than the uniform tensile strain at a strain rate of 10-3 s-1 and evolves without showing tensile instability of the specimens. In the process of ratcheting strain evolution at constant maximum stresses, the effect of increasing stress amplitude is found to be more than that of increasing the mean stress component. Further, the constant maximum stress ratcheting test results reveal that the number of cycles ( N) required for 29.80 pct. true ratcheting strain evolution exponentially increases with increase of stress ratio ( R). Post-ratcheting tensile test results showing increase of strength and linear decrease in ductility with increasing R at different constant maximum stresses indicate that stress parameters used during ratcheting tests influence the size of the dislocation cell structure of the steel even with the same amount of ratcheting strain evolution. It is postulated that during ratcheting fatigue, damage becomes greater with the increase of R for any fixed amount of ratcheting strain evolution at constant maximum stress.

Acidity and complex formation studies of 3-(adenine-9-yl)-propionic and 3-(thymine-1-yl)-propionic acids in ethanol-water media

NASA Astrophysics Data System (ADS)

Hammud, Hassan H.; El Shazly, Shawky; Sonji, Ghassan; Sonji, Nada; Bouhadir, Kamal H.

2015-05-01

The ligands 3-(adenine-9-yl)propionic acid (AA) and 3-(thymine-1-yl)propionic acid (TA) were prepared by N9-alkylation of adenine and N1-alkylation of thymine with ethylacrylate in presence of a base catalyst, followed by acid hydrolysis of the formed ethyl esters to give the corresponding propionic acid derivatives. The products were characterized by spectral methods (FTIR, 1H NMR and 13C NMR), which confirm their structures. The dissociation constants of ligands, were potentiometrically determined in 0.3 M KCl at 20-50 °C temperature range. The work was extended to study complexation behavior of AA and TA with various biologically important divalent metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, Mn2+ and Pb2+) in 50% v/v water-ethanol medium at four different temperatures, keeping ionic strength constant (0.3 M KCl). The order of the stability constants of the formed complexes decreases in the sequence Cu2+ > Pb2+ > Zn2+ > Ni2+ > Co2+ > Mn2+ > Cd2+ for both ligands. The effect of temperature was also studied and the corresponding thermodynamic functions (ΔG, ΔH, ΔS) were derived and discussed. The formation of metal complexes has been found to be spontaneous, and the stability constants were dependant markedly on the basicity of the ligands.

Design techniques for a stable operation of cryogenic field-programmable gate arrays.

PubMed

Homulle, Harald; Visser, Stefan; Patra, Bishnu; Charbon, Edoardo

2018-01-01

In this paper, we show how a deep-submicron field-programmable gate array (FPGA) can be operated more stably at extremely low temperatures through special firmware design techniques. Stability at low temperatures is limited through long power supply wires and reduced performance of various printed circuit board components commonly employed at room temperature. Extensive characterization of these components shows that the majority of decoupling capacitor types and voltage regulators are not well behaved at cryogenic temperatures, asking for an ad hoc solution to stabilize the FPGA supply voltage, especially for sensitive applications. Therefore, we have designed a firmware that enforces a constant power consumption, so as to stabilize the supply voltage in the interior of the FPGA. The FPGA is powered with a supply at several meters distance, causing significant resistive voltage drop and thus fluctuations on the local supply voltage. To achieve the stabilization, the variation in digital logic speed, which directly corresponds to changes in supply voltage, is constantly measured and corrected for through a tunable oscillator farm, implemented on the FPGA. The impact of the stabilization technique is demonstrated together with a reconfigurable analog-to-digital converter (ADC), completely implemented in the FPGA fabric and operating at 15 K. The ADC performance can be improved by at most 1.5 bits (effective number of bits) thanks to the more stable supply voltage. The method is versatile and robust, enabling seamless porting to other FPGA families and configurations.

Design techniques for a stable operation of cryogenic field-programmable gate arrays

NASA Astrophysics Data System (ADS)

Homulle, Harald; Visser, Stefan; Patra, Bishnu; Charbon, Edoardo

2018-01-01

In this paper, we show how a deep-submicron field-programmable gate array (FPGA) can be operated more stably at extremely low temperatures through special firmware design techniques. Stability at low temperatures is limited through long power supply wires and reduced performance of various printed circuit board components commonly employed at room temperature. Extensive characterization of these components shows that the majority of decoupling capacitor types and voltage regulators are not well behaved at cryogenic temperatures, asking for an ad hoc solution to stabilize the FPGA supply voltage, especially for sensitive applications. Therefore, we have designed a firmware that enforces a constant power consumption, so as to stabilize the supply voltage in the interior of the FPGA. The FPGA is powered with a supply at several meters distance, causing significant resistive voltage drop and thus fluctuations on the local supply voltage. To achieve the stabilization, the variation in digital logic speed, which directly corresponds to changes in supply voltage, is constantly measured and corrected for through a tunable oscillator farm, implemented on the FPGA. The impact of the stabilization technique is demonstrated together with a reconfigurable analog-to-digital converter (ADC), completely implemented in the FPGA fabric and operating at 15 K. The ADC performance can be improved by at most 1.5 bits (effective number of bits) thanks to the more stable supply voltage. The method is versatile and robust, enabling seamless porting to other FPGA families and configurations.

Some elementary aspects of non-linear airplane speed stability in constrained flight

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Fonseca, A. A.; Azinheira, J. R. C.

We review the longitudinal motion of an airplane, starting a dive at an arbitrary speed, and flown on a constant glide slope; this non-linear longitudinal speed stability problem is solved analytically (Section 2), to provide groundspeed as a function of time. Three restrictions were made: (i) neglect of the short period mode; (ii) low Mach number flight, i.e. omission of drag due to compressibility; (iii) small altitude change, so that the air density could be taken as constant. The predicted stability curves were compared with flight test data (Section 6), obtained using a CASA 212 Aviocar twin-turboprop transport. The flight data records showed that lateral motion was negligible; the effects of wind were compensated for, and the possible errors were estimated. An extension was made of the stability theory from still air (Section 2), to account for the presence of winds (Section 3); the latter were assumed not to exceed 30% of the groundspeed. The comparison of the theoretical stability curves with flight test data can be automated, as can the identification of the relevant data record. The disturbance intensity can be used as a parameter (Section 5) which indicates the start and end of flight manouever. This parameter is defined (Section 4) as the relative lift change, and for longitudinal flight it can be obtained from the wind velocity, vorticity components and changes of airspeed, angle-of-attack and vertical acceleration. It similarly has applications to perturbations of a horizontal turn.

How structurally stable are global socioeconomic systems?

PubMed Central

Saavedra, Serguei; Rohr, Rudolf P.; Gilarranz, Luis J.; Bascompte, Jordi

2014-01-01

The stability analysis of socioeconomic systems has been centred on answering whether small perturbations when a system is in a given quantitative state will push the system permanently to a different quantitative state. However, typically the quantitative state of socioeconomic systems is subject to constant change. Therefore, a key stability question that has been under-investigated is how strongly the conditions of a system itself can change before the system moves to a qualitatively different behaviour, i.e. how structurally stable the systems is. Here, we introduce a framework to investigate the structural stability of socioeconomic systems formed by a network of interactions among agents competing for resources. We measure the structural stability of the system as the range of conditions in the distribution and availability of resources compatible with the qualitative behaviour in which all the constituent agents can be self-sustained across time. To illustrate our framework, we study an empirical representation of the global socioeconomic system formed by countries sharing and competing for multinational companies used as proxy for resources. We demonstrate that the structural stability of the system is inversely associated with the level of competition and the level of heterogeneity in the distribution of resources. Importantly, we show that the qualitative behaviour of the observed global socioeconomic system is highly sensitive to changes in the distribution of resources. We believe that this work provides a methodological basis to develop sustainable strategies for socioeconomic systems subject to constantly changing conditions. PMID:25165600

The impact of environmental inertial stability on the secondary circulation of axisymmetric tropical cyclones

NASA Astrophysics Data System (ADS)

O'Neill, M. E.; Chavas, D. R.

2017-12-01

In f-plane numerical simulations and analytical theory, tropical cyclones completely recycle their exhausted outflow air back into the boundary layer. This low-angular momentum air must experience cyclonic torque at the sea surface for cyclone to reach equilibrium. On Earth, however, it is not clear that tropical cyclones recycle all of the outflow air in a closed secondary circulation, and strong asymmetric outflow-jet interactions suggest that much of the air may be permanently evacuated from the storm over its lifetime. The fraction of outflow air that is returned to the near-storm boundary layer is in part a function of the environmental inertial stability, which controls the size and strength of the upper anticyclone. We run a suite of idealized axisymmetric tropical cyclone simulations at constant latitude while varying the outer domain's inertial stability profile. Fixing the latitude allows the gradient wind balance of the storm core to remain constant except for changes due to the far environment. By varying both the outer inertial stability and its location with respect to the Rossby radius of deformation, we show how the tropical cyclone's area-of-influence is controlled by the nature and strength of the upper anticyclone. Parcel tracking additionally demonstrates the likelihood of outflow air parcels to be quickly re-consumed by the secondary circulation as a function of inertial stability. These experiments demonstrate the sensitivity of the tropical cyclone's secondary circulation, typically assumed to be closed, to the dynamics of the far environment.

Insulin degludec/insulin aspart once daily in Type 2 diabetes: a comparison of simple or stepwise titration algorithms (BOOST® : SIMPLE USE).

PubMed

Park, S W; Bebakar, W M W; Hernandez, P G; Macura, S; Hersløv, M L; de la Rosa, R

2017-02-01

To compare the efficacy and safety of two titration algorithms for insulin degludec/insulin aspart (IDegAsp) administered once daily with metformin in participants with insulin-naïve Type 2 diabetes mellitus. This open-label, parallel-group, 26-week, multicentre, treat-to-target trial, randomly allocated participants (1:1) to two titration arms. The Simple algorithm titrated IDegAsp twice weekly based on a single pre-breakfast self-monitored plasma glucose (SMPG) measurement. The Stepwise algorithm titrated IDegAsp once weekly based on the lowest of three consecutive pre-breakfast SMPG measurements. In both groups, IDegAsp once daily was titrated to pre-breakfast plasma glucose values of 4.0-5.0 mmol/l. Primary endpoint was change from baseline in HbA 1c (%) after 26 weeks. Change in HbA 1c at Week 26 was IDegAsp Simple -14.6 mmol/mol (-1.3%) (to 52.4 mmol/mol; 6.9%) and IDegAsp Stepwise -11.9 mmol/mol (-1.1%) (to 54.7 mmol/mol; 7.2%). The estimated between-group treatment difference was -1.97 mmol/mol [95% confidence interval (CI) -4.1, 0.2] (-0.2%, 95% CI -0.4, 0.02), confirming the non-inferiority of IDegAsp Simple to IDegAsp Stepwise (non-inferiority limit of ≤ 0.4%). Mean reduction in fasting plasma glucose and 8-point SMPG profiles were similar between groups. Rates of confirmed hypoglycaemia were lower for IDegAsp Stepwise [2.1 per patient years of exposure (PYE)] vs. IDegAsp Simple (3.3 PYE) (estimated rate ratio IDegAsp Simple /IDegAsp Stepwise 1.8; 95% CI 1.1, 2.9). Nocturnal hypoglycaemia rates were similar between groups. No severe hypoglycaemic events were reported. In participants with insulin-naïve Type 2 diabetes mellitus, the IDegAsp Simple titration algorithm improved HbA 1c levels as effectively as a Stepwise titration algorithm. Hypoglycaemia rates were lower in the Stepwise arm. © 2016 The Authors. Diabetic Medicine published by John Wiley & Sons Ltd on behalf of Diabetes UK.

Stabilities and partitioning of arenonium ions in aqueous media.

PubMed

Lawlor, D A; More O'Ferrall, R A; Rao, S N

2008-12-31

The phenathrenonium ion is formed as a reactive intermediate in the solvolysis of 9-dichloroacetoxy-9,10-dihydrophenanthrene in aqueous acetonitrile and undergoes competing reactions with water acting as a base and nucleophile. Measurements of product ratios in the presence of azide ion as a trap and 'clock' yield rate constants kp = 3.7 x 10(10) and kH2O = 1.5 x 10(8) s(-1), respectively. Combining these with rate constants for the reverse reactions (protonation of phenanthrene and acid-catalyzed aromatization of its water adduct) gives equilibrium constants pKa = -20.9 and pK(R) = -11.6. For a series of arenonium and benzylic cations, correlation of log kp with pKa, taking account of the limit to kp set by the relaxation of water (10(11) s(-1)), leads to extrapolation of kp = 9.0 x 10(10) s(-1) and pKa = -24.5 for the benzenonium ion and kp = 6.5 x 10(10) s(-1) and pKa = -22.5 for the 1-naphthalenonium ion. Combining these pKa's with estimates of equilibrium constants pKH2O for the hydration of benzene and naphthalene, and the relationship pKR = pKa + pKH2O based on Hess's law, gives pKR = -2.3 and -8.0 respectively, and highlights the inherent stability of the benzenonium ion. A correlation exists between the partitioning ratio, kp/kH2O, for carbocations reacting in water and KH2O the equilibrium constant between the respective reaction products, i.e., log(kp/kH2O) = 0.46pKH2O - 3.7. It implies that kp exceeds kH2O only when KH2O > 10(8). This is consistent with the proton transfer (a) possessing a lower intrinsic reactivity than reaction of the carbocation with water as a nucleophile and (b) being rate-determining in the hydration of alkenes (and dehydration of alcohols) except when the double bond of the alkene is unusually stabilized, as in the case of aromatic molecules.

Stability Results, Almost Global Generalized Beltrami Fields and Applications to Vortex Structures in the Euler Equations

NASA Astrophysics Data System (ADS)

Enciso, Alberto; Poyato, David; Soler, Juan

2018-05-01

Strong Beltrami fields, that is, vector fields in three dimensions whose curl is the product of the field itself by a constant factor, have long played a key role in fluid mechanics and magnetohydrodynamics. In particular, they are the kind of stationary solutions of the Euler equations where one has been able to show the existence of vortex structures (vortex tubes and vortex lines) of arbitrarily complicated topology. On the contrary, there are very few results about the existence of generalized Beltrami fields, that is, divergence-free fields whose curl is the field times a non-constant function. In fact, generalized Beltrami fields (which are also stationary solutions to the Euler equations) have been recently shown to be rare, in the sense that for "most" proportionality factors there are no nontrivial Beltrami fields of high enough regularity (e.g., of class {C^{6,α}}), not even locally. Our objective in this work is to show that, nevertheless, there are "many" Beltrami fields with non-constant factor, even realizing arbitrarily complicated vortex structures. This fact is relevant in the study of turbulent configurations. The core results are an "almost global" stability theorem for strong Beltrami fields, which ensures that a global strong Beltrami field with suitable decay at infinity can be perturbed to get "many" Beltrami fields with non-constant factor of arbitrarily high regularity and defined in the exterior of an arbitrarily small ball, and a "local" stability theorem for generalized Beltrami fields, which is an analogous perturbative result which is valid for any kind of Beltrami field (not just with a constant factor) but only applies to small enough domains. The proof relies on an iterative scheme of Grad-Rubin type. For this purpose, we study the Neumann problem for the inhomogeneous Beltrami equation in exterior domains via a boundary integral equation method and we obtain Hölder estimates, a sharp decay at infinity and some compactness properties for these sequences of approximate solutions. Some of the parts of the proof are of independent interest.

An MHD variational principle that admits reconnection

NASA Technical Reports Server (NTRS)

Rilee, M. L.; Sudan, R. N.; Pfirsch, D.

1997-01-01

The variational approach of Pfirsch and Sudan's averaged magnetohydrodynamics (MHD) to the stability of a line-tied current layer is summarized. The effect of line-tying on current sheets that might arise in line-tied magnetic flux tubes by estimating the growth rates of a resistive instability using a variational method. The results show that this method provides a potentially new technique to gauge the stability of nearly ideal magnetohydrodynamic systems. The primary implication for the stability of solar coronal structures is that tearing modes are probably constant at work removing magnetic shear from the solar corona.

Immunosensor based on electrodeposition of gold-nanoparticles and ionic liquid composite for detection of Salmonella pullorum.

PubMed

Wang, Dan; Dou, Wenchao; Zhao, Guangying; Chen, Yan

2014-11-01

In order to increase the reproducibility and stability of electrochemical immunosensor, which is a key issue for its application and popularization, an accurate and stable immunosensor for rapid detection of Salmonella pullorum (S. pullorum) was proposed in this study. The immunosensor was fabricated by modifying Screen-printed Carbon Electrode (SPCE) with electrodeposited gold nanoparticles (AuNPs), HRP-labeled anti-S. pullorum and ionic liquids (ILs) (AuNP/HRP/IL). AuNPs are electrodeposited on the working electrode surface to increase the amount of antibodies that bind to the electrode and then modified with ILs to protect the antibodies from being inactivated in the test environment and maintain their biological activity and the stability of the detection electrode. The electrochemical characteristics of the stepwise modified electrodes and the detection of S. pullorum were investigated by cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). As shown in the results of the experiments, AuNPs with unique electrochemical properties as well as biocompatibility characteristics have been proven to be able to strengthen the antibody combination effectively and to increase the electrochemical response signal. In addition, a crucial assessment regarding implementation of stability and reproducibility analysis of a range of immunosensors is provided. We found that application of AuNPs/ILs in the immune modified electrodes showed obvious improvement when compared with other groups. Given their high levels of reproducibility, stability, target specificity and sensitivity, AuNPs and ILs were considered to be excellent elements for electrode modification. Copyright © 2014 Elsevier B.V. All rights reserved.

High-brightness 1.3 μm InAs/GaAs quantum dot tapered laser with high temperature stability.

PubMed

Cao, Yulian; Ji, Haiming; Xu, Pengfei; Gu, Yongxian; Ma, Wenquan; Yang, Tao

2012-10-01

We demonstrate high-brightness 1.3 μm tapered lasers with high temperature stability by using p-doped InAs/GaAs quantum dots (QDs) as the active region. It is found that the beam quality factor M(2) for the devices is almost unchanged as the light power and temperature increase. The almost constant M(2) results from the p-doped QD active region.

Dynamic stability of spinning pretwisted beams subjected to axial random forces

NASA Astrophysics Data System (ADS)

Young, T. H.; Gau, C. Y.

2003-11-01

This paper studies the dynamic stability of a pretwisted cantilever beam spinning along its longitudinal axis and subjected to an axial random force at the free end. The axial force is assumed as the sum of a constant force and a random process with a zero mean. Due to this axial force, the beam may experience parametric random instability. In this work, the finite element method is first applied to yield discretized system equations. The stochastic averaging method is then adopted to obtain Ito's equations for the response amplitudes of the system. Finally the mean-square stability criterion is utilized to determine the stability condition of the system. Numerical results show that the stability boundary of the system converges as the first three modes are taken into calculation. Before the convergence is reached, the stability condition predicted is not conservative enough.

Enhancing Activity and Stability of Uricase from Lactobacillus plantarum by Zeolite immobilization

NASA Astrophysics Data System (ADS)

Iswantini, D.; Nurhidayat, N.; Sarah

2017-03-01

Lactobacillus plantarum has been known be able to produce uricase for uric acid biosensor. Durability and stability of L. plantarum in generating uricase enzyme was low. Hence, we tried to enhance its durability and stability by immobilizing it onto activated 250 mg zeolite at room temperature using 100 μL L.plantarum suspension and 2.87 mM uric acid, while Michaelis-Menten constant (KM) and Vmax were obtained at 6.7431 mM and 0.9171 µA consecutively, and the linearity range was 0.1-3.3 mM (R2 = 0.9667). Limit of detection (LOD) and limit of quantification (LOQ) value of the measurement were 0.4827 mM and 1.6092 mM respectively. Biosensor stability treatment was carried out in two different treatments, using the same electrode and using disposable electrode. The disposable electrode stability showed better result based on repeated measurements, but stability was still need improvement.

Periodic waves of the Lugiato-Lefever equation at the onset of Turing instability.

