Determination of Calcium in Dietary Supplements: Statistical Comparison of Methods in the Analytical Laboratory

ERIC Educational Resources Information Center

Garvey, Sarah L.; Shahmohammadi, Golbon; McLain, Derek R.; Dietz, Mark L.

2015-01-01

A laboratory experiment is described in which students compare two methods for the determination of the calcium content of commercial dietary supplement tablets. In a two-week sequence, the sample tablets are first analyzed via complexometric titration with ethylenediaminetetraacetic acid and then, following ion exchange of the calcium ion present…

Cometary ion dynamics observed in the close vicinity of comet 67P/Churyumov-Gerasimenko during the intermediate activity period

NASA Astrophysics Data System (ADS)

Berčič, L.; Behar, E.; Nilsson, H.; Nicolaou, G.; Wieser, G. Stenberg; Wieser, M.; Goetz, C.

2018-06-01

Aims: Cometary ions are constantly produced in the coma, and once produced they are accelerated and eventually escape the coma. We describe and interpret the dynamics of the cometary ion flow, of an intermediate active comet, very close to the nucleus and in the terminator plane. Methods: We analysed in situ ion and magnetic field measurements, and characterise the velocity distribution functions (mostly using plasma moments). We propose a statistical approach over a period of one month. Results: On average, two populations were observed, separated in phase space. The motion of the first is governed by its interaction with the solar wind farther upstream, while the second one is accelerated in the inner coma and displays characteristics compatible with an ambipolar electric field. Both populations display a consistent anti-sunward velocity component. Conclusions: Cometary ions born in different regions of the coma are seen close to the nucleus of comet 67P/Churyumov-Gerasimenko with distinct motions governed in one case by the solar wind electric field and in the other case by the position relative to the nucleus. A consistent anti-sunward component is observed for all cometary ions. An asymmetry is found in the average cometary ion density in a solar wind electric field reference frame, with higher density in the negative (south) electric field hemisphere. There is no corresponding signature in the average magnetic field strength.

Universal collisional activation ion trap mass spectrometry

DOEpatents

McLuckey, S.A.; Goeringer, D.E.; Glish, G.L.

1993-04-27

A universal collisional activation ion trap comprises an ion trapping means containing a bath gas and having connected thereto a noise signal generator. A method of operating a universal collisional activation ion trap comprises the steps of: providing an ion trapping means; introducing into the ion trapping means a bath gas; and, generating a noise signal within the ion trapping means; introducing into the ion trapping means a substance that, when acted upon by the noise signal, undergoes collisional activation to form product ions.

Universal collisional activation ion trap mass spectrometry

DOEpatents

McLuckey, Scott A.; Goeringer, Douglas E.; Glish, Gary L.

1993-01-01

A universal collisional activation ion trap comprises an ion trapping means containing a bath gas and having connected thereto a noise signal generator. A method of operating a universal collisional activation ion trap comprises the steps of: providing an ion trapping means; introducing into the ion trapping means a bath gas; and, generating a noise signal within the ion trapping means; introducing into the ion trapping means a substance that, when acted upon by the noise signal, undergoes collisional activation to form product ions.

In vitro fluoride release from a different kind of conventional and resin modified glass-ionomer cements.

PubMed

Selimović-Dragaš, Mediha; Hasić-Branković, Lajla; Korać, Fehim; Đapo, Nermin; Huseinbegović, Amina; Kobašlija, Sedin; Lekić, Meliha; Hatibović-Kofman, Šahza

2013-08-01

Fluoride release is important characteristic of glass-ionomer cements. Quantity of fluoride ions released from the glass-ionomer cements has major importance in definition of their biological activity. The objectives of this study were to define the quantity of fluoride ions released from the experimental glass-ionomer cements and to define the effect of fluoride ions released from the experimental glass-ionomer cements on their cytotoxicity. Concentrations of the fluoride ions released in the evaluated glass-ionomer cements were measured indirectly, by the fluoride-selective WTW, F500 electrode potential, combined with reference R503/D electrode. Statistical analyses of F-ion concentrations released by all glass-ionomers evaluated at two time points, after 8 and after 24 hours, show statistically higher fluoride releases from RMGICs: Vitrebond, Fuji II LC and Fuji Plus, when compared to conventional glass-ionomer cements: Fuji Triage, Fuji IX GP Fast and Ketac Silver, both after 8 and after 24 hours. Correlation coefficient between concentrations of fluoride ion released by evaluated glass-ionomer cements and cytotoxic response of UMR-106 osteoblast cell-line are relatively high, but do not reach levels of biological significance. Correlation between concentrations of fluoride ion released and cytotoxic response of NIH3T3 mouse fibroblast cell line after 8 hours is high, positive and statistically significant for conventional GICs, Fuji Triage and Fuji IX GP Fast, and RMGIC, Fuji II LC. Statistically significant Correlation coefficient between concentrations of fluoride ion released and cytotoxic response of NIH3T3 cell line after 24 hours is defined for RMGIC Fuji II LC only.