PubMed

Delcey, Lucie; Haraguss, Mariana

2018-04-13

We study the existence and the stability of periodic steady waves for a nonlinear model, the Lugiato-Lefever equation, arising in optics. Starting from a detailed description of the stability properties of constant solutions, we then focus on the periodic steady waves which bifurcate at the onset of Turing instability. Using a centre manifold reduction, we analyse these Turing bifurcations, and prove the existence of periodic steady waves. This approach also allows us to conclude on the nonlinear orbital stability of these waves for co-periodic perturbations, i.e. for periodic perturbations which have the same period as the wave. This stability result is completed by a spectral stability result for general bounded perturbations. In particular, this spectral analysis shows that instabilities are always due to co-periodic perturbations.This article is part of the theme issue 'Stability of nonlinear waves and patterns and related topics'. © 2018 The Author(s).

[Effect of heat transfer in the packages on the stability of thiamine nitrate under uncontrolled temperature conditions].

PubMed

Nakamura, Toru; Yamaji, Takayuki; Takayama, Kozo

2013-01-01

To accurately predict the stability of thiamine nitrate as a model drug in pharmaceutical products under uncontrolled temperature conditions, the average reaction rate constant was determined, taking into account the heat transfer from the atmosphere to the product. The stability tests of thiamine nitrate in the three packages with different heat transfers were performed under non-isothermal conditions. The stability data observed were compared with the predictions based on a newly developed method, showing that the stability was well predicted by the method involving the heat transfer. By contrast, there were some deviations observed from the predicted data, without considering heat transfer in the packages with low heat transfer. The above-mentioned result clearly shows that heat transfer should be considered to ensure accurate prediction of the stability of commercial pharmaceutical products under non-isothermal atmospheres.

Variation of Soil Aggregation along the Weathering Gradient: Comparison of Grain Size Distribution under Different Disruptive Forces.

PubMed

Wei, Yujie; Wu, Xinliang; Xia, Jinwen; Shen, Xue; Cai, Chongfa

2016-01-01

The formation and stabilization of soil aggregates play a key role in soil functions. To date, few studies have been performed on the variation of soil aggregation with increasing soil weathering degree. Here, soil aggregation and its influencing factors along the weathering gradient were investigated. Six typical zonal soils (derived from similar parent materials) were sampled from temperate to tropical regions. Grain size distribution (GSD) in aggregate fragmentation with increasing disruptive forces (air-dried, water dispersion and chemical dispersion) was determined by laser diffraction particle size analyzer. Different forms of sesquioxides were determined by selective chemical extraction and their contributions to soil aggregation were identified by multiple stepwise regression analysis. The high variability of sesquioxides in different forms appeared with increasing free oxide content (Fed and Ald) from the temperate to tropical soils. The transformation of GSD peak to small size varied with increasing disruptive forces (p<0.05). Although in different weathering degrees, zonal soils showed a similar fragmentation process. Aggregate water stability generally increased with increasing soil weathering (p<0.01), with higher stability in eluvium (A) horizon than in illuvium (B) horizon (p<0.01). Crystalline oxides and amorphous iron oxides (Feo), especially (Fed-Feo) contributed to the formation of air-dried macroaggregates and their stability against slaking (R2 = 55%, p<0.01), while fine particles (<50μm) and Feo (excluding the complex form Fep) played a positive role in the formation of water stable aggregates (R2 = 93%, p<0.01). Additionally, water stable aggregates (including stability, size distribution and specific surface area) were closely related with pH, organic matter, cation exchange capacity (CEC), bulk density (BD), and free oxides (including various forms) (p<0.05). The overall results indicate that soil aggregation conforms to aggregate hierarchy theory to some extent along the weathering gradient and different forms of sesquioxides perform their specific roles in the formation and stabilization of different size aggregates.

Variation of Soil Aggregation along the Weathering Gradient: Comparison of Grain Size Distribution under Different Disruptive Forces

PubMed Central

Wu, Xinliang; Xia, Jinwen; Shen, Xue; Cai, Chongfa

2016-01-01

The formation and stabilization of soil aggregates play a key role in soil functions. To date, few studies have been performed on the variation of soil aggregation with increasing soil weathering degree. Here, soil aggregation and its influencing factors along the weathering gradient were investigated. Six typical zonal soils (derived from similar parent materials) were sampled from temperate to tropical regions. Grain size distribution (GSD) in aggregate fragmentation with increasing disruptive forces (air-dried, water dispersion and chemical dispersion) was determined by laser diffraction particle size analyzer. Different forms of sesquioxides were determined by selective chemical extraction and their contributions to soil aggregation were identified by multiple stepwise regression analysis. The high variability of sesquioxides in different forms appeared with increasing free oxide content (Fed and Ald) from the temperate to tropical soils. The transformation of GSD peak to small size varied with increasing disruptive forces (p<0.05). Although in different weathering degrees, zonal soils showed a similar fragmentation process. Aggregate water stability generally increased with increasing soil weathering (p<0.01), with higher stability in eluvium (A) horizon than in illuvium (B) horizon (p<0.01). Crystalline oxides and amorphous iron oxides (Feo), especially (Fed-Feo) contributed to the formation of air-dried macroaggregates and their stability against slaking (R2 = 55%, p<0.01), while fine particles (<50μm) and Feo (excluding the complex form Fep) played a positive role in the formation of water stable aggregates (R2 = 93%, p<0.01). Additionally, water stable aggregates (including stability, size distribution and specific surface area) were closely related with pH, organic matter, cation exchange capacity (CEC), bulk density (BD), and free oxides (including various forms) (p<0.05). The overall results indicate that soil aggregation conforms to aggregate hierarchy theory to some extent along the weathering gradient and different forms of sesquioxides perform their specific roles in the formation and stabilization of different size aggregates. PMID:27529618

Effects of stepwise dry/wet-aging and freezing on meat quality of beef loins.

PubMed

Kim, Yuan H Brad; Meyers, Brandon; Kim, Hyun-Wook; Liceaga, Andrea M; Lemenager, Ronald P

2017-01-01

The objective of this study was to evaluate the effects of stepwise dry/wet-aging and freezing method on quality attributes of beef loins. Paired loins (M. Longissimus lumborum) from eight carcasses were assigned to either stepwise dry/wet-aging (carcass dry-aging for 10days then further wet-aging for 7days in vacuum bags) or carcass dry-aging only for 17days. Then, each loin was divided into three sections for freezing (never-frozen, blast or cryogenic freezing). Stepwise dry/wet-aged loin had lower purge/drip loss and shear force than conventionally dry-aged loin (P<0.05), but similar color and sensory characteristics (P>0.05). The cryogenic freezing resulted in a significant decrease in shear force values and a significant improvement in water-holding capacity (WHC). These findings indicate that the stepwise dry/wet-aging coupled with cryogenic freezing could provide beneficial impacts to the local meat industry by providing equivalent quality attributes as conventional dry-aging and improving WHC of frozen/thawed meat, while reducing the time needed for dry-aging. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modulational instability in a PT-symmetric vector nonlinear Schrödinger system

NASA Astrophysics Data System (ADS)

Cole, J. T.; Makris, K. G.; Musslimani, Z. H.; Christodoulides, D. N.; Rotter, S.

2016-12-01

A class of exact multi-component constant intensity solutions to a vector nonlinear Schrödinger (NLS) system in the presence of an external PT-symmetric complex potential is constructed. This type of uniform wave pattern displays a non-trivial phase whose spatial dependence is induced by the lattice structure. In this regard, light can propagate without scattering while retaining its original form despite the presence of inhomogeneous gain and loss. These constant-intensity continuous waves are then used to perform a modulational instability analysis in the presence of both non-hermitian media and cubic nonlinearity. A linear stability eigenvalue problem is formulated that governs the dynamical evolution of the periodic perturbation and its spectrum is numerically determined using Fourier-Floquet-Bloch theory. In the self-focusing case, we identify an intensity threshold above which the constant-intensity modes are modulationally unstable for any Floquet-Bloch momentum belonging to the first Brillouin zone. The picture in the self-defocusing case is different. Contrary to the bulk vector case, where instability develops only when the waves are strongly coupled, here an instability occurs in the strong and weak coupling regimes. The linear stability results are supplemented with direct (nonlinear) numerical simulations.

NVU dynamics. I. Geodesic motion on the constant-potential-energy hypersurface.

PubMed

Ingebrigtsen, Trond S; Toxvaerd, Søren; Heilmann, Ole J; Schrøder, Thomas B; Dyre, Jeppe C

2011-09-14

An algorithm is derived for computer simulation of geodesics on the constant-potential-energy hypersurface of a system of N classical particles. First, a basic time-reversible geodesic algorithm is derived by discretizing the geodesic stationarity condition and implementing the constant-potential-energy constraint via standard Lagrangian multipliers. The basic NVU algorithm is tested by single-precision computer simulations of the Lennard-Jones liquid. Excellent numerical stability is obtained if the force cutoff is smoothed and the two initial configurations have identical potential energy within machine precision. Nevertheless, just as for NVE algorithms, stabilizers are needed for very long runs in order to compensate for the accumulation of numerical errors that eventually lead to "entropic drift" of the potential energy towards higher values. A modification of the basic NVU algorithm is introduced that ensures potential-energy and step-length conservation; center-of-mass drift is also eliminated. Analytical arguments confirmed by simulations demonstrate that the modified NVU algorithm is absolutely stable. Finally, we present simulations showing that the NVU algorithm and the standard leap-frog NVE algorithm have identical radial distribution functions for the Lennard-Jones liquid. © 2011 American Institute of Physics

Design verification of large time constant thermal shields for optical reference cavities.

PubMed

Zhang, J; Wu, W; Shi, X H; Zeng, X Y; Deng, K; Lu, Z H

2016-02-01

In order to achieve high frequency stability in ultra-stable lasers, the Fabry-Pérot reference cavities shall be put inside vacuum chambers with large thermal time constants to reduce the sensitivity to external temperature fluctuations. Currently, the determination of thermal time constants of vacuum chambers is based either on theoretical calculation or time-consuming experiments. The first method can only apply to simple system, while the second method will take a lot of time to try out different designs. To overcome these limitations, we present thermal time constant simulation using finite element analysis (FEA) based on complete vacuum chamber models and verify the results with measured time constants. We measure the thermal time constants using ultrastable laser systems and a frequency comb. The thermal expansion coefficients of optical reference cavities are precisely measured to reduce the measurement error of time constants. The simulation results and the experimental results agree very well. With this knowledge, we simulate several simplified design models using FEA to obtain larger vacuum thermal time constants at room temperature, taking into account vacuum pressure, shielding layers, and support structure. We adopt the Taguchi method for shielding layer optimization and demonstrate that layer material and layer number dominate the contributions to the thermal time constant, compared with layer thickness and layer spacing.

The horizontal transport of pollutants from a slope wind layer into the valley core as a function of atmospheric stability

NASA Astrophysics Data System (ADS)

Leukauf, Daniel; Gohm, Alexander; Rotach, Mathias W.; Posch, Christian

2016-04-01

Slope winds provide a mechanism for the vertical exchange of air between the valley and the free atmosphere aloft. By this means, heat, moisture and pollutants are exported or imported. However, it the static stability of the valley atmosphere is strong, one part of the up-slope flow is redirected towards the valley center and pollutants are recirculated within the valley. This may limit the venting potential of slope winds severely. The main objective of this study is to quantify the horizontal transport of pollutants from the slope wind layer into the stable valley core and to determine the dependency of this flux as a function of the initial stability of the atmosphere. For this purpose, we conducted large eddy simulations with the Weather Research and Forecasting (WRF) model for a quasi-two-dimensional valley. The valley geometry consists of two slopes with constant slope angle rising to a crest height of 1500 m and a 4 km wide flat valley floor in between. The valley is 20 km long and homogeneous in along-valley direction. Hence, only slope winds but no valley winds can evolve. The surface sensible heat flux is prescribed by a sine function with an amplitude of 125 W m-2. The initial sounding characterized by an atmosphere at rest and by a constant Brunt-Väisälä frequency which is varied between 0.006 s-1 and 0.02 s-1. A passive tracer is released with an arbitrary but constant rate at the valley floor. As expected, the atmospheric stability has a strong impact on the vertical and horizontal transport of tracer mass. A horizontal intrusion forms at the top of the mixed layer due to outflow from the slope wind layer. Tracer mass is transported from the slope towards the center of the valley. The efficiency of this mechanism increases with increasing stability N. For the lowest value of N, about 70% of the tracer mass released at the valley bottom is exported out of the valley. This value drops to about 12% in the case of the strongest stability. Hence, most of the tracer mass, which enters the slope wind layer at the valley bottom, is leaving it again through horizontal fluxes at the height of the intrusion and therefore remains inside the valley.

New broadband square-law detector

NASA Technical Reports Server (NTRS)

Reid, M. S.; Gardner, R. A.; Stelzried, C. T.

1975-01-01

Compact device has wide dynamic range, accurate square-law response, good thermal stability, high-level dc output with immunity to ground-loop problems, ability to insert known time constants for radiometric applications, and fast response times compatible with computer systems.

Thermodynamic studies of iron chelation with doxycycline in acidic medium

NASA Astrophysics Data System (ADS)

Javed, Javeria; Zahir, Erum

2017-06-01

Doxycycline (DOX) is a broad-spectrum tetracycline antibiotic synthetically derived from oxytetracycline. The complex formation of this drug with iron(III) was studied using spectrophotometry. The thermodynamic parameters of the systems were calculated using the changes in the absorption spectra which occur due to hydrogen bond or complex formation. Thermodynamic parameters of the formation of iron(III) complex with doxycycline (Δ H, Δ G, Δ S, and stability constants) were determined spectrophotometrically at a wavelength corresponding to absorption maximum (374.5 nm) at three different temperatures (22, 35, and 45°C). The obtained data show that the complex has metal to ligand molar ratio of 1: 2 at pH 2-3. The stability constants were calculated to be 13.99 × 106, 7.06 × 105, and 1.29 × 106 by mole ratio method at 22, 35, and 45°C, respectively.

Ab initio study of phase stability of NaZr{sub 2}(PO{sub 4}){sub 3} under pressure

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

Chinnappan, Ravi; Kaur, Gurpreet; Panigrahi, B. K.

2016-05-23

The elastic constants of NaZr{sub 2}(PO{sub 4}){sub 3} were computed as a function of pressure through Density Functional Theory calculations. The behavior of elastic constants show that the rhombohedral (R-3c) NaZr{sub 2}(PO{sub 4}){sub 3} becomes unstable above 8 GPa and is driven by softening of C{sub 44} through one of the Born stability criteria. High pressure equation of state and enthalpy show further that the ambient rhombohedral (R-3c)) NaZr{sub 2}(PO{sub 4}){sub 3} transforms first to another rhombohedral (R3) phase and subsequently to LiZr{sub 2}(PO{sub 4}){sub 3}-type orthorhombic phase at pressures above 6 and 8 GPa respectively which are in agreement with recentmore » X-ray diffraction study.« less

Ultrasonic and spectral studies on charge transfer complexes of anisole and certain aromatic amines

NASA Astrophysics Data System (ADS)

Rajesh, R.; Raj Muhamed, R.; Justin Adaikala Baskar, A.; Kannappan, V.

2016-10-01

Stability constants of two complexes of anisole with aniline and N-methylaniline (NMA) are determined from the measured ultrasonic velocity in n-hexane medium at four different temperatures. Acoustic and excess thermo acoustic parameters [excess ultrasonic velocity (uE), excess molar volume (VE), excess internal pressure (πiE)] are reported for these systems at four different temperatures. The trend in acoustic and excess parameters with concentration in the two systems establishes the formation of hydrogen bonded complexes between anisole and the two amines. Thermodynamic properties are computed for the two complexes from the variation in K with temperature. The formation of these complexes is also established by UV spectral method and their spectral characteristics and stability constants are determined. K values of these complexes obtained by ultrasonic and UV spectroscopic techniques agree well. Aniline forms more stable complex than N-methylaniline with anisole in n-hexane medium.

Fixed precision sampling plans for white apple leafhopper (Homoptera: Cicadellidae) on apple.

PubMed

Beers, Elizabeth H; Jones, Vincent P

2004-10-01

Constant precision sampling plans for the white apple leafhopper, Typhlocyba pomaria McAtee, were developed so that it could be used as an indicator species for system stability as new integrated pest management programs without broad-spectrum pesticides are developed. Taylor's power law was used to model the relationship between the mean and the variance, and Green's constant precision sequential sample equation was used to develop sampling plans. Bootstrap simulations of the sampling plans showed greater precision (D = 0.25) than the desired precision (Do = 0.3), particularly at low mean population densities. We found that by adjusting the Do value in Green's equation to 0.4, we were able to reduce the average sample number by 25% and provided an average D = 0.31. The sampling plan described allows T. pomaria to be used as reasonable indicator species of agroecosystem stability in Washington apple orchards.

Engineered promoters enable constant gene expression at any copy number in bacteria.

PubMed

Segall-Shapiro, Thomas H; Sontag, Eduardo D; Voigt, Christopher A

2018-04-01

The internal environment of growing cells is variable and dynamic, making it difficult to introduce reliable parts, such as promoters, for genetic engineering. Here, we applied control-theoretic ideas to design promoters that maintained constant levels of expression at any copy number. Theory predicts that independence to copy number can be achieved by using an incoherent feedforward loop (iFFL) if the negative regulation is perfectly non-cooperative. We engineered iFFLs into Escherichia coli promoters using transcription-activator-like effectors (TALEs). These promoters had near-identical expression in different genome locations and plasmids, even when their copy number was perturbed by genomic mutations or changes in growth medium composition. We applied the stabilized promoters to show that a three-gene metabolic pathway to produce deoxychromoviridans could retain function without re-tuning when the stabilized-promoter-driven genes were moved from a plasmid into the genome.

Thermally stable, low dielectric polyquinolines for aerospace and electronics applications

NASA Technical Reports Server (NTRS)

Hendricks, Neil H.; Marrocco, Matthew L.; Stoakley, Diane M.; St. Clair, Anne K.

1990-01-01

Four new high molecular weight, linear chain polyquinolines have been synthesized and fabricated into high quality free standing films. These polymers are characterized by moderate to high glass transition temperatures, excellent thermal and thermooxidative stability, extremely low dielectric constants and good planarizing characteristics. The polymers absorb very low quantities of moisture. As a consequence, the dielectric constant of one new polyquinoline has been shown to be quite insensitive to exposure to warm/wet conditions. Isothermal aging of one new derivative in air has been carried out at elevated temperatures (250 C to 345 C). The results demonstrate truly outstanding thermooxidative stability. Additional characterizations include molecular weight determinations, solubilities and film-forming characteristics, density measurements, and UV-Vis spectroscopy. The data acquired to date suggest that the polymers may find use as refractive films and coatings and as interlevel planarizers in microelectronics applications.

Micromolecular modeling

NASA Technical Reports Server (NTRS)

Guillet, J. E.

1984-01-01

A reaction kinetics based model of the photodegradation process, which measures all important rate constants, and a computerized model capable of predicting the photodegradation rate and failure modes of a 30 year period, were developed. It is shown that the computerized photodegradation model for polyethylene correctly predicts failure of ELVAX 15 and cross linked ELVAX 150 on outdoor exposure. It is indicated that cross linking ethylene vinyl acetate (EVA) does not significantly change its degradation rate. It is shown that the effect of the stabilizer package is approximately equivalent on both polymers. The computerized model indicates that peroxide decomposers and UV absorbers are the most effective stabilizers. It is found that a combination of UV absorbers and a hindered amine light stabilizer (HALS) is the most effective stabilizer system.

An input-to-state stability approach to verify almost global stability of a synchronous-machine-infinite-bus system.

PubMed

Schiffer, Johannes; Efimov, Denis; Ortega, Romeo; Barabanov, Nikita

2017-08-13

Conditions for almost global stability of an operating point of a realistic model of a synchronous generator with constant field current connected to an infinite bus are derived. The analysis is conducted by employing the recently proposed concept of input-to-state stability (ISS)-Leonov functions, which is an extension of the powerful cell structure principle developed by Leonov and Noldus to the ISS framework. Compared with the original ideas of Leonov and Noldus, the ISS-Leonov approach has the advantage of providing additional robustness guarantees. The efficiency of the derived sufficient conditions is illustrated via numerical experiments.This article is part of the themed issue 'Energy management: flexibility, risk and optimization'. © 2017 The Author(s).

Computer-aided molecular modeling techniques for predicting the stability of drug cyclodextrin inclusion complexes in aqueous solutions

NASA Astrophysics Data System (ADS)

Faucci, Maria Teresa; Melani, Fabrizio; Mura, Paola

2002-06-01

Molecular modeling was used to investigate factors influencing complex formation between cyclodextrins and guest molecules and predict their stability through a theoretical model based on the search for a correlation between experimental stability constants ( Ks) and some theoretical parameters describing complexation (docking energy, host-guest contact surfaces, intermolecular interaction fields) calculated from complex structures at a minimum conformational energy, obtained through stochastic methods based on molecular dynamic simulations. Naproxen, ibuprofen, ketoprofen and ibuproxam were used as model drug molecules. Multiple Regression Analysis allowed identification of the significant factors for the complex stability. A mathematical model ( r=0.897) related log Ks with complex docking energy and lipophilic molecular fields of cyclodextrin and drug.

Constraints on the {omega}- and {sigma}-meson coupling constants with dibaryons

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

Faessler, A.; Buchmann, A.J.; Krivoruchenko, M.I.

The effect of narrow dibaryon resonances on basic nuclear matter properties and on the structure of neutron stars is investigated in mean-field theory and in relativistic Hartree approximation. The existence of massive neutron stars imposes constraints on the coupling constants of the {omega} and {sigma} mesons with dibaryons. In the allowed region of the parameter space of the coupling constants, a Bose condensate of the light dibaryon candidates d{sub 1}(1920) and d{sup {prime}}(2060) is stable against compression. This proves the stability of the ground state of heterophase nuclear matter with a Bose condensate of light dibaryons. {copyright} {ital 1997} {italmore » The American Physical Society}« less

Biomimetic assembly of polypeptide-stabilized CaCO(3) nanoparticles.

PubMed

Zhang, Zhongping; Gao, Daming; Zhao, Hui; Xie, Chenggen; Guan, Guijian; Wang, Dapeng; Yu, Shu-Hong

2006-05-04

In this paper, we report a simple polypeptide-directed strategy for fabricating large spherical assembly of CaCO(3) nanoparticles. Stepwise growth and assembly of a large number of nanoparticles have been observed, from the formation of an amorphous liquidlike CaCO(3)-polypeptide precursor, to the crystallization and stabilization of polypeptide-capped nanoparticles, and eventually, the spherical assembly of nanoparticles. The "soft" poly(aspartate)-capping layer binding on a nanoparticle surface resulted in the unusual soft nature of nanoparticle assembly, providing a reservoir of primary nanoparticles with a moderate mobility, which is the basis of a new strategy for reconstructing nanoparticle assembly into complex nanoparticle architectures. Moreover, the findings of the secondary assembly of nanoparticle microspheres and the morphology transformation of nanoparticle assembly demonstrate a flexible and controllable pathway for manipulating the shapes and structures of nanoparticle assembly. In addition, the combination of the polypeptide with a double hydrophilic block copolymer (DHBC) allows it to possibly further control the shape and complexity of the nanoparticle assembly. A clear perspective is shown here that more complex nanoparticle materials could be created by using "soft" biological proteins or peptides as a mediating template at the organic-inorganic interface.

Self-assembled organic-inorganic hybrid glucoamylase nanoflowers with enhanced activity and stability.

PubMed

Nadar, Shamraja S; Gawas, Sarita D; Rathod, Virendra K

2016-11-01

An organic-inorganic hybrid glucoamylase nanoflower was prepared in single pot by simple, facile and highly efficient method. The stepwise formation of enzyme-embedded hybrid nanoflowers and influence of experimental parameters viz. pH of solution mixture, enzyme and copper ion concentration on the activity of prepared hybrid nanoflowers were systematically investigated. The self-assembled hybrid glucoamylase nanoflowers were synthesized by mixing aqueous solution of copper sulphate (200mM) with PBS (pH 7.5, 5mM) containing glucoamylase (1mg/mL) in 24h at room temperature. These prepared nanoflowers were further characterized by FT-IR, SEM and XRD. The hybrid nanoflowers exhibited 204% enhanced activity recovery and two folds improvement in thermal stability in terms of half-life (in the range of 50-70°C) with respect to the free form. The hybrid glucoamylase nanoflowers retained 70% residual activity after eight successive cycles indicating their excellent durability. Additionally, the nanoflowers retained up to 91% residual activity upto 25 days of storage. Moreover, the conformational changes occurred in glucoamylase structure after preparing hybrid nanoflowers were evaluated by FT-IR spectroscopy data tools. Copyright © 2016 Elsevier B.V. All rights reserved.

A study on amphiphilic fluorinated block copolymer in graphite exfoliation using supercritical CO2 for stable graphene dispersion.

PubMed

Kim, Young Hyun; Lee, Hyang Moo; Choi, Sung Wook; Cheong, In Woo

2018-01-15

In this study, poly(2,2,2-trifluoroethyl methacrylate)-block-poly(4-vinylpyridine) (PTFEMA-b-PVP) was synthesized by stepwise reversible addition-fragmentation chain transfer (RAFT) polymerization for the preparation of graphene by the exfoliation of graphite nanoplatelets (GPs) in supercritical CO 2 (SCCO 2 ). Two different block copolymers (low and high molecular weights) were prepared with the same block ratio and used at different concentrations in the SCCO 2 process. The amount of PTFEMA-b-PVP adsorbed on the GPs and the electrical conductivity of the SCCO 2 -treated GP samples were evaluated using thermogravimetric analysis (TGA) and four-point probe method, respectively. All GP samples treated with SCCO 2 were then dispersed in methanol and the dispersion stability was investigated using online turbidity measurements. The concentration and morphology of few-layer graphene stabilized with PTFEMA-b-PVP in the supernatant solution were investigated by gravimetry, scanning electron microscopy, and Raman spectroscopy. Destabilization study of the graphene dispersions revealed that the longer block copolymer exhibited better affinity for graphene, resulting in a higher yield of stable graphene with minimal defects. Copyright © 2017 Elsevier Inc. All rights reserved.

Multiobjective Model of Time-of-Use and Stepwise Power Tariff for Residential Consumers in Regulated Power Markets

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

Zhou, Bin; Yang, Rui; Li, Canbing

Here, time-of-use (TOU) rates and stepwise power tariff (SPT) are important economic levers to motivate residents to shift their electricity usage in response to electricity price. In this paper, a new multiobjective optimal tariff-making model of time-of-use and stepwise power tariff (TOUSPT) is proposed, which combines the complementary characteristics of two power tariffs, for residential energy conservation and peak load shaving. In the proposed approach, the residential demand response with price elasticity in regulated power market is considered to determine the optimum peak-valley TOU tariffs for each stepwise electricity partition. Furthermore, a practical case study is implemented to test themore » effectiveness of the proposed TOUSPT, and the results demonstrate that TOUSPT can achieve efficient end-use energy saving and also shift load from peak to off-peak periods.« less

Multiobjective Model of Time-of-Use and Stepwise Power Tariff for Residential Consumers in Regulated Power Markets

DOE PAGES

Zhou, Bin; Yang, Rui; Li, Canbing; ...

2017-07-04

Here, time-of-use (TOU) rates and stepwise power tariff (SPT) are important economic levers to motivate residents to shift their electricity usage in response to electricity price. In this paper, a new multiobjective optimal tariff-making model of time-of-use and stepwise power tariff (TOUSPT) is proposed, which combines the complementary characteristics of two power tariffs, for residential energy conservation and peak load shaving. In the proposed approach, the residential demand response with price elasticity in regulated power market is considered to determine the optimum peak-valley TOU tariffs for each stepwise electricity partition. Furthermore, a practical case study is implemented to test themore » effectiveness of the proposed TOUSPT, and the results demonstrate that TOUSPT can achieve efficient end-use energy saving and also shift load from peak to off-peak periods.« less

Foam capacity and stability of Sodium Dodecyl Sulfate (SDS) on the presence of contaminant coffee and Cd ions in solution

NASA Astrophysics Data System (ADS)

Haryanto, B.; Chang, C. H.; Kuo, A. T.; Siswarni, M. Z.; Sinaga, T. M. A.

2018-02-01

In this study, the effect of the coffee colloidal particle and Cd ion contaminant on the foam capacity and stability of sodium dodecyl sulfate (SDS) solution was investigated. The foam was generated by using a foam generator. The foam capacity of SDS was first evaluated at different concentrations. After the foam capacity reaching a constant value, the foam stability was then measured by flowing to a column. The results showed that the presence the coffee colloidal particles or Cd ions in the solution would decrease the foam capacity and stability of SDS. In addition, the decreased foam capacity and stability was more pronounced in the presence of coffee colloidal particles than Cd ions. The colloidal particles may have stronger interaction with SDS and thus reduce the formation of the foam.

Performances of OsO(4) stabilized CO(2) lasers as optical frequency standards near 29 THz.

PubMed

Daussy, C; Ducos, F; Rovera, G D; Acef, O

2000-01-01

In this paper, we report on the metrological capabilities of CO (2)/OsO(4) optical frequency standards operating around 29 THz. Those frequency standards are currently involved in various fields, such as frequency metrology, high resolution spectroscopy, and Rydberg constant measurements. The most impressive features of the standards lies in the 10(-15) level frequency stability allied to a long-term reproducibility (1 yr) of 1.3x10 (-13).

Stability of the Stevia-Derived Sweetener Rebaudioside A in Solution as Affected by Ultraviolet Light Exposure.

PubMed

Zhang, Jiewen; Bell, Leonard N

2017-04-01

Rebaudioside A is a natural noncaloric high-potency sweetener extracted from the leaves of Stevia rebaudiana. With rebaudioside A use increasing in foods, understanding the factors affecting its stability is necessary. This project evaluated the degradation rate constants of rebaudioside A in water, 0.1 M phosphate buffer, and 0.1 M citrate buffer at pH 3 and 7 as a function of ultraviolet (UV) light intensity (365 nm, 0 μW/cm 2 for dark conditions, 27 μW/cm 2 for low intensity, and 190 μW/cm 2 for high intensity) at 32.5 °C. Rebaudioside A stability was adversely affected by light exposure. The pseudo-1st-order degradation rate constants increased significantly (P < 0.05) with increasing light intensity in all solutions. Under dark conditions, rebaudioside A in phosphate buffers was more susceptible to breakdown than in water and citrate buffers at both pH levels. However, exposure to UV light resulted in rebaudioside A degradation occurring approximately 10 times faster in citrate than in phosphate buffers at both pH levels. The sensitivity of rebaudioside A to UV light was greater in citrate buffers than in water or phosphate buffers. The use of light-protective packaging for beverages containing rebaudioside A will improve its stability. © 2017 Institute of Food Technologists®.

Stability of barotropic vortex strip on a rotating sphere

PubMed Central

Sohn, Sung-Ik; Kim, Sun-Chul

2018-01-01

We study the stability of a barotropic vortex strip on a rotating sphere, as a simple model of jet streams. The flow is approximated by a piecewise-continuous vorticity distribution by zonal bands of uniform vorticity. The linear stability analysis shows that the vortex strip becomes stable as the strip widens or the rotation speed increases. When the vorticity constants in the upper and the lower regions of the vortex strip have the same positive value, the inner flow region of the vortex strip becomes the most unstable. However, when the upper and the lower vorticity constants in the polar regions have different signs, a complex pattern of instability is found, depending on the wavenumber of perturbations, and interestingly, a boundary far away from the vortex strip can be unstable. We also compute the nonlinear evolution of the vortex strip on the rotating sphere and compare with the linear stability analysis. When the width of the vortex strip is small, we observe a good agreement in the growth rate of perturbation at an early time, and the eigenvector corresponding to the unstable eigenvalue coincides with the most unstable part of the flow. We demonstrate that a large structure of rolling-up vortex cores appears in the vortex strip after a long-time evolution. Furthermore, the geophysical relevance of the model to jet streams of Jupiter, Saturn and Earth is examined. PMID:29507524

Stability of barotropic vortex strip on a rotating sphere.

PubMed

Sohn, Sung-Ik; Sakajo, Takashi; Kim, Sun-Chul

2018-02-01

We study the stability of a barotropic vortex strip on a rotating sphere, as a simple model of jet streams. The flow is approximated by a piecewise-continuous vorticity distribution by zonal bands of uniform vorticity. The linear stability analysis shows that the vortex strip becomes stable as the strip widens or the rotation speed increases. When the vorticity constants in the upper and the lower regions of the vortex strip have the same positive value, the inner flow region of the vortex strip becomes the most unstable. However, when the upper and the lower vorticity constants in the polar regions have different signs, a complex pattern of instability is found, depending on the wavenumber of perturbations, and interestingly, a boundary far away from the vortex strip can be unstable. We also compute the nonlinear evolution of the vortex strip on the rotating sphere and compare with the linear stability analysis. When the width of the vortex strip is small, we observe a good agreement in the growth rate of perturbation at an early time, and the eigenvector corresponding to the unstable eigenvalue coincides with the most unstable part of the flow. We demonstrate that a large structure of rolling-up vortex cores appears in the vortex strip after a long-time evolution. Furthermore, the geophysical relevance of the model to jet streams of Jupiter, Saturn and Earth is examined.

Nozzle Aerodynamic Stability During a Throat Shift

NASA Technical Reports Server (NTRS)

Kawecki, Edwin J.; Ribeiro, Gregg L.

2005-01-01

An experimental investigation was conducted on the internal aerodynamic stability of a family of two-dimensional (2-D) High Speed Civil Transport (HSCT) nozzle concepts. These nozzles function during takeoff as mixer-ejectors to meet acoustic requirements, and then convert to conventional high-performance convergent-divergent (CD) nozzles at cruise. The transition between takeoff mode and cruise mode results in the aerodynamic throat and the minimum cross-sectional area that controls the engine backpressure shifting location within the nozzle. The stability and steadiness of the nozzle aerodynamics during this so called throat shift process can directly affect the engine aerodynamic stability, and the mechanical design of the nozzle. The objective of the study was to determine if pressure spikes or other perturbations occurred during the throat shift process and, if so, identify the caused mechanisms for the perturbations. The two nozzle concepts modeled in the test program were the fixed chute (FC) and downstream mixer (DSM). These 2-D nozzles differ principally in that the FC has a large over-area between the forward throat and aft throat locations, while the DSM has an over-area of only about 10 percent. The conclusions were that engine mass flow and backpressure can be held constant simultaneously during nozzle throat shifts on this class of nozzles, and mode shifts can be accomplished at a constant mass flow and engine backpressure without upstream pressure perturbations.

The impact of thermal treatment on the stability of freeze-dried amorphous pharmaceuticals: II. Aggregation in an IgG1 fusion protein.

PubMed

Wang, Bingquan; Cicerone, Marcus T; Aso, Yukio; Pikal, Michael J

2010-02-01

The objective of this research was to investigate the impact of thermal treatment on storage stability of an IgG1 fusion protein. IgG1 protein formulations were prepared by freeze-drying the protein with sucrose. Some samples were used as controls, and others were subjected to a further heat treatment (annealing). The protein structure was investigated with Fourier transform infrared spectroscopy (FTIR), and protein aggregation was monitored with size exclusion HPLC. Enthalpy recovery was studied using DSC, and global mobility represented by the structural relaxation time constant (tau(beta)) was characterized by a thermal activity monitor (TAM). The local mobility of the protein system was monitored by both (13)C solid-state NMR and neutron backscattering. Annealing increased the storage stability of the protein, as shown by the smaller aggregation rate and less total aggregation at the end of a storage period. The structural relaxation time constant of an annealed sample was significantly higher than the unannealed control sample, suggesting a decrease in global mobility of the protein system upon annealing. However, annealing does not significantly impact the protein secondary structure or the local mobility. Given the similar protein native structure and specific surface area, the improved stability upon annealing is mainly a result of reduced global molecular mobility. (c) 2009 Wiley-Liss, Inc. and the American Pharmacists Association.

Study of complex formation of 5,5'-(2 E, 2' E)-2,2'-(ethane-1,2-diylidene)bis(hydrazine-1-yl-2-ylidene)bis(4-amino-4H-1,2,4-triazole-3-thiol) (HYT) macrocyclic ligand with Cd2+ cation in non-aqueous solution by spectroscopic and conductometric methods

NASA Astrophysics Data System (ADS)

Mallaekeh, Hassan; Shams, Alireza; Shaker, Mohammad; Bahramzadeh, Ehsan; Arefi, Donya

2014-12-01

In this paper the complexation reaction of the 5,5'-(2 E,2' E)-2,2'-(ethane-1,2-diylidene)bis(hydrazine-1-yl-2-ylidene)bis(4-amino-4H-1,2,4-triazole-3-thiol) ligand (HYT) with Cd2+ education was studied in some binary mixtures of methanol (MeOH), n-propanol (PrOH) and dimethyl-formamide (DMF) at different temperatures using the conductometry and spectrophotometry. The stability constants of the complex was determined using a GENPLOT computer program. The conductance data and absorbance-mole ratio plots show that in all solvent systems, the stoichiometry of the complex formed between (HYT) and Cd2+ cation is 1: 1. The obtained results show that the stability of (HYT)-Cd complex is sensitive to the mixed solvents composition. The values of thermodynamic parameters (Δ G ∘, Δ H ∘, and Δ S ∘) for formation of (HYT)-Cd complex were obtained from temperature dependence of the stability constant using the van't Hoff plots. The results show that in most cases, the complex are enthalpy destabilized but entropy stabilized and the complex formation is affected by pH, time, temperature and the nature of the solvent.

Limit Cycle Analysis Applied to the Oscillations of Decelerating Blunt-Body Entry Vehicles

NASA Technical Reports Server (NTRS)

Schoenenberger, Mark; Queen, Eric M.

2008-01-01

Many blunt-body entry vehicles have nonlinear dynamic stability characteristics that produce self-limiting oscillations in flight. Several different test techniques can be used to extract dynamic aerodynamic coefficients to predict this oscillatory behavior for planetary entry mission design and analysis. Most of these test techniques impose boundary conditions that alter the oscillatory behavior from that seen in flight. Three sets of test conditions, representing three commonly used test techniques, are presented to highlight these effects. Analytical solutions to the constant-coefficient planar equations-of-motion for each case are developed to show how the same blunt body behaves differently depending on the imposed test conditions. The energy equation is applied to further illustrate the governing dynamics. Then, the mean value theorem is applied to the energy rate equation to find the effective damping for an example blunt body with nonlinear, self-limiting dynamic characteristics. This approach is used to predict constant-energy oscillatory behavior and the equilibrium oscillation amplitudes for the various test conditions. These predictions are verified with planar simulations. The analysis presented provides an overview of dynamic stability test techniques and illustrates the effects of dynamic stability, static aerodynamics and test conditions on observed dynamic motions. It is proposed that these effects may be leveraged to develop new test techniques and refine test matrices in future tests to better define the nonlinear functional forms of blunt body dynamic stability curves.

Ga3+ as a mechanistic probe in Fe3+ transport: characterization of Ga3+ interaction with FbpA.

PubMed

Weaver, Katherine D; Heymann, Jared J; Mehta, Arnav; Roulhac, Petra L; Anderson, Damon S; Nowalk, Andrew J; Adhikari, Pratima; Mietzner, Timothy A; Fitzgerald, Michael C; Crumbliss, Alvin L

2008-08-01

The obligate human pathogens Haemophilus influenzae, Neisseria gonorrhoeae, and N. meningitidis utilize a highly conserved, three-protein ATP-binding cassette transporter (FbpABC) to shuttle free Fe(3+) from the periplasm and across the cytoplasmic membrane. The periplasmic binding protein, ferric binding protein (FbpA), is capable of transporting other trivalent cations, including Ga(3+), which, unlike Fe(3+), is not redox-active. Because of a similar size and charge as Fe(3+), Ga(3+) is widely used as a non-redox-active Fe(3+) substitute for studying metal complexation in proteins and bacterial populations. The investigations reported here elucidate the similarities and differences in FbpA sequestration of Ga(3+) and Fe(3+), focusing on metal selectivity and the resulting transport function. The thermodynamic binding constant for Ga(3+) complexed with FbpA at pH 6.5, in 50 mM 4-morpholineethanesulfonic acid, 200 mM KCl, 5 mM KH(2)PO(4) was determined by UV-difference spectroscopy as log K'eff=13.7+/-0.6. This represents a 10(5)-fold weaker binding relative to Fe(3+) at identical conditions. The unfolding/refolding behavior of Ga(3+) and Fe(3+) holo-FbpA were also studied using a matrix-assisted laser desorption/ionization time-of-flight mass spectroscopy technique, stability of unpurified proteins from rates of H/D exchange (SUPREX). This analysis indicates significant differences between Fe(3+) and Ga(3+) sequestration with regard to protein folding behavior. A series of kinetic experiments established the lability of the Ga(3+)FbpA-PO(4) assembly, and the similarities/differences of stepwise loading of Fe(3+) into apo- or Ga(3+)-loaded FbpA. These biophysical characterization data are used to interpret FbpA-mediated Ga(3+) transport and toxicity in cell culture studies.