The effect of core and lanthanide ion dopants in sodium fluoride-based nanocrystals on phagocytic activity of human blood leukocytes

NASA Astrophysics Data System (ADS)

Sojka, Bartlomiej; Liskova, Aurelia; Kuricova, Miroslava; Banski, Mateusz; Misiewicz, Jan; Dusinska, Maria; Horvathova, Mira; Ilavska, Silvia; Szabova, Michaela; Rollerova, Eva; Podhorodecki, Artur; Tulinska, Jana

2017-02-01

Sodium fluoride-based β-NaLnF4 nanoparticles (NPs) doped with lanthanide ions are promising materials for application as luminescent markers in bio-imaging. In this work, the effect of NPs doped with yttrium (Y), gadolinium (Gd), europium (Eu), thulium (Tm), ytterbium (Yb) and terbium (Tb) ions on phagocytic activity of monocytes and granulocytes and the respiratory burst was examined. The surface functionalization of <10-nm NPs was performed according to our variation of patent pending ligand exchange method that resulted in meso-2,3-dimercaptosuccinic acid (DMSA) molecules on their surface. Y-core-based NCs were doped with Eu ions, which enabled them to be excited with UV light wavelengths. Cultures of human peripheral blood ( n = 8) were in vitro treated with five different concentrations of eight NPs for 24 h. In summary, neither type of nanoparticles is found toxic with respect to conducted test; however, some cause toxic effects (they have statistically significant deviations compared to reference) in some selected doses tested. Both core types of NPs (Y-core and Gd-core) impaired the phagocytic activity of monocytes the strongest, having minimal or none whatsoever influence on granulocytes and respiratory burst of phagocytic cells. The lowest toxicity was observed in Gd-core, Yb, Tm dopants and near-infrared nanoparticles. Clear dose-dependent effect of NPs on phagocytic activity of leukocytes and respiratory burst of cells was observed for limited number of samples.

Air ions and respiratory function outcomes: a comprehensive review

PubMed Central

2013-01-01

Background From a mechanistic or physical perspective there is no basis to suspect that electric charges on clusters of air molecules (air ions) would have beneficial or deleterious effects on respiratory function. Yet, there is a large lay and scientific literature spanning 80 years that asserts exposure to air ions affects the respiratory system and has other biological effects. Aims This review evaluates the scientific evidence in published human experimental studies regarding the effects of exposure to air ions on respiratory performance and symptoms. Methods We identified 23 studies (published 1933–1993) that met our inclusion criteria. Relevant data pertaining to study population characteristics, study design, experimental methods, statistical techniques, and study results were assessed. Where relevant, random effects meta-analysis models were utilized to quantify similar exposure and outcome groupings. Results The included studies examined the therapeutic benefits of exposure to negative air ions on respiratory outcomes, such as ventilatory function and asthmatic symptoms. Study specific sample sizes ranged between 7 and 23, and studies varied considerably by subject characteristics (e.g., infants with asthma, adults with emphysema), experimental method, outcomes measured (e.g., subjective symptoms, sensitivity, clinical pulmonary function), analytical design, and statistical reporting. Conclusions Despite numerous experimental and analytical differences across studies, the literature does not clearly support a beneficial role in exposure to negative air ions and respiratory function or asthmatic symptom alleviation. Further, collectively, the human experimental studies do not indicate a significant detrimental effect of exposure to positive air ions on respiratory measures. Exposure to negative or positive air ions does not appear to play an appreciable role in respiratory function. PMID:24016271

Spectral characteristics of plasma sheet ion and electron populations during undisturbed geomagnetic conditions

NASA Technical Reports Server (NTRS)

Christon, S. P.; Williams, D. J.; Mitchell, D. G.; Frank, L. A.; Huang, C. Y.