Simultaneous determination of Ca, Cu, Ni, Zn and Cd binding strengths with fulvic acid fractions by Schubert's method

USGS Publications Warehouse

Brown, G.K.; MacCarthy, P.; Leenheer, J.A.

1999-01-01

The equilibrium binding of Ca2+, Ni2+, Cd2+, Cu2+ and Zn2+ with unfractionated Suwannee river fulvic acid (SRFA) and an enhanced metal binding subfraction of SRFA was measured using Schubert's ion-exchange method at pH 6.0 and at an ionic strength (??) of 0.1 (NaNO3). The fractionation and subfractionation were directed towards obtaining an isolate with an elevated metal binding capacity or binding strength as estimated by Cu2+ potentiometry (ISE). Fractions were obtained by stepwise eluting an XAD-8 column loaded with SRFA with water eluents of pH 1.0 to pH 12.0. Subfractions were obtained by loading the fraction eluted from XAD-8 at pH 5.0 onto a silica gel column and eluting with solvents of increasing polarity. Schuberts ion exchange method was rigorously tested by measuring simultaneously the conditional stability constants (K) of citric acid complexed with the five metals at pH 3.5 and 6.0. The logK of SRFA with Ca2+, Ni2+, Cd2+, Cu2+ and Zn2+ determined simultaneously at pH 6.0 follow the sequence of Cu2+>Cd2+>Ni2+>Zn2+>Ca2+ while all logK values increased for the enhanced metal binding subfraction and followed a different sequence of Cu2+>Cd2+>Ca2+>Ni2+>Zn2+. Both fulvic acid samples and citric acid exhibited a 1:1 metal to ligand stochiometry under the relatively low metal loading conditions used here. Quantitative 13C nuclear magnetic resonance spectroscopy showed increases in aromaticity and ketone content and decreases in aliphatic carbon for the elevated metal binding fraction while the carboxyl carbon, and elemental nitrogen, phosphorus, and sulfur content did not change. The more polar, elevated metal binding fraction did show a significant increase in molecular weight over the unfractionated SRFA. Copyright (C) 1999 Elsevier Science B.V.

An equation to predict the maximal lactate steady state from ramp-incremental exercise test data in cycling.

PubMed

Iannetta, Danilo; Fontana, Federico Y; Maturana, Felipe Mattioni; Inglis, Erin Calaine; Pogliaghi, Silvia; Keir, Daniel A; Murias, Juan M

2018-05-23

The maximal lactate steady state (MLSS) represents the highest exercise intensity at which an elevated blood lactate concentration ([Lac] b ) is stabilized above resting values. MLSS quantifies the boundary between the heavy-to-very-heavy intensity domains but its determination is not widely performed due to the number of trials required. This study aimed to: (i) develop a mathematical equation capable of predicting MLSS using variables measured during a single ramp-incremental cycling test and (ii) test the accuracy of the optimized mathematical equation. The predictive MLSS equation was determined by stepwise backward regression analysis of twelve independent variables measured in sixty individuals who had previously performed ramp-incremental exercise and in whom MLSS was known (MLSS obs ). Next, twenty-nine different individuals were prospectively recruited to test the accuracy of the equation. These participants performed ramp-incremental exercise to exhaustion and two-to-three 30-min constant-power output cycling bouts with [Lac] b sampled at regular intervals for determination of MLSS obs . Predicted MLSS (MLSS pred ) and MLSS obs in both phases of the study were compared by paired t-test, major-axis regression and Bland-Altman analysis. The predictor variables of MLSS were: respiratory compensation point (Wkg -1 ), peak oxygen uptake (V˙O 2peak ) (mlkg -1 min -1 ) and body mass (kg). MLSS pred was highly correlated with MLSS obs (r=0.93; p<0.01). When this equation was tested on the independent group, MLSS pred was not different from MLSS obs (234±43 vs. 234±44W; SEE 4.8W; r=0.99; p<0.01). These data support the validity of the predictive MLSS equation. We advocate its use as a time-efficient alternative to traditional MLSS testing in cycling. Copyright © 2018 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Rates and mechanism of fluoride and water exchange in UO(2)F(5)(3-) and [UO(2)F(4)(H(2)O)](2-) studied by NMR spectroscopy and wave function based methods.

PubMed

Vallet, Valérie; Wahlgren, Ulf; Szabó, Zoltán; Grenthe, Ingmar

2002-10-21

The reaction mechanism for the exchange of fluoride in UO(2)F(5)(3-) and UO(2)F(4)(H(2)O)(2-) has been investigated experimentally using (19)F NMR spectroscopy at -5 degrees C, by studying the line broadening of the free fluoride, UO(2)F(4)(2-)(aq) and UO(2)F(5)(3-), and theoretically using quantum chemical methods to calculate the activation energy for different pathways. The new experimental data allowed us to make a more detailed study of chemical equilibria and exchange mechanisms than in previous studies. From the integrals of the different individual peaks in the new NMR spectra, we obtained the stepwise stability constant K(5) = 0.60 +/- 0.05 M(-1) for UO(2)F(5)(3-). The theoretical results indicate that the fluoride exchange pathway of lowest activation energy, 71 kJ/mol, in UO(2)F(5)(3-) is water assisted. The pure dissociative pathway has an activation energy of 75 kJ/mol, while the associative mechanism can be excluded as there is no stable UO(2)F(6)(4-) intermediate. The quantum chemical calculations have been made at the SCF/MP2 levels, using a conductor-like polarizable continuum model (CPCM) to describe the solvent. The effects of different model assumptions on the activation energy have been studied. The activation energy is not strongly dependent on the cavity size or on interactions between the complex and Na(+) counterions. However, the solvation of the complex and the leaving fluoride results in substantial changes in the activation energy. The mechanism for water exchange in UO(2)F(4)(H(2)O)(2-) has also been studied. We could eliminate the associative mechanism, the dissociative mechanism had the lowest activation energy, 39 kJ/mol, while the interchange mechanism has an activation energy that is approximately 50 kJ/mol higher.

Very high pressure liquid chromatography using core-shell particles: quantitative analysis of fast gradient separations without post-run times.

PubMed

Stankovich, Joseph J; Gritti, Fabrice; Stevenson, Paul G; Beaver, Lois A; Guiochon, Georges

2014-01-17

Five methods for controlling the mobile phase flow rate for gradient elution analyses using very high pressure liquid chromatography (VHPLC) were tested to determine thermal stability of the column during rapid gradient separations. To obtain rapid separations, instruments are operated at high flow rates and high inlet pressure leading to uneven thermal effects across columns and additional time needed to restore thermal equilibrium between successive analyses. The purpose of this study is to investigate means to minimize thermal instability and obtain reliable results by measuring the reproducibility of the results of six replicate gradient separations of a nine component RPLC standard mixture under various experimental conditions with no post-run times. Gradient separations under different conditions were performed: constant flow rates, two sets of constant pressure operation, programmed flow constant pressure operation, and conditions which theoretically should yield a constant net heat loss at the column's wall. The results show that using constant flow rates, programmed flow constant pressures, and constant heat loss at the column's wall all provide reproducible separations. However, performing separations using a high constant pressure with programmed flow reduces the analysis time by 16% compared to constant flow rate methods. For the constant flow rate, programmed flow constant pressure, and constant wall heat experiments no equilibration time (post-run time) was required to obtain highly reproducible data. Copyright © 2013 Elsevier B.V. All rights reserved.

Quick generation of Raman spectroscopy based in-process glucose control to influence biopharmaceutical protein product quality during mammalian cell culture.

PubMed

Berry, Brandon N; Dobrowsky, Terrence M; Timson, Rebecca C; Kshirsagar, Rashmi; Ryll, Thomas; Wiltberger, Kelly

2016-01-01

Mitigating risks to biotherapeutic protein production processes and products has driven the development of targeted process analytical technology (PAT); however implementing PAT during development without significantly increasing program timelines can be difficult. The development of a monoclonal antibody expressed in a Chinese hamster ovary (CHO) cell line via fed-batch processing presented an opportunity to demonstrate capabilities of altering percent glycated protein product. Glycation is caused by pseudo-first order, non-enzymatic reaction of a reducing sugar with an amino group. Glucose is the highest concentration reducing sugar in the chemically defined media (CDM), thus a strategy controlling glucose in the production bioreactor was developed utilizing Raman spectroscopy for feedback control. Raman regions for glucose were determined by spiking studies in water and CDM. Calibration spectra were collected during 8 bench scale batches designed to capture a wide glucose concentration space. Finally, a PLS model capable of translating Raman spectra to glucose concentration was built using the calibration spectra and spiking study regions. Bolus feeding in mammalian cell culture results in wide glucose concentration ranges. Here we describe the development of process automation enabling glucose setpoint control. Glucose-free nutrient feed was fed daily, however glucose stock solution was fed as needed according to online Raman measurements. Two feedback control conditions were executed where glucose was controlled at constant low concentration or decreased stepwise throughout. Glycation was reduced from ∼9% to 4% using a low target concentration but was not reduced in the stepwise condition as compared to the historical bolus glucose feeding regimen. © 2015 American Institute of Chemical Engineers.

Effects of topographic data quality on estimates of shallow slope stability using different regolith depth models

USGS Publications Warehouse

Baum, Rex L.

2017-01-01

Thickness of colluvium or regolith overlying bedrock or other consolidated materials is a major factor in determining stability of unconsolidated earth materials on steep slopes. Many efforts to model spatially distributed slope stability, for example to assess susceptibility to shallow landslides, have relied on estimates of constant thickness, constant depth, or simple models of thickness (or depth) based on slope and other topographic variables. Assumptions of constant depth or thickness rarely give satisfactory results. Geomorphologists have devised a number of different models to represent the spatial variability of regolith depth and applied them to various settings. I have applied some of these models that can be implemented numerically to different study areas with different types of terrain and tested the results against available depth measurements and landslide inventories. The areas include crystalline rocks of the Colorado Front Range, and gently dipping sedimentary rocks of the Oregon Coast Range. Model performance varies with model, terrain type, and with quality of the input topographic data. Steps in contour-derived 10-m digital elevation models (DEMs) introduce significant errors into the predicted distribution of regolith and landslides. Scan lines, facets, and other artifacts further degrade DEMs and model predictions. Resampling to a lower grid-cell resolution can mitigate effects of facets in lidar DEMs of areas where dense forest severely limits ground returns. Due to its higher accuracy and ability to penetrate vegetation, lidar-derived topography produces more realistic distributions of cover and potential landslides than conventional photogrammetrically derived topographic data.

Impact of chemical oxidation on indigenous bacteria and mobilization of nutrients and subsequent bioremediation of crude oil-contaminated soil.

PubMed

Xu, Jinlan; Deng, Xin; Cui, Yiwei; Kong, Fanxing

2016-12-15

Fenton pre-oxidation provides nutrients to promote bioremediation. However, the effects of the indigenous bacteria that remain following Fenton oxidation on nutrient mobilization and subsequent bioremediation remain unclear. Experiments were performed with inoculation with native bacteria and foreign bacteria or without inoculation after four regimens of stepwise pre-oxidations. The effects of the indigenous bacteria remaining after stepwise oxidation on nutrient mobilization and subsequent bioremediation over 80 days were investigated. After stepwise Fenton pre-oxidation at a low H 2 O 2 concentration (225×4), the remaining indigenous bacterial populations reached their peak (4.8±0.17×10 6 CFU/g), the nutrients were mobilized rapidly, and the subsequent bioremediation of crude oil was improved (biodegradation efficiency of 35%). However, after stepwise Fenton pre-oxidation at a high H 2 O 2 concentration (450×4), only 3.6±0.16×10 3 CFU/g of indigenous bacteria remained, and the indigenous bacteria that degrade C 15 -C 30 alkanes were inhibited. The nutrient mobilization was then highly limited, and only 19% of total petroleum hydrocarbon was degraded. Furthermore, the recovery period after the low H 2 O 2 concentration stepwise Fenton pre-oxidation (225×4) was less than 20 days, which was 20-30 days shorter than with the other pre-oxidation treatments. Therefore, stepwise Fenton pre-oxidation at a low H 2 O 2 concentration protects indigenous bacterial populations and improves the nutrient mobilization and subsequent bioremediation. Copyright © 2016 Elsevier B.V. All rights reserved.

Evaluation on the stability of Hg in ABS disk CRM during measurements by wavelength dispersive X-ray fluorescence spectrometry.

PubMed

Ohata, Masaki; Kidokoro, Toshihiro; Hioki, Akiharu

2012-01-01

The stability of Hg in an acrylonitrile-butadiene-styrene disk certified reference material (ABS disk CRM, NMIJ CRM 8116-a) during measurements by wavelength dispersion X-ray fluorescence (WD-XRF) analysis was evaluated in this study. The XRF intensities of Hg (L(α)) and Pb (L(α)) as well as the XRF intensity ratios of Hg (L(α))/Pb (L(α)) observed under different X-ray tube current conditions as well as their irradiation time were examined to evaluate the stability of Hg in the ABS disk CRM. The observed XRF intensities and the XRF intensity ratios for up to 32 h of measurements under 80 mA of X-ray tube current condition were constant, even though the surface of the ABS disk CRM was charred by the X-ray irradiation with high current for a long time. Moreover, the measurements on Hg and Pb in the charred disks by an energy dispersive XRF (ED-XRF) spectrometer showed constant XRF intensity ratios of Hg (L(α))/Pb (L(α)). From these results, Hg in the ABS disk CRM was evaluated to be sufficiently stable for XRF analysis.

Research on Stabilization Properties of Inductive-Capacitive Transducers Based on Hybrid Electromagnetic Elements

NASA Astrophysics Data System (ADS)

Konesev, S. G.; Khazieva, R. T.; Kirllov, R. V.; Konev, A. A.

2017-01-01

Some electrical consumers (the charge system of storage capacitor, powerful pulse generators, electrothermal systems, gas-discharge lamps, electric ovens, plasma torches) require constant power consumption, while their resistance changes in the limited range. Current stabilization systems (CSS) with inductive-capacitive transducers (ICT) provide constant power, when the load resistance changes over a wide range and increaseы the efficiency of high-power loads’ power supplies. ICT elements are selected according to the maximum load, which leads to exceeding a predetermined value of capacity. The paper suggests carrying load power by the ICT based on multifunction integrated electromagnetic components (MIEC) to reduce the predetermined capacity of ICT elements and CSS weights and dimensions. The authors developed and patented ICT based on MIEC that reduces the CSS weights and dimensions by reducing components number with the possibility of device’s electric energy transformation and resonance frequency changing. An ICT mathematical model was produced. The model determines the width of the load stabilization range. Electromagnetic processes study model was built with the MIEC integral parameters (full inductance of the electrical lead, total capacity, current of electrical lead). It shows independence of the load current from the load resistance for different ways of MIEC connection.

Linear stability analysis of the three-dimensional thermally-driven ocean circulation: application to interdecadal oscillations

NASA Astrophysics Data System (ADS)

Huck, Thierry; Vallis, Geoffrey K.

2001-08-01

What can we learn from performing a linear stability analysis of the large-scale ocean circulation? Can we predict from the basic state the occurrence of interdecadal oscillations, such as might be found in a forward integration of the full equations of motion? If so, do the structure and period of the linearly unstable modes resemble those found in a forward integration? We pursue here a preliminary study of these questions for a case in idealized geometry, in which the full nonlinear behavior can also be explored through forward integrations. Specifically, we perform a three-dimensional linear stability analysis of the thermally-driven circulation of the planetary geostrophic equations. We examine the resulting eigenvalues and eigenfunctions, comparing them with the structure of the interdecadal oscillations found in the fully nonlinear model in various parameter regimes. We obtain a steady state by running the time-dependent, nonlinear model to equilibrium using restoring boundary conditions on surface temperature. If the surface heat fluxes are then diagnosed, and these values applied as constant flux boundary conditions, the nonlinear model switches into a state of perpetual, finite amplitude, interdecadal oscillations. We construct a linearized version of the model by empirically evaluating the tangent linear matrix at the steady state, under both restoring and constant-flux boundary conditions. An eigen-analysis shows there are no unstable eigenmodes of the linearized model with restoring conditions. In contrast, under constant flux conditions, we find a single unstable eigenmode that shows a striking resemblance to the fully-developed oscillations in terms of three-dimensional structure, period and growth rate. The mode may be damped through either surface restoring boundary conditions or sufficiently large horizontal tracer diffusion. The success of this simple numerical method in idealized geometry suggests applications in the study of the stability of the ocean circulation in more realistic configurations, and the possibility of predicting potential oceanic modes, even weakly damped, that might be excited by stochastic atmospheric forcing or mesoscale ocean eddies.

Equilibrium star formation in a constant Q disc: model optimization and initial tests

NASA Astrophysics Data System (ADS)

Zheng, Zheng; Meurer, Gerhardt R.; Heckman, Timothy M.; Thilker, David A.; Zwaan, Martin A.

2013-10-01

We develop a model for the distribution of the interstellar medium (ISM) and star formation in galaxies based on recent studies that indicate that galactic discs stabilize to a constant stability parameter, which we combine with prescriptions of how the phases of the ISM are determined and for the star formation law (SFL). The model predicts the gas surface mass density and star formation intensity of a galaxy given its rotation curve, stellar surface mass density and the gas velocity dispersion. This model is tested on radial profiles of neutral and molecular ISM surface mass density and star formation intensity of 12 galaxies selected from the H I Nearby Galaxy Survey sample. Our tests focus on intermediate radii (0.3 to 1 times the optical radius) because there are insufficient data to test the outer discs and the fits are less accurate in detail in the centre. Nevertheless, the model produces reasonable agreement with the ISM mass and star formation rate integrated over the central region in all but one case. To optimize the model, we evaluate four recipes for the stability parameter, three recipes for apportioning the ISM into molecular and neutral components, and eight versions of the SFL. We find no clear-cut best prescription for the two-fluid (gas and stars) stability parameter Q2f and therefore for simplicity, we use the Wang and Silk approximation (QWS). We found that an empirical scaling between the molecular-to-neutral ISM ratio (Rmol) and the stellar surface mass density proposed by Leroy et al. works marginally better than the other two prescriptions for this ratio in predicting the ISM profiles, and noticeably better in predicting the star formation intensity from the ISM profiles produced by our model with the SFLs we tested. Thus, in the context of our modelled ISM profiles, the linear molecular SFL and the two-component SFL work better than the other prescriptions we tested. We incorporate these relations into our `constant Q disc' model.

Lime treatment at depth : final report.

DOT National Transportation Integrated Search

1969-06-01

The presence of unstable cohesive soils is a constant problem in highway construction in Louisiana. An intimate mixture of soil and lime has been proven effective in improving the quality of these soils and lending stability to them. Economic conside...

Environmental Noise Could Promote Stochastic Local Stability of Behavioral Diversity Evolution

NASA Astrophysics Data System (ADS)

Zheng, Xiu-Deng; Li, Cong; Lessard, Sabin; Tao, Yi

2018-05-01

In this Letter, we investigate stochastic stability in a two-phenotype evolutionary game model for an infinite, well-mixed population undergoing discrete, nonoverlapping generations. We assume that the fitness of a phenotype is an exponential function of its expected payoff following random pairwise interactions whose outcomes randomly fluctuate with time. We show that the stochastic local stability of a constant interior equilibrium can be promoted by the random environmental noise even if the system may display a complicated nonlinear dynamics. This result provides a new perspective for a better understanding of how environmental fluctuations may contribute to the evolution of behavioral diversity.

A stability theorem for energy-balance climate models

NASA Technical Reports Server (NTRS)

Cahalan, R. F.; North, G. R.

1979-01-01

The paper treats the stability of steady-state solutions of some simple, latitude-dependent, energy-balance climate models. For north-south symmetric solutions of models with an ice-cap-type albedo feedback, and for the sum of horizontal transport and infrared radiation given by a linear operator, it is possible to prove a 'slope stability' theorem, i.e., if the local slope of the steady-state iceline latitude versus solar constant curve is positive (negative) the steady-state solution is stable (unstable). Certain rather weak restrictions on the albedo function and on the heat transport are required for the proof, and their physical basis is discussed.