1989-01-01

The spectral characteristics of plasma-sheet ion and electron populations during periods of low geomagnetic activity were determined from the analysis of 127 one-hour average samples of central plasma sheet ions and electrons. Particle data from the ISEE-1 low-energy proton and electron differential energy analyzer and medium-energy particle instrument were combined to obtain differential energy spectra in the plasma sheet at geocentric radial distances above 12 earth radii. The relationships between the ion and electron spectral shapes and between the spectral shapes and the geomagnetic activity index were statistically investigated. It was found that the presence of interplanetary particle fluxes does not affect the plasma sheet particle spectral shape.

Novel 384-well population patch clamp electrophysiology assays for Ca2+-activated K+ channels.

PubMed

John, Victoria H; Dale, Tim J; Hollands, Emma C; Chen, Mao Xiang; Partington, Leanne; Downie, David L; Meadows, Helen J; Trezise, Derek J

2007-02-01

Planar array electrophysiology techniques were applied to assays for modulators of recombinant hIK and hSK3 Ca2+-activated K+ channels. In CHO-hIK-expressing cells, under asymmetric K+ gradients, small-molecule channel activators evoked time- and voltage-independent currents characteristic of those previously described by classical patch clamp electrophysiology methods. In single-hole (cell) experiments, the large cell-to-cell heterogeneity in channel expression rendered it difficult to generate activator concentration-response curves. However, in population patch clamp mode, in which signals are averaged from up to 64 cells, well-to-well variation was substantially reduced such that concentration-response curves could be easily constructed. The absolute EC50 values and rank order of potency for a range of activators, including 1-EBIO and DC-EBIO, corresponded well with conventional patch clamp data. Activator responses of hIK and hSK3 channels could be fully and specifically blocked by the selective inhibitors TRAM-34 and apamin, with IC50 values of 0.31 microM and 3 nM, respectively. To demonstrate assay precision and robustness, a test set of 704 compounds was screened in a 384-well format of the hIK assay. All plates had Z' values greater than 0.6, and the statistical cutoff for activity was 8%. Eleven hits (1.6%) were identified from this set, in addition to the randomly spiked wells with known activators. Overall, our findings demonstrate that population patch clamp is a powerful and enabling method for screening Ca2+-activated K+ channels and provides significant advantages over single-cell electrophysiology (IonWorks(HT)) and other previously published approaches. Moreover, this work demonstrates for the 1st time the utility of population patch clamp for ion channel activator assays and for non-voltage-gated ion channels.

In vitro fluoride release from a different kind of conventional and resin modified glass-ionomer cements

PubMed Central

Selimović-Dragaš, Mediha; Hasić-Branković, Lajla; Korać, Fehim; Đapo, Nermin; Huseinbegović, Amina; Kobašlija, Sedin; Lekić, Meliha; Hatibović-Kofman, Šahza

2013-01-01

Fluoride release is important characteristic of glass-ionomer cements. Quantity of fluoride ions released from the glass-ionomer cements has major importance in definition of their biological activity. The objectives of this study were to define the quantity of fluoride ions released from the experimental glass-ionomer cements and to define the effect of fluoride ions released from the experimental glass-ionomer cements on their cytotoxicity. Concentrations of the fluoride ions released in the evaluated glass-ionomer cements were measured indirectly, by the fluoride-selective WTW, F500 electrode potential, combined with reference R503/D electrode. Statistical analyses of F-ion concentrations released by all glass-ionomers evaluated at two time points, after 8 and after 24 hours, show statistically higher fluoride releases from RMGICs: Vitrebond, Fuji II LC and Fuji Plus, when compared to conventional glass-ionomer cements: Fuji Triage, Fuji IX GP Fast and Ketac Silver, both after 8 and after 24 hours. Correlation coefficient between concentrations of fluoride ion released by evaluated glass-ionomer cements and cytotoxic response of UMR-106 osteoblast cell-line are relatively high, but do not reach levels of biological significance. Correlation between concentrations of fluoride ion released and cytotoxic response of NIH3T3 mouse fibroblast cell line after 8 hours is high, positive and statistically significant for conventional GICs, Fuji Triage and Fuji IX GP Fast, and RMGIC, Fuji II LC. Statistically significant Correlation coefficient between concentrations of fluoride ion released and cytotoxic response of NIH3T3 cell line after 24 hours is defined for RMGIC Fuji II LC only. PMID:23988173

Empirical validation of statistical parametric mapping for group imaging of fast neural activity using electrical impedance tomography.