Measurement of the 4 S1 /2→6 S1 /2 transition frequency in atomic potassium via direct frequency-comb spectroscopy

NASA Astrophysics Data System (ADS)

Stalnaker, J. E.; Ayer, H. M. G.; Baron, J. H.; Nuñez, A.; Rowan, M. E.

2017-07-01

We present an experimental determination of the 4 S1 /2→6 S1 /2 transition frequency in atomic potassium 39K, using direct frequency-comb spectroscopy. The output of a stabilized optical frequency comb was used to excite a thermal atomic vapor. The repetition rate of the frequency comb was scanned and the transitions were excited using stepwise two-photon excitation. The center-of-gravity frequency for the transition was found to be νcog=822 951 698.09 (13 ) MHz and the measured hyperfine A coefficient of the 6 S1 /2 state was 21.93 (11 ) MHz. The measurements are in agreement with previous values and represent an improvement by a factor of 700 in the uncertainty of the center-of-gravity measurement.

Stepwise encapsulation and controlled two-stage release system for cis-Diamminediiodoplatinum

PubMed Central

Chen, Yun; Li, Qian; Wu, Qingsheng

2014-01-01

cis-Diamminediiodoplatinum (cis-DIDP) is a cisplatin-like anticancer drug with higher anticancer activity, but lower stability and price than cisplatin. In this study, a cis-DIDP carrier system based on micro-sized stearic acid was prepared by an emulsion solvent evaporation method. The maximum drug loading capacity of cis-DIDP-loaded solid lipid nanoparticles was 22.03%, and their encapsulation efficiency was 97.24%. In vitro drug release in phosphate-buffered saline (pH =7.4) at 37.5°C exhibited a unique two-stage process, which could prove beneficial for patients with tumors and malignancies. MTT (3-[4,5-dimethylthiazol-2-yl]-2, 5-diphenyltetrazolium bromide) assay results showed that cis-DIDP released from cis-DIDP-loaded solid lipid nanoparticles had better inhibition activity than cis-DIDP that had not been loaded. PMID:25061294

Tropical Rainfall Analysis Using TRMM in Combination With Other Satellite Gauge Data: Comparison with Global Precipitation Climatology Project (GPCP) Results

NASA Technical Reports Server (NTRS)

Adler, Robert F.; Huffman, George J.; Bolvin, David; Nelkin, Eric; Curtis, Scott

1999-01-01

This paper describes recent results of using Tropical Rainfall Measuring Mission (TRMM) information as the key calibration tool in a merged analysis on a 1 deg x 1 deg latitude/longitude monthly scale based on multiple satellite sources and raingauge analysis. The procedure used to produce the GPCP data set is a stepwise approach which first combines the satellite low-orbit microwave and geosynchronous IR observations into a "multi-satellite" product and than merges that result with the raingauge analysis. Preliminary results produced with the still-stabilizing TRMM algorithms indicate that TRMM shows tighter spatial gradients in tropical rain maxima with higher peaks in the center of the maxima. The TRMM analyses will be used to evaluate the evolution of the 1998 ENSO variations, again in comparison with the GPCP analyses.

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

Boggs, S. Jr.; Livermore, D.; Seitz, M.G.

Dissolved humic substances (humic and fulvic acids) occur in surface waters and groundwaters in concentrations ranging from less than 1 mg(C)/L to more than 100 mg(C)/L. Humic substances are strong complexing agents for many trace metals in the environment and are also capable of forming stable soluble complexes or chelates with radionuclides. Concentrations of humic materials as low as 1 mg(C)/L can produce a detectable increase in the mobility of some actinide elements by forming soluble complexes that inhibit sorption of the radionuclides onto rock materials. The stability of trace metal- or radionuclide-organic complexes is commonly measured by an empiricallymore » determined conditional stability constant (K'), which is based on the ratio of complexed metal (radionuclide) in solution to the product concentration of uncomplexed metal and humic complexant. Larger values of stability constants indicate greater complex stability. The stability of radionuclide-organic complexes is affected both by concentration variables and envionmental factors. In general, complexing is favored by increased of radionuclide, increased pH, and decreased ionic strength. Actinide elements are generally most soluble in their higher oxidation states. Radionuclides can also form stable, insoluble complexes with humic materials that tend to reduce radionuclide mobility. These insoluble complexes may be radionuclide-humate colloids that subsequently precipitate from solution, or complexes of radionuclides and humic substances that sorb to clay minerals or other soil particulates strongly enough to immobilize the radionuclides. Colloid formation appears to be favored by increased radionuclide concentration and lowered pH; however, the conditions that favor formation of insoluble complexes that sorb to particulates are still poorly understood. 129 refs., 25 figs., 19 tabs.« less

Empirical Estimation of Local Dielectric Constants: Toward Atomistic Design of Collagen Mimetic Peptides

PubMed Central

Pike, Douglas H.; Nanda, Vikas

2017-01-01

One of the key challenges in modeling protein energetics is the treatment of solvent interactions. This is particularly important in the case of peptides, where much of the molecule is highly exposed to solvent due to its small size. In this study, we develop an empirical method for estimating the local dielectric constant based on an additive model of atomic polarizabilities. Calculated values match reported apparent dielectric constants for a series of Staphylococcus aureus nuclease mutants. Calculated constants are used to determine screening effects on Coulombic interactions and to determine solvation contributions based on a modified Generalized Born model. These terms are incorporated into the protein modeling platform protCAD, and benchmarked on a data set of collagen mimetic peptides for which experimentally determined stabilities are available. Computing local dielectric constants using atomistic protein models and the assumption of additive atomic polarizabilities is a rapid and potentially useful method for improving electrostatics and solvation calculations that can be applied in the computational design of peptides. PMID:25784456

Electrophoretic deposition (EPD): Mechanisms, kinetics, and application to ceramics

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

Sarkar, P.; Nicholson, P.S.

1996-08-01

The mechanisms of electrophoretic deposition (EPD) are discussed and their shortcomings identified. The kinetics of the processes involved are analyzed for constant-current and constant-voltage conditions. A method of determining the Hamaker constant of suspended particles is developed by modeling the relationship between the particle interaction energy and the suspension stability. A three-probe dc technique is used to map the voltage profile around the depositing electrode, and the results are used to explain discrepancies between the calculated and experimentally observed voltage drops during deposition. A mechanism of deposition is proposed based on DLVO theory and particle double-layer distortion/thinning on application ofmore » a dc field to the suspension. Kinetic equations are developed for constant-current and constant-voltage EPD using mass balance conditions; these are verified by experiments. After the phenomenon is introduced and discussed, a critique of the application of EPD to the synthesis of ceramic shapes and coatings is given.« less

A direct comparison of spine rotational stiffness and dynamic spine stability during repetitive lifting tasks.

PubMed

Graham, Ryan B; Brown, Stephen H M

2012-06-01

Stability of the spinal column is critical to bear loads, allow movement, and at the same time avoid injury and pain. However, there has been a debate in recent years as to how best to define and quantify spine stability, with the outcome being that different methods are used without a clear understanding of how they relate to one another. Therefore, the goal of the present study was to directly compare lumbar spine rotational stiffness, calculated with an EMG-driven biomechanical model, to local dynamic spine stability calculated using Lyapunov analyses of kinematic data, during a series of continuous dynamic lifting challenges. Twelve healthy male subjects performed 30 repetitive lifts under three varying load and three varying rate conditions. With an increase in the load lifted (constant rate) there was a significant increase in mean, maximum, and minimum spine rotational stiffness (p<0.001) and a significant increase in local dynamic stability (p<0.05); both stability measures were moderately to strongly related to one another (r=-0.55 to -0.71). With an increase in lifting rate (constant load), there was also a significant increase in mean and maximum spine rotational stiffness (p<0.01); however, there was a non-significant decrease in the minimum rotational stiffness and a non-significant decrease in local dynamic stability (p>0.05). Weak linear relationships were found for the varying rate conditions (r=-0.02 to -0.27). The results suggest that spine rotational stiffness and local dynamic stability are closely related to one another, as they provided similar information when movement rate was controlled. However, based on the results from the changing lifting rate conditions, it is evident that both models provide unique information and that future research is required to completely understand the relationship between the two models. Using both techniques concurrently may provide the best information regarding the true effects of (in) stability under different loading and movement scenarios, and in comparing healthy and clinical populations. Copyright © 2012 Elsevier Ltd. All rights reserved.

Organic solar cells based on high dielectric constant materials: An approach to increase efficiency

NASA Astrophysics Data System (ADS)

Hamam, Khalil Jumah Tawfiq

The efficiency of organic solar cells still lags behind inorganic solar cells due to their low dielectric constant which results in a weakly screened columbic attraction between the photogenerated electron-hole system, therefore the probability of charge separating is low. Having an organic material with a high dielectric constant could be the solution to get separated charges or at least weakly bounded electron-hole pairs. Therefore, high dielectric constant materials have been investigated and studied by measuring modified metal-phthalocyanine (MePc) and polyaniline in pellets and thin films. The dielectric constant was investigated as a function of temperature and frequency in the range of 20Hz to1MHz. For MePc we found that the high dielectric constant was an extrinsic property due to water absorption and the formation of hydronuim ion allowed by the ionization of the functional groups such as sulphonated and carboxylic groups. The dielectric constant was high at low frequencies and decreasing as the frequency increase. Investigated materials were applied in fabricated bilayer heterojunction organic solar cells. The application of these materials in an organic solar cells show a significant stability under room conditions rather than improvement in their efficiency.

Size-dependent Hamaker constants for silver and gold nanoparticles

NASA Astrophysics Data System (ADS)

Pinchuk, Pavlo; Jiang, Ke

2015-08-01

Hamaker-Lifshitz constants are material specific constants that are used to calculate van der Waals interaction forces between small particles in solution. Typically, these constants are size-independent and material specific. According to the Lifshitz theory, the Hamaker-Lifshitz constants can be calculated by taking integrals that include the dielectric permittivity, as a function of frequency, of the interacting particles and the medium around particles. The dielectric permittivity of interacting metal nanoparticles can be calculated using the Drude model, which is based on the assumption of motion of free conducting electrons. For bulk metals, the Drude model does not predict any sizedependence of the dielectric permittivity. However, the conducting electrons in small noble metal nanoparticles (R ~ 10nm) exhibit surface scattering, which changes the complex permittivity function. In this work, we show theoretically that scattering of the free conducting electrons inside silver and gold nanoparticles with the size of 1 - 50 nm leads to size-dependent dielectric permittivity and Hamaker-Lifshitz constants. We calculate numerically the Hamaker-Lifshitz constants for silver and gold nanoparticles with different diameters. The results of the study might be of interests for understanding colloidal stability of metal nanoparticles.

Effect of drug lipophilicity on in vitro release rate from oil vehicles using nicotinic acid esters as model prodrug derivatives.

PubMed

Weng Larsen, S; Engelbrecht Thomsen, A E; Rinvar, E; Friis, G J; Larsen, C

2001-03-23

The rate constants for transfer of a homologous series of nicotinic acid esters from oil vehicles to aqueous buffer phases were determined using a rotating dialysis cell. The chemical stability of butyl nicotinate has been investigated at 60 degrees C over pH range 0.5--10. Maximum stability occurs at pH 4--5 and an inflection point was seen around the pK(a). For the nicotinic acid esters, a linear correlation was established between the first-order rate constant related to attainment of equilibrium, k(obs) and the apparent partition coefficient, P(app): log k(obs)=-0.83log P(app)+0.26 (k(obs) in h(-1), n=9). For hexyl nicotinate with a true partition coefficient of 4 it was possible to determine k(obs) by decreasing pH in the aqueous release medium to 2.05. Thus, under the latter experimental conditions estimation of the relative release rates for the esters were performed. The ratio between the specific rate constant k(ow), related to the transport from oil vehicle to aqueous phase, for ethyl and hexyl nicotinate was 139. The hydrophobic substituent constant for a methylene group, pi(CH(2)), was determined for nicotinic acid esters in different oil/buffer partitioning systems to 0.54--0.58. Addition of hydroxypropyl-beta-cyclodextrin to the aqueous release medium did not enhance the transport rate of the esters from the oil phase.

Ion Homeostasis in Chloroplasts under Salinity and Mineral Deficiency 1

PubMed Central

Schröppel-Meier, Gabriele; Kaiser, Werner M.

1988-01-01

Spinach (Spinacia oleracea var “Yates”) plants in hydroponic culture were exposed to stepwise increased concentrations of NaCl or NaNO3 up to a final concentration of 300 millimoles per liter, at constant Ca2+-concentration. Leaf cell sap and extracts from aqueously isolated spinach chloroplasts were analyzed for mineral cations, anions, amino acids, sugars, and quarternary ammonium compounds. Total osmolality of leaf sap and photosynthetic capacity of leaves were also measured. For comparison, leaf sap from salt-treated pea plants was also analyzed. Spinach plants under NaCl or NaNO3 salinity took up large amounts of sodium (up to 400 millimoles per liter); nitrate as the accompanying anion was taken up less (up to 90 millimoles per liter) than chloride (up to 450 millimoles per liter). Under chloride salinity, nitrate content in leaves decreased drastically, but total amino acid concentrations remained constant. This response was much more pronounced (and occurred at lower salt concentrations) in leaves from the glycophyte (pea, Pisum sativum var “Kleine Rheinländerin”) than from moderately salt-tolerant spinach. In spinach, sodium chloride or nitrate taken up into leaves was largely sequestered in the vacuoles; both salts induced synthesis of quarternary ammonium compounds, which were accumulated mainly in chloroplasts (and cytosol). This prevented impairment of metabolism, as indicated by an unchanged photosynthetic capacity of leaves. PMID:16666232

Cushing's syndrome: Stepwise approach to diagnosis

PubMed Central

Lila, Anurag R.; Sarathi, Vijaya; Jagtap, Varsha S.; Bandgar, Tushar; Menon, Padmavathy; Shah, Nalini S.

2011-01-01

The projected prevalence of Cushing's syndrome (CS) inclusive of subclinical cases in the adult population ranges from 0.2–2% and it may no longer be considered as an orphan disease (2–3 cases/million/year). The recognition of CS by physicians is important for early diagnosis and treatment. Late-night salivary cortisol, dexamethasone suppressiontesti, or 24-h urine free cortisol are good screening tests. Positively screened cases need stepwise evaluation by an endocrinologist. This paper discusses the importance of screening for CS and suggests a stepwise diagnostic approach to a case of suspected hypercortisolism. PMID:22145134

Effectiveness of large booms as nutation dampers for spin stabilized spacecraft

NASA Technical Reports Server (NTRS)

Eke, F. O.

1991-01-01

The issue of using long slender booms as pendulous nutation damping devices on spinning aircraft is discussed. Motivation comes from experience with the Galileo Spacecraft, whose magnetometer boom also serves as a passive nutation damper for the spacecraft. Performance analysis of a spacecraft system equipped with such systems are relatively insensitive to changes in the damping constant of the device. However, the size and arrangement of such a damper raises important questions concerning spacecraft stability in general.

The Uniform Cost Accounting System and Stabilized Rates at Anniston Army Depot, Anniston, Alabama.

DTIC Science & Technology

1985-12-01

Requirements DoD Department of Defense EIMDR End Item Materiel Data Record - FY Fiscal Year 9 *4N GAAP Generally Accepted Accounting Principles GAE...objec- tive of enhancing customer convenience by holding depot bill- ing rates constant throughout the fiscal year. However, they have done so at the...stabilized rate. The Department of the Army’s decision to hold the unit cost of the D160Al to $91,144 in June of 1976 further compounded the situation

Consensus-Based Formation Control of a Class of Multi-Agent Systems

NASA Technical Reports Server (NTRS)

Joshi, Suresh; Gonzalez, Oscar R.

2014-01-01

This paper presents a consensus-based formation control scheme for autonomous multi-agent systems represented by double integrator dynamics. Assuming that the information graph topology consists of an undirected connected graph, a leader-based consensus-type control law is presented and shown to provide asymptotic formation stability when subjected to piecewise constant formation velocity commands. It is also shown that global asymptotic stability is preserved in the presence of (0, infinity)- sector monotonic non-decreasing actuator nonlinearities.

Local stability condition of the equilibrium of an oligopoly market with bounded rationality adjustment

NASA Astrophysics Data System (ADS)

Ibrahim, Adyda; Saaban, Azizan; Zaibidi, Nerda Zura

2017-11-01

This paper considers an n-firm oligopoly market where each firm produces a single homogenous product under a constant unit cost. Nonlinearity is introduced into the model of this oligopoly market by assuming the market has an isoelastic demand function. Furthermore, instead of the usual assumption of perfectly rational firms, they are assumed to be boundedly rational in adjusting their outputs at each period. The equilibrium of this n discrete dimensional system is obtained and its local stability is calculated.

THE STUDY OF HIGH DIELECTRIC CONSTANT MECHANISM OF La-DOPED Ba0.67Sr0.33TiO3 CERAMICS

NASA Astrophysics Data System (ADS)

Xu, Jing; He, Bo; Liu, Han Xing

It is a common and effective method to enhance the dielectric properties of BST ceramics by adding rare-earth elements. In this paper, it is important to analyze the cause of the high dielectric constant behavior of La-doped BST ceramics. The results show that proper rare earth La dopant (0.2≤x≤0.7) may greatly increase the dielectric constant of BST ceramics, and also improve the temperature stability, evidently. According to the current-voltage (J-V) characteristics, the proper La-doped BST ceramics may reach the better semiconductivity, with the decrease and increase in La doping, the ceramics are insulators. By using the Schottky barrier model and electric microstructure model to find the surface or grain boundary potential barrier height, the width of the depletion layer and grain size do play an important role in impacting the dielectric constant.

Ab initio predictions of structural and elastic properties of struvite: contribution to urinary stone research.

PubMed

Piechota, Jacek; Prywer, Jolanta; Torzewska, Agnieszka

2012-01-01

In the present work, we carried out density functional calculations of struvite--the main component of the so-called infectious urinary stones--to study its structural and elastic properties. Using a local density approximation and a generalised gradient approximation, we calculated the equilibrium structural parameters and elastic constants C(ijkl). At present, there is no experimental data for these elastic constants C (ijkl) for comparison. Besides the elastic constants, we also present the calculated macroscopic mechanical parameters, namely the bulk modulus (K), the shear modulus (G) and Young's modulus (E). The values of these moduli are found to be in good agreement with available experimental data. Our results imply that the mechanical stability of struvite is limited by the shear modulus, G. The study also explores the energy-band structure to understand the obtained values of the elastic constants.

Hamaker constants of iron oxide nanoparticles.

PubMed

Faure, Bertrand; Salazar-Alvarez, German; Bergström, Lennart

2011-07-19

The Hamaker constants for iron oxide nanoparticles in various media have been calculated using Lifshitz theory. Expressions for the dielectric responses of three iron oxide phases (magnetite, maghemite, and hematite) were derived from recently published optical data. The nonretarded Hamaker constants for the iron oxide nanoparticles interacting across water, A(1w1) = 33 - 39 zJ, correlate relatively well with previous reports, whereas the calculated values in nonpolar solvents (hexane and toluene), A(131) = 9 - 29 zJ, are much lower than the previous estimates, particularly for magnetite. The magnitude of van der Waals interactions varies significantly between the studied phases (magnetite < maghemite < hematite), which highlights the importance of a thorough characterization of the particles. The contribution of magnetic dispersion interactions for particle sizes in the superparamagnetic regime was found to be negligible. Previous conjectures related to colloidal stability and self-assembly have been revisited on the basis of the new Lifshitz values of the Hamaker constants.

Validation of a Statistical Methodology for Extracting Vegetation Feedbacks: Focus on North African Ecosystems in the Community Earth System Model

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

Yu, Yan; Notaro, Michael; Wang, Fuyao

Generalized equilibrium feedback assessment (GEFA) is a potentially valuable multivariate statistical tool for extracting vegetation feedbacks to the atmosphere in either observations or coupled Earth system models. The reliability of GEFA at capturing the terrestrial impacts on regional climate is demonstrated in this paper using the National Center for Atmospheric Research Community Earth System Model (CESM), with focus on North Africa. The feedback is assessed statistically by applying GEFA to output from a fully coupled control run. To reduce the sampling error caused by short data records, the traditional or full GEFA is refined through stepwise GEFA by dropping unimportantmore » forcings. Two ensembles of dynamical experiments are developed for the Sahel or West African monsoon region against which GEFA-based vegetation feedbacks are evaluated. In these dynamical experiments, regional leaf area index (LAI) is modified either alone or in conjunction with soil moisture, with the latter runs motivated by strong regional soil moisture–LAI coupling. Stepwise GEFA boasts higher consistency between statistically and dynamically assessed atmospheric responses to land surface anomalies than full GEFA, especially with short data records. GEFA-based atmospheric responses are more consistent with the coupled soil moisture–LAI experiments, indicating that GEFA is assessing the combined impacts of coupled vegetation and soil moisture. Finally, both the statistical and dynamical assessments reveal a negative vegetation–rainfall feedback in the Sahel associated with an atmospheric stability mechanism in CESM versus a weaker positive feedback in the West African monsoon region associated with a moisture recycling mechanism in CESM.« less

Validation of a Statistical Methodology for Extracting Vegetation Feedbacks: Focus on North African Ecosystems in the Community Earth System Model

DOE PAGES

Yu, Yan; Notaro, Michael; Wang, Fuyao; ...

2018-02-05

Generalized equilibrium feedback assessment (GEFA) is a potentially valuable multivariate statistical tool for extracting vegetation feedbacks to the atmosphere in either observations or coupled Earth system models. The reliability of GEFA at capturing the terrestrial impacts on regional climate is demonstrated in this paper using the National Center for Atmospheric Research Community Earth System Model (CESM), with focus on North Africa. The feedback is assessed statistically by applying GEFA to output from a fully coupled control run. To reduce the sampling error caused by short data records, the traditional or full GEFA is refined through stepwise GEFA by dropping unimportantmore » forcings. Two ensembles of dynamical experiments are developed for the Sahel or West African monsoon region against which GEFA-based vegetation feedbacks are evaluated. In these dynamical experiments, regional leaf area index (LAI) is modified either alone or in conjunction with soil moisture, with the latter runs motivated by strong regional soil moisture–LAI coupling. Stepwise GEFA boasts higher consistency between statistically and dynamically assessed atmospheric responses to land surface anomalies than full GEFA, especially with short data records. GEFA-based atmospheric responses are more consistent with the coupled soil moisture–LAI experiments, indicating that GEFA is assessing the combined impacts of coupled vegetation and soil moisture. Finally, both the statistical and dynamical assessments reveal a negative vegetation–rainfall feedback in the Sahel associated with an atmospheric stability mechanism in CESM versus a weaker positive feedback in the West African monsoon region associated with a moisture recycling mechanism in CESM.« less

Lithium might be associated with better decision-making performance in euthymic bipolar patients.

PubMed

Adida, Marc; Jollant, Fabrice; Clark, Luke; Guillaume, Sebastien; Goodwin, Guy M; Azorin, Jean-Michel; Courtet, Philippe

2015-06-01

Bipolar disorder is associated with impaired decision-making. Little is known about how treatment, especially lithium, influences decision-making abilities in bipolar patients when euthymic. We aimed at testing for an association between lithium medication and decision-making performance in remitted bipolar patients. Decision-making was measured using the Iowa Gambling Task in 3 groups of subjects: 34 and 56 euthymic outpatients with bipolar disorder, treated with lithium (monotherapy and lithium combined with anticonvulsant or antipsychotic) and without lithium (anticonvulsant, antipsychotic and combination treatment), respectively, and 152 matched healthy controls. Performance was compared between the 3 groups. In the 90 euthymic patients, the relationship between different sociodemographic and clinical variables and decision-making was assessed by stepwise multivariate regression analysis. Euthymic patients with lithium (p=0.007) and healthy controls (p=0.001) selected significantly more cards from the safe decks than euthymic patients without lithium, with no significant difference between euthymic patients with lithium and healthy controls (p=0.9). In the 90 euthymic patients, the stepwise linear multivariate regression revealed that decision-making was significantly predicted (p<0.001) by lithium dose, level of education and no family history of bipolar disorder (all p≤0.01). Because medication was not randomized, it was not possible to discriminate the effect of different medications. Lithium medication might be associated with better decision-making in remitted bipolar patients. A randomized trial is required to test for the hypothesis that lithium, but not other mood stabilizers, may specifically improve decision-making abilities in bipolar disorder. Copyright © 2015 Elsevier B.V. and ECNP. All rights reserved.

Biochemical characterization of matrilysin. Activation conforms to the stepwise mechanisms proposed for other matrix metalloproteinases.

PubMed

Crabbe, T; Willenbrock, F; Eaton, D; Hynds, P; Carne, A F; Murphy, G; Docherty, A J

1992-09-15

The latent precursor of matrilysin (EC 3.4.24.23; punctuated metalloproteinase (PUMP) was purified from transfected mouse myeloma cell conditioned medium and was found to contain one zinc atom per molecule which was essential for catalytic activity. Promatrilysin could be activated to the same specific activity by (4-aminophenyl)mercuric acetate, trypsin, and incubation at elevated temperatures (heat activation). Active matrilysin hydrolyzed the fluorescent substrate 2,4-dinitrophenyl-Pro-Leu-Gly-Leu-Trp-Ala-D-Arg-NH2 at the Gly-Leu bond with a maximum value for kcat/Km of 1.3 x 10(4) M-1 s-1 at the pH optimum of 6.5 and pKa values of 4.60 and 8.65. Activity is inhibited by the tissue inhibitor of metalloproteinases-1 in a 1:1 stoichiometric interaction. Analysis by sodium dodecyl sulfate polyacrylamide gel electrophoresis in conjunction with N-terminal sequencing revealed that, as with all other matrix metalloproteinases similarly studied, promatrilysin activation was accompanied by the stepwise proteolytic removal of an M(r) 9000 propeptide from the N-terminus. The intermediates generated were dependent on the mode of activation used but, in all cases studied, activation terminated with an autocatalytic cleavage at E77-Y78 to yield the final M(r) 19,000 active matrilysin. From an analysis of the stability of the various intermediates, we propose that the sequence L13-K33 is particularly important in protecting the E77-Y78 site from autocatalytic cleavage, thereby maintaining the latency of the proenzyme.

Understanding the Evolution and Stability of the G-Matrix

PubMed Central

Arnold, Stevan J.; Bürger, Reinhard; Hohenlohe, Paul A.; Ajie, Beverley C.; Jones, Adam G.

2011-01-01

The G-matrix summarizes the inheritance of multiple, phenotypic traits. The stability and evolution of this matrix are important issues because they affect our ability to predict how the phenotypic traits evolve by selection and drift. Despite the centrality of these issues, comparative, experimental, and analytical approaches to understanding the stability and evolution of the G-matrix have met with limited success. Nevertheless, empirical studies often find that certain structural features of the matrix are remarkably constant, suggesting that persistent selection regimes or other factors promote stability. On the theoretical side, no one has been able to derive equations that would relate stability of the G-matrix to selection regimes, population size, migration, or to the details of genetic architecture. Recent simulation studies of evolving G-matrices offer solutions to some of these problems, as well as a deeper, synthetic understanding of both the G-matrix and adaptive radiations. PMID:18973631

Effect of nose shape and tail length on supersonic stability characteristics of a projectile

NASA Technical Reports Server (NTRS)

Sawyer, W. C.; Collins, I. K.

1973-01-01

The effect of nose shape and tail length on the static stability of a fin-stabilized projectile has been investigated in the Langley Unitary Plan with tunnel at angles of attack to about 12 deg for a Mach number range from 1.5 to 2.5. The tests were made at a constant Reynolds number of 6.56 x 1,000,000 per meter. The results of the investigation showed that nose shape had no effect on the static stability. Increasing the tail length resulted in a progressively stabilizing tendency. However, only the 1.5-caliber-tail-length configuration was stable over the test angle-of-attack range at Mach number 1.5. This configuration was marginally stable or unstable at the higher Mach numbers, and the shorter configurations were unstable at all Mach numbers for either part of or the entire test angle-of-attack range.

Stability of nickel(II) glycylglycinate complexes in aqueous solutions of dimethylsulfoxide at 298.15 K

NASA Astrophysics Data System (ADS)

Naumov, V. V.; Isaeva, V. A.; Kovaleva, Yu. A.; Sharnin, V. A.

2013-07-01

Stability constants of nickel(II) glycylglycinate complexes in aqueous solutions of dimethylsulfoxide of variable composition (from 0.00 to 0.60 mole fractions DMSO) are determined according to potentiometry at 298.15 K and an ionic strength of 0.1 M (NaClO4). It is determined that with a rise in the concentration of an organic cosolvent in solution, the stability of nickel(II) complexes with glycylglycinate ion on the whole increases, but the log K stability = f( X DMSO) dependences are of a critical character with a maximum of 0.3 mole fractions DMSO. It is demonstrated that the rise in the stability of complexes is related to the destabilization of ligands in the low concentration range of the organic component, while the presence of a maximum is due to the different dynamics of the solvation contributions from reagents during changes in the Gibbs energy of reaction.

Model of continual metabolism species for estimating stability of CELSS and natural ecosystems

NASA Astrophysics Data System (ADS)

Bartsev, S. I.

Estimation of stability range of natural and man-made ecosystems is necessary for effective control of them However traditional ecological models usually underestimate stability of real ecosystems It takes place due to the usage of fixed stoichiometry model of metabolism The objective is in creating theoretical and mathematical models for adequate description of both man-made and natural ecological systems A concept of genetically fixed but metabolically flexible species is considered in the paper According to the concept the total flow of matter through ecological system is supported at almost constant level depending on energy income by flexibility of metabolic organization of genetic species It is shown introducing continual metabolism species extends the range of stability making its estimation more adequate to real ecological systems

Stability testing and analysis of a PMAD dc test bed for the Space Station Freedom

NASA Technical Reports Server (NTRS)

Button, Robert M.; Brush, Andrew S.

1992-01-01

The Power Management and Distribution (PMAD) dc Test Bed at the NASA Lewis Research Center is introduced. Its usefulness to the Space Station Freedom Electrical Power (EPS) development and design are discussed in context of verifying system stability. Stability criteria developed by Middlebrook and Cuk are discussed as they apply to constant power dc to dc converters exhibiting negative input impedance at low frequencies. The utility-type Secondary Subsystem is presented and each component is described. The instrumentation used to measure input and output impedance under load is defined. Test results obtained from input and output impedance measurements of test bed components are presented. It is shown that the PMAD dc Test Bed Secondary Subsystem meets the Middlebrook stability criterion for certain loading conditions.

Stability Testing and Analysis of a PMAD DC Test Bed for the Space Station Freedom

NASA Technical Reports Server (NTRS)

Button, Robert M.; Brush, Andrew S.

1992-01-01

The Power Management and Distribution (PMAD) DC Test Bed at the NASA Lewis Research Center is introduced. Its usefulness to the Space Station Freedom Electrical Power (EPS) development and design are discussed in context of verifying system stability. Stability criteria developed by Middlebrook and Cuk are discussed as they apply to constant power DC to DC converters exhibiting negative input impedance at low frequencies. The utility-type Secondary Subsystem is presented and each component is described. The instrumentation used to measure input and output impedance under load is defined. Test results obtained from input and output impedance measurements of test bed components are presented. It is shown that the PMAD DC Test Bed Secondary Subsystem meets the Middlebrook stability criterion for certain loading conditions.

Active stabilization of a diode laser injection lock.

PubMed

Saxberg, Brendan; Plotkin-Swing, Benjamin; Gupta, Subhadeep

2016-06-01

We report on a device to electronically stabilize the optical injection lock of a semiconductor diode laser. Our technique uses as discriminator the peak height of the laser's transmission signal on a scanning Fabry-Perot cavity and feeds back to the diode current, thereby maintaining maximum optical power in the injected mode. A two-component feedback algorithm provides constant optimization of the injection lock, keeping it robust to slow thermal drifts and allowing fast recovery from sudden failures such as temporary occlusion of the injection beam. We demonstrate the successful performance of our stabilization method in a diode laser setup at 399 nm used for laser cooling of Yb atoms. The device eases the requirements on passive stabilization and can benefit any diode laser injection lock application, particularly those where several such locks are employed.

Step-wise addition of disulfide bridge in firefly luciferase controls color shift through a flexible loop: a thermodynamic perspective.

PubMed

Nazari, Mahboobeh; Hosseinkhani, Saman; Hassani, Leila

2013-02-01

Multi-color bioluminescence is developed using the introduction of single/double disulfide bridges in firefly luciferase. The bioluminescence reaction, which uses luciferin, Mg(2+)-ATP and molecular oxygen to yield an electronically excited oxyluciferin, is carried out by the luciferase and emits visible light. The bioluminescence color of firefly luciferases is determined by the luciferase sequence and assay conditions. It has been proposed that the stability of a protein may increase through the introduction of a disulfide bridge that decreases the configurational entropy of unfolding. Single and double disulfide bridges are introduced into Photinus pyralis firefly luciferase to make separate mutant enzymes with a single/double bridge (C(81)-A(105)C, L(306)C-L(309)C, P(451)C-V(469)C; C(81)-A(105)C/P(451)C-V(469)C, and A(296)C-A(326)C/P(451)C-V(469)C). By introduction of disulfide bridges using site-directed mutagenesis in Photinus pyralis luciferase the color of emitted light was changed to red or kept in different extents. The bioluminescence color shift occurred with displacement of a critical loop in the luciferase structure without any change in green emitter mutants. Thermodynamic analysis revealed that among mutants, L(306)C-L(309)C shows a remarkable stability against urea denaturation and also a considerable increase in kinetic stability and a clear shift in bioluminescence spectra towards red.

Design and Measurements of Dual-Polarized Wideband Constant-Beamwidth Quadruple-Ridged Flared Horn

NASA Technical Reports Server (NTRS)

Akgiray, Ahmed; Weinreb, Sander; Imbriale, William

2011-01-01

A quad-ridged, flared horn achieving nearly constant beamwidth and excellent return loss over a 6:1 frequency bandwidth is presented. Radiation pattern measurements show excellent beamwidth stability from 2 to 12 GHz. Measured return loss is > 10 dB over the entire band and > 15 dB from 2.5 to 11 GHz. Using a custom physical optics code, system performance of a radio telescope is computed and predicted performance is average 70% aperture efficiency and 10 Kelvin of antenna noise temperature.

On the sensitivity of mesoscale models to surface-layer parameterization constants

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Pielke, R. A.

1989-09-01

The Colorado State University standard mesoscale model is used to evaluate the sensitivity of one-dimensional (1D) and two-dimensional (2D) fields to differences in surface-layer parameterization “constants”. Such differences reflect the range in the published values of the von Karman constant, Monin-Obukhov stability functions and the temperature roughness length at the surface. The sensitivity of 1D boundary-layer structure, and 2D sea-breeze intensity, is generally less than that found in published comparisons related to turbulence closure schemes generally.

On inflation, cosmological constant, and SUSY breaking

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

Linde, Andrei

2016-11-02

We consider a broad class of inflationary models of two unconstrained chiral superfields, the stabilizer S and the inflaton Φ, which can describe inflationary models with nearly arbitrary potentials. These models include, in particular, the recently introduced theories of cosmological attractors, which provide an excellent fit to the latest Planck data. We show that by adding to the superpotential of the fields S and Φ a small term depending on a nilpotent chiral superfield P one can break SUSY and introduce a small cosmological constant without affecting main predictions of the original inflationary scenario.

Colloidal Dynamics Simulations of Rheology and Stability of Concentrated Fuel Slurries.

DTIC Science & Technology

1987-04-10

Weals potential as the adsorbed polymer concentration and Hamaker con- stant are changed. These calculations provide quantitative evidence for the...derived by Hamaker : 3 6 U (r) A d 2 2 +2Ln( 2- d2(3 A T2 2 2 2 2 A value of 5.0 x 10" 2 0 j was used for the Hamaker constant, A. A plot of Eq. (31) is...parameter controlling the strength of the repulsive steric potential. The Hamaker constant A (Eq. (33)) is the nat- ural choice for the attractive

Integration of a supersonic unsteady aerodynamic code into the NASA FASTEX system

NASA Technical Reports Server (NTRS)

Appa, Kari; Smith, Michael J. C.

1987-01-01

A supersonic unsteady aerodynamic loads prediction method based on the constant pressure method was integrated into the NASA FASTEX system. The updated FASTEX code can be employed for aeroelastic analyses in subsonic and supersonic flow regimes. A brief description of the supersonic constant pressure panel method, as applied to lifting surfaces and body configurations, is followed by a documentation of updates required to incorporate this method in the FASTEX code. Test cases showing correlations of predicted pressure distributions, flutter solutions, and stability derivatives with available data are reported.

Impact of statistical learning methods on the predictive power of multivariate normal tissue complication probability models.

PubMed

Xu, Cheng-Jian; van der Schaaf, Arjen; Schilstra, Cornelis; Langendijk, Johannes A; van't Veld, Aart A

2012-03-15

To study the impact of different statistical learning methods on the prediction performance of multivariate normal tissue complication probability (NTCP) models. In this study, three learning methods, stepwise selection, least absolute shrinkage and selection operator (LASSO), and Bayesian model averaging (BMA), were used to build NTCP models of xerostomia following radiotherapy treatment for head and neck cancer. Performance of each learning method was evaluated by a repeated cross-validation scheme in order to obtain a fair comparison among methods. It was found that the LASSO and BMA methods produced models with significantly better predictive power than that of the stepwise selection method. Furthermore, the LASSO method yields an easily interpretable model as the stepwise method does, in contrast to the less intuitive BMA method. The commonly used stepwise selection method, which is simple to execute, may be insufficient for NTCP modeling. The LASSO method is recommended. Copyright © 2012 Elsevier Inc. All rights reserved.

Measurement of Nanomolar Dissociation Constants by Titration Calorimetry and Thermal Shift Assay – Radicicol Binding to Hsp90 and Ethoxzolamide Binding to CAII

PubMed Central

Zubrienė, Asta; Matulienė, Jurgita; Baranauskienė, Lina; Jachno, Jelena; Torresan, Jolanta; Michailovienė, Vilma; Cimmperman, Piotras; Matulis, Daumantas

2009-01-01

The analysis of tight protein-ligand binding reactions by isothermal titration calorimetry (ITC) and thermal shift assay (TSA) is presented. The binding of radicicol to the N-terminal domain of human heat shock protein 90 (Hsp90αN) and the binding of ethoxzolamide to human carbonic anhydrase (hCAII) were too strong to be measured accurately by direct ITC titration and therefore were measured by displacement ITC and by observing the temperature-denaturation transitions of ligand-free and ligand-bound protein. Stabilization of both proteins by their ligands was profound, increasing the melting temperature by more than 10 ºC, depending on ligand concentration. Analysis of the melting temperature dependence on the protein and ligand concentrations yielded dissociation constants equal to 1 nM and 2 nM for Hsp90αN-radicicol and hCAII-ethoxzolamide, respectively. The ligand-free and ligand-bound protein fractions melt separately, and two melting transitions are observed. This phenomenon is especially pronounced when the ligand concentration is equal to about half the protein concentration. The analysis compares ITC and TSA data, accounts for two transitions and yields the ligand binding constant and the parameters of protein stability, including the Gibbs free energy and the enthalpy of unfolding. PMID:19582223

REE speciation in low-temperature acidic waters and the competitive effects of aluminum

USGS Publications Warehouse

Gimeno, Serrano M.J.; Auque, Sanz L.F.; Nordstrom, D. Kirk

2000-01-01

The effect of simultaneous competitive speciation of dissolved rare earth elements (REEs) in acidic waters (pH 3.3 to 5.2) has been evaluated by applying the PHREEQE code to the speciation of water analyses from Spain, Brazil, USA, and Canada. The main ions that might affect REE are Al3+, F-, SO42-, and PO43-. Fluoride, normally a significant complexer of REEs, is strongly associated with Al3+ in acid waters and consequently has little influence on REEs. The inclusion of aluminum concentrations in speciation calculations for acidic waters is essential for reliable speciation of REEs. Phosphate concentrations are too low (10-4 to 10-7 m) to affect REE speciation. Consequently, SO42- is the only important complexing ligand for REEs under these conditions. According to Millero [Millero, F.J., 1992. Stability constants for the formation of rare earth inorganic complexes as a function of ionic strength. Geochim. Cosmochim. Acta, 56, 3123-3132], the lanthanide sulfate stability constants are nearly constant with increasing atomic number so that no REE fractionation would be anticipated from aqueous complexation in acidic waters. Hence, REE enrichments or depletions must arise from mass transfer reactions. (C) 2000 Elsevier Science B.V. All rights reserved.

Interaction of zanamivir with DNA and RNA: Models for drug DNA and drug RNA bindings

NASA Astrophysics Data System (ADS)

Nafisi, Shohreh; Kahangi, Fatemeh Ghoreyshi; Azizi, Ebrahim; Zebarjad, Nader; Tajmir-Riahi, Heidar-Ali

2007-03-01

Zanamivir (ZAN) is the first of a new generation of influenza virus-specific drugs known as neuraminidase inhibitors, which acts by interfering with life cycles of influenza viruses A and B. It prevents the virus spreading infection to other cells by blocking the neuraminidase enzyme present on the surface of the virus. The aim of this study was to examine the stability and structural features of calf thymus DNA and yeast RNA complexes with zanamivir in aqueous solution, using constant DNA or RNA concentration (12.5 mM) and various zanamivir/polynucleotide ( P) ratios of 1/20, 1/10, 1/4, and 1/2. FTIR and UV-visible spectroscopy are used to determine the drug external binding modes, the binding constant and the stability of zanamivir-DNA and RNA complexes in aqueous solution. Structural analysis showed major interaction of zanamivir with G-C (major groove) and A-T (minor groove) base pairs and minor perturbations of the backbone PO 2 group with overall binding constants of Kzanamivir-DNA = 1.30 × 10 4 M -1 and Kzanamivir-RNA = 1.38 × 10 4 M -1. The drug interaction induces a partial B to A-DNA transition, while RNA remains in A-conformation.

Reconceptualizing Learning as a Dynamical System.

ERIC Educational Resources Information Center

Ennis, Catherine D.

1992-01-01

Dynamical systems theory can increase our understanding of the constantly evolving learning process. Current research using experimental and interpretive paradigms focuses on describing the attractors and constraints stabilizing the educational process. Dynamical systems theory focuses attention on critical junctures in the learning process as…

Bang-Bang Practical Stabilization of Rigid Bodies

NASA Astrophysics Data System (ADS)

Serpelloni, Edoardo

In this thesis, we study the problem of designing a practical stabilizer for a rigid body equipped with a set of actuators generating only constant thrust. Our motivation stems from the fact that modern space missions are required to accurately control the position and orientation of spacecraft actuated by constant-thrust jet-thrusters. To comply with the performance limitations of modern thrusters, we design a feedback controller that does not induce high-frequency switching of the actuators. The proposed controller is hybrid and it asymptotically stabilizes an arbitrarily small compact neighborhood of the target position and orientation of the rigid body. The controller is characterized by a hierarchical structure comprising of two control layers. At the low level of the hierarchy, an attitude controller stabilizes the target orientation of the rigid body. At the high level, after the attitude controller has steered the rigid body sufficiently close to its desired orientation, a position controller stabilizes the desired position. The size of the neighborhood being stabilized by the controller can be adjusted via a proper selection of the controller parameters. This allows us to stabilize the rigid body to virtually any degree of accuracy. It is shown that the controller, even in the presence of measurement noise, does not induce high-frequency switching of the actuators. The key component in the design of the controller is a hybrid stabilizer for the origin of double-integrators affected by bounded external perturbations. Specifically, both the position and the attitude stabilizers consist of multiple copies of such a double-integrator controller. The proposed controller is applied to two realistic spacecraft control problems. First, we apply the position controller to the problem of stabilizing the relative position between two spacecraft flying in formation in the vicinity of the L2 libration point of the Sun-Earth system as a part of a large space telescope. The proposed position controller represents the first feedback strategy to guarantee the accuracy level required by this class of space missions using real-life electric thrusters. The final controller is applied to the control of a large space vehicle performing rendezvous and docking operations with the International Space Station. It is shown that the controller guarantees a safe docking even under the effects of biases in the placement of the on-board thrusters.

Preparation and characterization of Polyacrylonitrile/ Manganese Dioxides- based Carbon Nanofibers via electrospinning process

NASA Astrophysics Data System (ADS)

Che Othman, F. E.; Yusof, N.; Jaafar, J.; Ismail, A. F.; Hasbullah, H.; Abdullah, N.; Ismail, M. S.

2016-06-01

This research reports the production of precursor polyacrylonitrile (PAN)/ manganese dioxide (MnO2) nanofibers (NFs) via electrospinning method followed by stabilization and carbonization processes. Nowadays, electrospinning has become a suitable method in manufacturing continuous NFs, thus it is employed to fabricate NFs in this study. The microstructural properties and adsorption competencies of the produced NFs were also studied. The NFs were prepared by electrospinning the polymer solution of Polyacrylonitrile (PAN) and Manganese Dioxide (MnO2) in, N, N-Dimethylformamide (DMF) solvent. The factors considered in this study were various polymer PAN/MnO2 concentrations which will significantly affect the specific surface area, fiber morphology and the diameter of the NFs prepared. Subsequently, heat treatment is applied by setting up the stabilization temperature at 275 °C and carbonization temperature at 800 °C with constant dwelling time (30 min). Nitrogen gas at constant rate 0.2 L/min was used for stabilization and carbonization with the stabilization rate (2 °C/min) and carbonization rate (5 °C/min). The carbon nanofibers (CNFs) produced were characterized using Scanning Electron Microscopy (SEM), Brunauer Emmett and Teller (BET) surface area and Fourier Transmission Infrared Spectroscopy (FTIR). It was found that the PAN/MnO2 CNFs were successfully produced with the carbonization temperature of 800 °C. The prepared PAN/MnO2 CNFs prepared showed an enhanced in specific surface area about two times compared to it precursor NFs.

MULGRES: a computer program for stepwise multiple regression analysis

Treesearch

A. Jeff Martin

1971-01-01

MULGRES is a computer program source deck that is designed for multiple regression analysis employing the technique of stepwise deletion in the search for most significant variables. The features of the program, along with inputs and outputs, are briefly described, with a note on machine compatibility.

Monitoring System and Temperature Controlling on PID Based Poultry Hatching Incubator

NASA Astrophysics Data System (ADS)

Shafiudin, S.; Kholis, N.

2018-04-01

Poultry hatching cultivation is essential to be observed in terms of temperature stability by using artificial penetration incubator which applies On/Off control. The On/Off control produces relatively long response time to reach steady-state conditions. Moreover, how the system works makes the component worn out because the lamp is on-off periodically. Besides, the cultivation in the market is less suitable to be used in an environment which has fluctuating temperature because it may influence plant’s temperature stability. The study aims to design automatic poultry hatching cultivation that can repair the temperature’s response of plant incubator to keep stable and in line with the intended set-point temperature value by using PID controller. The method used in PID controlling is designed to identify plant using ARX (Auto Regressive eXogenous) MATLAB which is dynamic/non-linear to obtain mathematical model and PID constants value that is appropriate to system. The hardware design for PID-based egg incubator uses Arduino Uno R3, as the main controller that includes PID source, and PWM, to keep plant temperature stability, which is integrated with incandescent light actuators and sensors where DHTI 1 sensor as the reader as temperature condition and plant humidity. The result of the study showed that PID constants value of each plant is different. For parallel 15 Watt plant, Kp = 3.9956, Ki = 0.361, Kd = 0, while for parallel 25 Watt plant, the value of Kp = 5.714, Ki = 0.351, Kd = 0. The PID constants value were capable to produce stable system response which is based on set-point with steady state error’s value is around 5%, that is 2.7%. With hatching percentage of 70-80%, the hatching process is successful in air-conditioned environment (changeable).

Binding of Cu(II) ions to peptides studied by fluorescence spectroscopy and isothermal titration calorimetry.

PubMed

Makowska, Joanna; Żamojć, Krzysztof; Wyrzykowski, Dariusz; Uber, Dorota; Wierzbicka, Małgorzata; Wiczk, Wiesław; Chmurzyński, Lech

2016-01-15

Steady-state and time-resolved fluorescence quenching measurements supported by Isothermal Titration Calorimetry (ITC) were used to study the interactions of Cu(2+) with four peptides. Two of them were taken from the N-terminal part of the FBP28 protein (formin binding protein) WW domain: Tyr-Lys-Thr-Ala-Asp-Gly-Lys-Thr-Tyr-NH2 (D9) and its mutant Tyr-Lys-Thr-Ala-Asn-Gly-Lys-Thr-Tyr-NH2 (D9_M) as well as two mutated peptides from the B3 domain of the immunoglobulin binding protein G derived from Streptococcus: Asp-Val-Ala-Thr-Tyr-Thr-NH2 (J1) and Glu-Val-Ala-Thr-Tyr-Thr-NH2 (J2). The measurements were carried out at 298.15K in 20mM 2-(N-morpholino)ethanesulfonic acid (MES) buffer solution with a pH of 6. The fluorescence of all peptides was quenched by Cu(2+) ions. The stoichiometry, conditional stability constants and thermodynamic parameters for the interactions of the Cu(2+) ions with D9 and D9_M were determined from the calorimetric data. The values of the conditional stability constants were additionally determined from fluorescence quenching measurements and compared with those obtained from calorimetric studies. There was a good correlation between data obtained from the two techniques. On the other hand, the studies revealed that J1 and J2 do not exhibit an affinity towards metal ions. The obtained results prove that fluorescence quenching experiments may be successfully used in order to determine stability constants of complexes with fluorescent ligands. Finally, based on the obtained results, the coordinating properties of the peptides towards the Cu(2+) ions are discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

Analysis of the phase solubility diagram of a phenacetin/competitor/beta-cyclodextrin ternary system, involving competitive inclusion complexation.

PubMed

Ono, N; Hirayama, F; Arima, H; Uekama, K

2001-01-01

The competitive inclusion complexations in the ternary phenacetin/competitors/beta-cyclodextrin (beta-CyD) systems were investigated by the solubility method, where m-bromobenzoic acid (m-BBA) and o-toluic acid (o-TA) were used as competitors. The solubility changes of the drug and competitors as a function of beta-CyD concentration in the ternary systems were formulated using their stability constants and intrinsic solubilities. The decrease in solubility of phenacetin by the addition of competitors could be quantitatively simulated by the formulation, when both drug and competitor give A(L) type solubility diagrams. On the other hand, when one of the guests gives a B(S) type solubility diagram, its solubility change was clearly reflected in that of the another guest, i.e., phenacetin gave an A(L) type solubility diagram in the binary phenacetin/beta-CyD system and o-TA gave a B(S) type diagram in the binary o-TA/beta-CyD system, but in the ternary phenacetin/o-TA/beta-CyD system, a new plateau region appeared in the original A(L) type diagram of phenacetin. This was explained by the solubilization theory of Higuchi and Connors. The solubility analysis of the ternary drug/competitor/CyD systems may be particularly useful for determination of the stability constant of a drug whose physicochemical and spectroscopic analyses are difficult, because they can be calculated by monitoring the solubility change of a competitor, without monitoring that of a drug. Furthermore, the present results suggest that attention should be paid to the type of the phase solubility diagram, as well as the magnitude of the stability constant and the solubility of the complex, for a rational formulation design of CyD complexes.

Binding of Cu(II) ions to peptides studied by fluorescence spectroscopy and isothermal titration calorimetry

NASA Astrophysics Data System (ADS)

Makowska, Joanna; Żamojć, Krzysztof; Wyrzykowski, Dariusz; Uber, Dorota; Wierzbicka, Małgorzata; Wiczk, Wiesław; Chmurzyński, Lech

2016-01-01

Steady-state and time-resolved fluorescence quenching measurements supported by Isothermal Titration Calorimetry (ITC) were used to study the interactions of Cu2 + with four peptides. Two of them were taken from the N-terminal part of the FBP28 protein (formin binding protein) WW domain: Tyr-Lys-Thr-Ala-Asp-Gly-Lys-Thr-Tyr-NH2 (D9) and its mutant Tyr-Lys-Thr-Ala-Asn-Gly-Lys-Thr-Tyr-NH2 (D9_M) as well as two mutated peptides from the B3 domain of the immunoglobulin binding protein G derived from Streptococcus: Asp-Val-Ala-Thr-Tyr-Thr-NH2 (J1) and Glu-Val-Ala-Thr-Tyr-Thr-NH2 (J2). The measurements were carried out at 298.15 K in 20 mM 2-(N-morpholino)ethanesulfonic acid (MES) buffer solution with a pH of 6. The fluorescence of all peptides was quenched by Cu2 + ions. The stoichiometry, conditional stability constants and thermodynamic parameters for the interactions of the Cu2 + ions with D9 and D9_M were determined from the calorimetric data. The values of the conditional stability constants were additionally determined from fluorescence quenching measurements and compared with those obtained from calorimetric studies. There was a good correlation between data obtained from the two techniques. On the other hand, the studies revealed that J1 and J2 do not exhibit an affinity towards metal ions. The obtained results prove that fluorescence quenching experiments may be successfully used in order to determine stability constants of complexes with fluorescent ligands. Finally, based on the obtained results, the coordinating properties of the peptides towards the Cu2 + ions are discussed.

Calculation of stability derivatives for slowly oscillating bodies of revolution at Mach 1.0

NASA Technical Reports Server (NTRS)

Ruo, S. Y.; Liu, D. D.

1971-01-01

A parabolic method for steady transonic flow is extended to bodies of revolution oscillating in a sonic flow field. A Laplace transform technique is employed to derive the dipole solution, and the Adams-Sears iterative technique is used in the stability derivative calculation. A computer program is developed to perform the stability derivative calculation for the slowly oscillating cone and parabolic ogive. Inputs for the program are body geometry thickness ratio, acceleration constant, and pitch axis location. Sample calculations were performed for the parabolic ogive and circular cone and results are compared with those obtained by using other techniques and the available experimental data for circular cones.

Very high repetition-rate electro-optical cavity-dumped Nd: YVO4 laser with optics and dynamics stabilities

NASA Astrophysics Data System (ADS)

Liu, Xuesong; Shi, Zhaohui; Huang, Yutao; Fan, Zhongwei; Yu, Jin; Zhang, Jing; Hou, Liqun

2015-02-01

In this paper, a very high repetition-rate, short-pulse, electro-optical cavity-dumped Nd: YVO4 laser is experimentally and theoretically investigated. The laser performance is optimized from two aspects. Firstly, the laser resonator is designed for a good thermal stability under large pump power fluctuation through optics methods. Secondly, dynamics simulation as well as experiments verifies that cavity dumping at very high repetition rate has better stability than medium/high repetition rate. At 30 W, 880 nm pump power, up to 500 kHz, constant 5 ns, stable 1064 nm fundamental-mode laser pulses can be obtained with 10 W average output power.

An algorithm for emulsion stability simulations: account of flocculation, coalescence, surfactant adsorption and the process of Ostwald ripening.

PubMed

Urbina-Villalba, German

2009-03-01

The first algorithm for Emulsion Stability Simulations (ESS) was presented at the V Conferencia Iberoamericana sobre Equilibrio de Fases y Diseño de Procesos [Luis, J.; García-Sucre, M.; Urbina-Villalba, G. Brownian Dynamics Simulation of Emulsion Stability In: Equifase 99. Libro de Actas, 1(st) Ed., Tojo J., Arce, A., Eds.; Solucion's: Vigo, Spain, 1999; Volume 2, pp. 364-369]. The former version of the program consisted on a minor modification of the Brownian Dynamics algorithm to account for the coalescence of drops. The present version of the program contains elaborate routines for time-dependent surfactant adsorption, average diffusion constants, and Ostwald ripening.

[Studies of local anaesthetics: part 205* studies of stability of heptacainium chloride and carbisocainium chloride using an accelerated non-isothermal test].

PubMed

Stankovičová, Mária; Lašáková, Andrea; Medlenová, Veronika; Bezáková, Zelmíra; Cižmárik, Jozef

2014-08-01

The paper studies the kinetics of alkaline hydrolysis and stability under non-isothermal conditions of heptacainium chloride and carbisocainium chloride in the medium of aqueous-ethanolic solution of sodium hydroxide c = 0.1 mol/l and buffer solutions of values of pH 7.0 and pH 8.0. The results of the study of the kinetics of hydrolysis by means of a non-isothermal test - rate constants and activation energy values served as the basis for exact evaluation of the stability of these potential pharmaceuticals. The objective of the paper links up with the previous studies of these substances.

Stability of a viscous fluid in a rectangular cavity in the presence of a magnetic field

NASA Technical Reports Server (NTRS)

Liang, C. Y.; Hung, Y. Y.

1976-01-01

The stability of an electrically conducting fluid subjected to two dimensional disturbance was investigated. A physical system consisting of two parallel infinite vertical plates which are thermally insulated was studied. An external magnetic field of constant strength was applied to normal plates. The fluid was heated from below so that a steady temperature gradient was maintained in the fluid. The governing equations were derived by perturbation technique, and solutions were obtained by a modified Galerkin method. It was found that the presence of the magnetic field increases the stability of the physical system and instability can occur in the form of neutral or oscillatory instability.

Free metal ion depletion by "Good's" buffers. III. N-(2-acetamido)iminodiacetic acid, 2:1 complexes with zinc(II), cobalt(II), nickel(II), and copper(II); amide deprotonation by Zn(II), Co(II), and Cu(II).

PubMed

Lance, E A; Rhodes, C W; Nakon, R

1983-09-01

Potentiometric, visible, infrared, electron spin, and nuclear magnetic resonance studies of the complexation of N-(2-acetamido)iminodiacetic acid (H2ADA) by Ca(II), Mg(II), Mn(II), Zn(II), Co(II), Ni(II), and Cu(II) are reported. Ca(II) and Mg(II) were found not to form 2:1 ADA2- to M(II) complexes, while Mn(II), Cu(II), Ni(II), Zn(II), and Co(II) did form 2:1 metal chelates at or below physiological pH values. Co(II) and Zn(II), but not Cu(II), were found to induce stepwise deprotonation of the amide groups to form [M(H-1ADA)4-(2)]. Formation (affinity) constants for the various metal complexes are reported, and the probable structures of the various metal chelates in solution are discussed on the basis of various spectral data.

Synthetic water soluble di-/tritopic molecular receptors exhibiting Ca2+/Mg2+ exchange.

PubMed

Lavie-Cambot, Aurélie; Tron, Arnaud; Ducrot, Aurélien; Castet, Frédéric; Kauffmann, Brice; Beauté, Louis; Allouchi, Hassan; Pozzo, Jean-Luc; Bonnet, Célia S; McClenaghan, Nathan D

2017-05-23

Structural integration of two synthetic water soluble receptors for Ca 2+ and Mg 2+ , namely 1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid (BAPTA) and o-aminophenol-N,N,O-triacetic acid (APTRA), respectively, gave novel di- and tritopic ionophores (1 and 2). As Mg 2+ and Ca 2+ cannot be simultaneously complexed by the receptors, allosteric control of complexation results. Potentiometric measurements established stepwise protonation constants and showed high affinity for Ca 2+ (log K = 6.08 and 8.70 for 1 and 2, respectively) and an excellent selectivity over Mg 2+ (log K = 3.70 and 5.60 for 1 and 2, respectively), which is compatible with magnesium-calcium ion exchange. While ion-exchange of a single Mg 2+ for a single Ca 2+ is possible in both 1 and 2, the simultaneous binding of two Mg 2+ by 2 appears prohibitive for replacement of these two ions by a single Ca 2+ . Ion-binding and exchange was further rationalized by DFT calculations.

Co-digestion of solid waste: Towards a simple model to predict methane production.

PubMed

Kouas, Mokhles; Torrijos, Michel; Schmitz, Sabine; Sousbie, Philippe; Sayadi, Sami; Harmand, Jérôme

2018-04-01

Modeling methane production is a key issue for solid waste co-digestion. Here, the effect of a step-wise increase in the organic loading rate (OLR) on reactor performance was investigated, and four new models were evaluated to predict methane yields using data acquired in batch mode. Four co-digestion experiments of mixtures of 2 solid substrates were conducted in semi-continuous mode. Experimental methane yields were always higher than the BMP values of mixtures calculated from the BMP of each substrate, highlighting the importance of endogenous production (methane produced from auto-degradation of microbial community and generated solids). The experimental methane productions under increasing OLRs corresponded well to the modeled data using the model with constant endogenous production and kinetics identified at 80% from total batch time. This model provides a simple and useful tool for technical design consultancies and plant operators to optimize the co-digestion and the choice of the OLRs. Copyright © 2018 Elsevier Ltd. All rights reserved.

Hydrogen bonding effects on the reorganization energy for photoinduced charge separation reaction between porphyrin and quinone studied by nanosecond laser flash photolysis.

PubMed

Yago, Tomoaki; Gohdo, Masao; Wakasa, Masanobu

2010-02-25

Alcohol concentration dependences of photoinduced charge separation (CS) reaction of zinc tetraphenyl-porphyrin (ZnTPP) and duroquinone (DQ) were investigated in benzonitrile by a nanosecond laser flash photolysis technique. The photoinduced CS reaction was accelerated by the addition of alcohols, whereas the addition of acetonitrile caused little effect on the CS reactions. The simple theory was developed to calculate an increase in reorganization energies induced by the hydrogen bonding interactions between DQ and alcohols using the chemical equilibrium constants for the hydrogen bonding complexes through the concerted pathway and the stepwise one. The experimental results were analyzed by using the Marcus equation where we took into account the hydrogen bonding effects on the reorganization energy and the reaction free energy for the CS reaction. The observed alcohol concentration dependence of the CS reaction rates was well explained by the formation of the hydrogen bonding complexes through the concerted pathway, demonstrating the increase in the reorganization energy by the hydrogen bonding interactions.

Dynamic modeling of reversible methanolysis of Jatropha curcas oil to biodiesel.

PubMed

Syam, Azhari M; Hamid, Hamidah A; Yunus, Robiah; Rashid, Umer

2013-01-01

Many kinetics studies on methanolysis assumed the reactions to be irreversible. The aim of the present work was to study the dynamic modeling of reversible methanolysis of Jatropha curcas oil (JCO) to biodiesel. The experimental data were collected under the optimal reaction conditions: molar ratio of methanol to JCO at 6 : 1, reaction temperature of 60°C, 60 min of reaction time, and 1% w/w of catalyst concentration. The dynamic modeling involved the derivation of differential equations for rates of three stepwise reactions. The simulation study was then performed on the resulting equations using MATLAB. The newly developed reversible models were fitted with various rate constants and compared with the experimental data for fitting purposes. In addition, analysis of variance was done statistically to evaluate the adequacy and quality of model parameters. The kinetics study revealed that the reverse reactions were significantly slower than forward reactions. The activation energies ranged from 6.5 to 44.4 KJ mol⁻¹.

Dynamic Modeling of Reversible Methanolysis of Jatropha curcas Oil to Biodiesel

PubMed Central

Syam, Azhari M.; Hamid, Hamidah A.; Yunus, Robiah; Rashid, Umer

2013-01-01

Many kinetics studies on methanolysis assumed the reactions to be irreversible. The aim of the present work was to study the dynamic modeling of reversible methanolysis of Jatropha curcas oil (JCO) to biodiesel. The experimental data were collected under the optimal reaction conditions: molar ratio of methanol to JCO at 6 : 1, reaction temperature of 60°C, 60 min of reaction time, and 1% w/w of catalyst concentration. The dynamic modeling involved the derivation of differential equations for rates of three stepwise reactions. The simulation study was then performed on the resulting equations using MATLAB. The newly developed reversible models were fitted with various rate constants and compared with the experimental data for fitting purposes. In addition, analysis of variance was done statistically to evaluate the adequacy and quality of model parameters. The kinetics study revealed that the reverse reactions were significantly slower than forward reactions. The activation energies ranged from 6.5 to 44.4 KJ mol−1. PMID:24363616

Multiphoton-gated cycloreversion reaction of a fluorescent diarylethene derivative as revealed by transient absorption spectroscopy.

PubMed

Nagasaka, Tatsuhiro; Kunishi, Tomohiro; Sotome, Hikaru; Koga, Masafumi; Morimoto, Masakazu; Irie, Masahiro; Miyasaka, Hiroshi

2018-06-07

The one- and two-photon cycloreversion reactions of a fluorescent diarylethene derivative with oxidized benzothiophene moieties were investigated by means of ultrafast laser spectroscopy. Femtosecond transient absorption spectroscopy under the one-photon excitation condition revealed that the excited closed-ring isomer is simply deactivated into the initial ground state with a time constant of 2.6 ns without remarkable cycloreversion, the results of which are consistent with the very low cycloreversion reaction yield (<10-5) under steady-state light irradiation. On the other hand, an efficient cycloreversion reaction was observed under irradiation with a picosecond laser pulse at 532 nm. The excitation intensity dependence of the cycloreversion reaction indicates that a highly excited state attained by the stepwise two-photon absorption is responsible for the marked increase of the cycloreversion reaction, and the quantum yield at the highly excited state was estimated to be 0.018 from quantitative analysis, indicating that the reaction is enhanced by a factor of >1800.

Three-dimensional Fourier-domain optical coherence tomography of alveolar mechanics in stepwise inflated and deflated isolated and perfused rabbit lungs

NASA Astrophysics Data System (ADS)

Krueger, Alexander; Knels, Lilla; Meissner, Sven; Wendel, Martina; Heller, Axel R.; Lambeck, Thomas; Koch, Thea; Koch, Edmund

2007-07-01

Fourier domain optical coherence tomography (FD-OCT) was used to acquire three-dimensional image stacks of isolated and perfused rabbit lungs (n = 4) at different constant pulmonary airway pressures (CPAP) and during vascular fixation. After despeckling and applying a threshold, the images were segmented into air and tissue, and registered to each other to compensate for movement between CPAP steps. The air-filled cross-sectional areas were quantified using a semi-automatic algorithm. The cross-sectional area of alveolar structures taken at all three perpendicular planes increased with increasing CPAP. Between the minimal CPAP of 3 mbar and the maximum of 25 mbar the areas increased to about 140% of their initial value. There was no systematic dependency of inflation rate on initial size of the alveolar structure. During the perfusion fixation of the lungs with glutaraldehyde morphometric changes of the alveolar geometry measured with FD-OCT were negligible.

Finite cohesion due to chain entanglement in polymer melts.

PubMed

Cheng, Shiwang; Lu, Yuyuan; Liu, Gengxin; Wang, Shi-Qing

2016-04-14

Three different types of experiments, quiescent stress relaxation, delayed rate-switching during stress relaxation, and elastic recovery after step strain, are carried out in this work to elucidate the existence of a finite cohesion barrier against free chain retraction in entangled polymers. Our experiments show that there is little hastened stress relaxation from step-wise shear up to γ = 0.7 and step-wise extension up to the stretching ratio λ = 1.5 at any time before or after the Rouse time. In contrast, a noticeable stress drop stemming from the built-in barrier-free chain retraction is predicted using the GLaMM model. In other words, the experiment reveals a threshold magnitude of step-wise deformation below which the stress relaxation follows identical dynamics whereas the GLaMM or Doi-Edwards model indicates a monotonic acceleration of the stress relaxation dynamics as a function of the magnitude of the step-wise deformation. Furthermore, a sudden application of startup extension during different stages of stress relaxation after a step-wise extension, i.e. the delayed rate-switching experiment, shows that the geometric condensation of entanglement strands in the cross-sectional area survives beyond the reptation time τd that is over 100 times the Rouse time τR. Our results point to the existence of a cohesion barrier that can prevent free chain retraction upon moderate deformation in well-entangled polymer melts.

Nanoparticle engineering of colloidal suspension behavior

NASA Astrophysics Data System (ADS)

Chan, Angel Thanda

We investigate the effects of highly charged nanoparticles on the phase behavior, structure, and assembly of colloidal microsphere suspensions. Specifically, by selectively tuning the electrostatic interactions between silica microspheres and polystyrene nanoparticles, we study the behavior of four key systems: (i) strongly repulsive, (ii) haloing, (iii) weakly attractive, and (iv) strongly attractive systems. In each system, a combination of nanoparticle adsorption, zeta potential, and confocal microscopy measurements are carried out to systematically study the effects of nanoparticle volume fraction, microsphere/nanoparticle size ratios, and interparticle interactions on their behavior. Our observations indicate that minimal adsorption of highly charged nanoparticles occurs on like-charged and negligibly-charged microspheres, whereas their extent of association increases dramatically with increasing microsphere-nanoparticle attraction. A rich phase behavior emerges in these systems based on whether the nanoparticle species serve as depletants, haloing, or bridging species. The phase transitions in the haloing system occur at constant nanoparticle volume fractions, φnano, over a broad range of microsphere volume fractions, φmicro . By contrast, the observed transitions in the weakly and strongly attractive mixtures occur at a constant number ratio of nanoparticles per microsphere, Nnano/Nmicro. Important structural differences emerge, which can be exploited in the assembly of colloidal gels for direct ink writing and colloidal crystals on epitaxially patterned substrates. Finally, for the first time, we explore nanoparticle haloing as a new route for stabilizing hydrophobic colloidal drugs in aqueous suspensions media for preparation of injectable pharmaceuticals. These microsphere suspensions exhibit improved stability relative to their surfactant-stabilized counterparts after autoclaving, a critical processing step for this target applications. This research opens up a new avenue for stabilization of hydrophobic particles, when surfactant additions alone do not provide sufficient stabilization.

Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli

PubMed Central

Pilipczuk, Justyna; Zalewska-Piątek, Beata; Bruździak, Piotr; Czub, Jacek; Wieczór, Miłosz; Olszewski, Marcin; Wanarska, Marta; Nowicki, Bogdan; Augustin-Nowacka, Danuta; Piątek, Rafał

2017-01-01

Dr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond that joins their A and B strands. Here, we investigated how this disulfide bond affects the stability and folding/unfolding pathway of DraE. We found that the disulfide bond stabilizes self-complemented DraE (DraE-sc) by ∼50 kJ mol−1 in an exclusively thermodynamic manner, i.e. by lowering the free energy of the native state and with almost no effect on the free energy of the transition state. This finding was confirmed by experimentally determined folding and unfolding rate constants of DraE-sc and a disulfide bond-lacking DraE-sc variant. Although the folding of both proteins exhibited similar kinetics, the unfolding rate constant changed upon deletion of the disulfide bond by 10 orders of magnitude, from ∼10−17 s−1 to 10−7 s−1. Molecular simulations revealed that unfolding of the disulfide bond-lacking variant is initiated by strands A or G and that disulfide bond-mediated joining of strand A to the core strand B cooperatively stabilizes the whole protein. We also show that the disulfide bond in DraE is recognized by the DraB chaperone, indicating a mechanism that precludes the incorporation of less stable, non-oxidized DraE forms into the fimbriae. PMID:28739804

Electrochemical Catalyst-Support Effects and Their Stabilizing Role for IrOx Nanoparticle Catalysts during the Oxygen Evolution Reaction.

PubMed

Oh, Hyung-Suk; Nong, Hong Nhan; Reier, Tobias; Bergmann, Arno; Gliech, Manuel; Ferreira de Araújo, Jorge; Willinger, Elena; Schlögl, Robert; Teschner, Detre; Strasser, Peter

2016-09-28

Redox-active support materials can help reduce the noble-metal loading of a solid chemical catalyst while offering electronic catalyst-support interactions beneficial for catalyst durability. This is well known in heterogeneous gas-phase catalysis but much less discussed for electrocatalysis at electrified liquid-solid interfaces. Here, we demonstrate experimental evidence for electronic catalyst-support interactions in electrochemical environments and study their role and contribution to the corrosion stability of catalyst/support couples. Electrochemically oxidized Ir oxide nanoparticles, supported on high surface area carbons and oxides, were selected as model catalyst/support systems for the electrocatalytic oxygen evolution reaction (OER). First, the electronic, chemical, and structural state of the catalyst/support couple was compared using XANES, EXAFS, TEM, and depth-resolved XPS. While carbon-supported oxidized Ir particle showed exclusively the redox state (+4), the Ir/IrOx/ATO system exhibited evidence of metal/metal-oxide support interactions (MMOSI) that stabilized the metal particles on antimony-doped tin oxide (ATO) in sustained lower Ir oxidation states (Ir(3.2+)). At the same time, the growth of higher valent Ir oxide layers that compromise catalyst stability was suppressed. Then the electrochemical stability and the charge-transfer kinetics of the electrocatalysts were evaluated under constant current and constant potential conditions, where the analysis of the metal dissolution confirmed that the ATO support mitigates Ir(z+) dissolution thanks to a stronger MMOSI effect. Our findings raise the possibility that MMOSI effects in electrochemistry-largely neglected in the past-may be more important for a detailed understanding of the durability of oxide-supported nanoparticle OER catalysts than previously thought.

Stabilization of nonlinear systems using sampled-data output-feedback fuzzy controller based on polynomial-fuzzy-model-based control approach.

PubMed

Lam, H K

2012-02-01

This paper investigates the stability of sampled-data output-feedback (SDOF) polynomial-fuzzy-model-based control systems. Representing the nonlinear plant using a polynomial fuzzy model, an SDOF fuzzy controller is proposed to perform the control process using the system output information. As only the system output is available for feedback compensation, it is more challenging for the controller design and system analysis compared to the full-state-feedback case. Furthermore, because of the sampling activity, the control signal is kept constant by the zero-order hold during the sampling period, which complicates the system dynamics and makes the stability analysis more difficult. In this paper, two cases of SDOF fuzzy controllers, which either share the same number of fuzzy rules or not, are considered. The system stability is investigated based on the Lyapunov stability theory using the sum-of-squares (SOS) approach. SOS-based stability conditions are obtained to guarantee the system stability and synthesize the SDOF fuzzy controller. Simulation examples are given to demonstrate the merits of the proposed SDOF fuzzy control approach.

Constant-current control method of multi-function electromagnetic transmitter.

PubMed

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

Constant-current control method of multi-function electromagnetic transmitter

NASA Astrophysics Data System (ADS)

Xue, Kaichang; Zhou, Fengdao; Wang, Shuang; Lin, Jun

2015-02-01

Based on the requirements of controlled source audio-frequency magnetotelluric, DC resistivity, and induced polarization, a constant-current control method is proposed. Using the required current waveforms in prospecting as a standard, the causes of current waveform distortion and current waveform distortion's effects on prospecting are analyzed. A cascaded topology is adopted to achieve 40 kW constant-current transmitter. The responsive speed and precision are analyzed. According to the power circuit of the transmitting system, the circuit structure of the pulse width modulation (PWM) constant-current controller is designed. After establishing the power circuit model of the transmitting system and the PWM constant-current controller model, analyzing the influence of ripple current, and designing an open-loop transfer function according to the amplitude-frequency characteristic curves, the parameters of the PWM constant-current controller are determined. The open-loop transfer function indicates that the loop gain is no less than 28 dB below 160 Hz, which assures the responsive speed of the transmitting system; the phase margin is 45°, which assures the stabilization of the transmitting system. Experimental results verify that the proposed constant-current control method can keep the control error below 4% and can effectively suppress load change caused by the capacitance of earth load.

Different binding modes of Cu and Pb vs. Cd, Ni, and Zn with the trihydroxamate siderophore desferrioxamine B at seawater ionic strength

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

Schijf, Johan; Christenson, Emily A.; Potter, Kailee J.

2015-07-01

The solution speciation in seawater of divalent trace metals (Cd, Cu, Ni, Pb, Zn) is dominated by strong, ostensibly metal-specific organic ligands that may play important roles in microbial metal acquisition and/or detoxification processes. We compare the effective stabilities of these metal-organic complexes to the stabilities of their complexes with a model siderophore, desferrioxamine B (DFOB). While metal-DFOB complexation has been studied in various dilute but often moderately coordinating media, for the purpose of this investigation we measured the stability constants in a non-coordinating background electrolyte at seawater ionic strength (0.7 M NaClO4). Potentiometric titrations of single metals (M) weremore » performed in the presence of ligand (L) at different M:L molar ratios, whereupon the stability constants of multiple complexes were simultaneously determined by non-linear regression of the titration curves with FITEQL, using the optimal binding mode for each metal. Cadmium, Ni, and Zn, like trivalent Fe, sequentially form a bi-, tetra-, and hexadentate complex with DFOB as pH increases, consistent with their coordination number of 6 and regular octahedral geometry. Copper has a Jahn-Teller-distorted square-bipyramidal geometry whereas the geometry of Pb is cryptic, involving a range of bond lengths. Supported by a thermodynamic argument, our data suggest that this impedes binding of the third hydroxamate group and that the hexadentate Cu-DFOB and Pb-DFOB complex identified in earlier reports may instead be a deprotonated tetradentate complex. Absence of the hexadentate complex promotes the formation of a dinuclear (bidentate-tetradentate) complex, M2HL2+, albeit not for Pb in 0.7 M NaCl, evidently due to extensive complexation with chloride. Stabilities of the hexadentate Ni-DFOB, Zn-DFOB, and the tetradentate Pb-DFOB complex are nearly equal, yet about 2 orders of magnitude higher and 4 orders of magnitude lower than those of the hexadentate Cd-DFOB and tetradentate Cu-DFOB complex, respectively. Linear free-energy relations defined by the rare earth elements are able to predict stabilities of the Cd, Zn, and one of the Pb complexes, but underestimate those of the Ni and Cu complexes. The comparison with metal-specific organic ligands detected in seawater yields fair agreement for three of the five metals, implying that they could be siderophore-like. The Cd- and Ni-specific ligands are much stronger and may contain quite different functional groups. Calculations with MINEQL incorporating our new stability constants indicate that very high DFOB concentrations would be required to match the extent of metal-organic complexation observed in seawater, however DFOB may well represent a much broader class of structurally related ligands.« less

Experience, Reflect, Critique: The End of the "Learning Cycles" Era

ERIC Educational Resources Information Center

Seaman, Jayson

2008-01-01

According to prevailing models, experiential learning is by definition a stepwise process beginning with direct experience, followed by reflection, followed by learning. It has been argued, however, that stepwise models inadequately explain the holistic learning processes that are central to learning from experience, and that they lack scientific…

A Latent-Variable Causal Model of Faculty Reputational Ratings.

ERIC Educational Resources Information Center

King, Suzanne; Wolfle, Lee M.

A reanalysis was conducted of Saunier's research (1985) on sources of variation in the National Research Council (NRC) reputational ratings of university faculty. Saunier conducted a stepwise regression analysis using 12 predictor variables. Due to problems with multicollinearity and because of the atheoretical nature of stepwise regression,…

Testing Different Model Building Procedures Using Multiple Regression.

ERIC Educational Resources Information Center

Thayer, Jerome D.

The stepwise regression method of selecting predictors for computer assisted multiple regression analysis was compared with forward, backward, and best subsets regression, using 16 data sets. The results indicated the stepwise method was preferred because of its practical nature, when the models chosen by different selection methods were similar…

Structure and properties of barium tin boro-phosphate glass systems with very low photoelastic constant

NASA Astrophysics Data System (ADS)

Itadani, M.; Tricot, G.; Doumert, B.; Takebe, H.; Saitoh, A.

2017-08-01

Glasses in the BaO-SnO-P2O5-B2O3 system were prepared and evaluated in order to formulate preform glasses suitable for the fabrication of fiber cores with a very low photoelastic constant. A first glass system (I: xBaO-(60-x)SnO-40P2O5) was designed with a constant P2O5 content and various BaO contents (0-40 mol. %). Introduction of 3 mol. % of B2O3 to enhance the glass stability leads to the second glass system (II: x'BaO-(57-x')SnO-40P2O5-3B2O3) with 33-38 mol. % BaO. The structure of both systems was investigated by 1D/2D magic-angle spinning nuclear magnetic resonance, Raman, and Fourier transform infrared spectroscopic techniques. 31P NMR showed the presence of Q2 and Q1 units in the first system and correlation 11B/31P NMR indicated that boron enters into the network as B(OP)4 structural units. The photoelastic constant was determined and the stability of the best formulations as well as their refractive index dispersion was established. The drawing temperature and isothermal heating time (without crystal precipitation) parameters were also accurately measured by using experimental time-temperature-transition. Considering that the refractive indices of the core and the cladding materials must match, detailed core and cladding compositions for a fiber enabling single-mode waveguide transmission were proposed.

Studies on the storage stability of human blood cholinesterases : I.

DOT National Transportation Integrated Search

1970-01-01

Whole blood, red cell, and plasma preparations were stored at room temperature, refrigerated, and frozen. Samples were assayed over a 50-day period using the technique of constant-pH titration (pH-Stat). At least 90% of the cholinesterase activity in...

Rebalance to the Pacific: Resourcing the Strategy

DTIC Science & Technology

2013-03-01

concern is the geophysical stability of the ocean floor. Plate tectonics are shifting the sea floor daily, creating constant seismic activity. Known...countriesandterritories/northkorea/ index.html. 13 The Pacific Plate is unstable and always shifting, causing plates to slide underneath each other thus creating energy