PubMed

Packham, B; Barnes, G; Dos Santos, G Sato; Aristovich, K; Gilad, O; Ghosh, A; Oh, T; Holder, D

2016-06-01

Electrical impedance tomography (EIT) allows for the reconstruction of internal conductivity from surface measurements. A change in conductivity occurs as ion channels open during neural activity, making EIT a potential tool for functional brain imaging. EIT images can have  >10 000 voxels, which means statistical analysis of such images presents a substantial multiple testing problem. One way to optimally correct for these issues and still maintain the flexibility of complicated experimental designs is to use random field theory. This parametric method estimates the distribution of peaks one would expect by chance in a smooth random field of a given size. Random field theory has been used in several other neuroimaging techniques but never validated for EIT images of fast neural activity, such validation can be achieved using non-parametric techniques. Both parametric and non-parametric techniques were used to analyze a set of 22 images collected from 8 rats. Significant group activations were detected using both techniques (corrected p  <  0.05). Both parametric and non-parametric analyses yielded similar results, although the latter was less conservative. These results demonstrate the first statistical analysis of such an image set and indicate that such an analysis is an approach for EIT images of neural activity.

Empirical validation of statistical parametric mapping for group imaging of fast neural activity using electrical impedance tomography

PubMed Central

Packham, B; Barnes, G; dos Santos, G Sato; Aristovich, K; Gilad, O; Ghosh, A; Oh, T; Holder, D

2016-01-01

Abstract Electrical impedance tomography (EIT) allows for the reconstruction of internal conductivity from surface measurements. A change in conductivity occurs as ion channels open during neural activity, making EIT a potential tool for functional brain imaging. EIT images can have  >10 000 voxels, which means statistical analysis of such images presents a substantial multiple testing problem. One way to optimally correct for these issues and still maintain the flexibility of complicated experimental designs is to use random field theory. This parametric method estimates the distribution of peaks one would expect by chance in a smooth random field of a given size. Random field theory has been used in several other neuroimaging techniques but never validated for EIT images of fast neural activity, such validation can be achieved using non-parametric techniques. Both parametric and non-parametric techniques were used to analyze a set of 22 images collected from 8 rats. Significant group activations were detected using both techniques (corrected p  <  0.05). Both parametric and non-parametric analyses yielded similar results, although the latter was less conservative. These results demonstrate the first statistical analysis of such an image set and indicate that such an analysis is an approach for EIT images of neural activity. PMID:27203477

AMPTE/CCE CHEM observations of the energetic ion population at geosynchronous altitudes

NASA Technical Reports Server (NTRS)

Daglis, Ioannis A.; Sarris, Emmanuel T.; Wilken, Berend

1993-01-01

The paper presents results of a statistical study of average characteristics of the energetic ion population at geosynchronous altitudes, using energetic-ion (1-300 keV/e) measurements from the CHEM spectrometer aboard the AMPTE Charge Composition Explorer between January 1985 and June 1987. Data were sorted into four MLT groups and two extreme geomagnetic activity levels ('very quiet' for AE less than 30 nT and 'very active' for AE greater than 700 nT). A clear quiet-time dayside feature found in the measurements was a dip in H(+) and He(2+) spectra, at 6.6 keV/e in the prenoon sector and at 3.5 keV/e in the postnoon sector. During active times, the ion fluxes increased (except for He(+)), and the O(+) contribution to the total energy density increased dramatically. The pitch angle distributions were normal during quiet times and isotropic or field-aligned during active times.

Statistical Study in the mid-altitude cusp region: wave and particle data comparison using a normalized cusp crossing duration

NASA Astrophysics Data System (ADS)

Grison, B.; Escoubet, C. P.; Pitout, F.; Cornilleau-Wehrlin, N.; Dandouras, I.; Lucek, E.

2009-04-01

In the mid altitude cusp region the DC magnetic field presents a diamagnetic cavity due to intense ion earthward flux coming from the magnetosheath. A strong ultra low frequency (ULF) magnetic activity is also commonly observed in this region. Most of the mid altitude cusp statistical studies have focused on the location of the cusp and its dependence and response to solar wind, interplanetary magnetic field, dipole tilt angle parameters. In our study we use the database build by Pitout et al. (2006) in order to study the link of wave power in the ULF range (0.35-10Hz) measured by STAFF SC instrument with the ion plasma properties as measured by CIS (and CODIF) instrument as well as the diamagnetic cavity in the mid-altitude cusp region with FGM data. To compare the different crossings we don`t use the cusp position and dynamics but we use a normalized cusp crossing duration that permits to easily average the properties over a large number of crossings. As usual in the cusp, it is particularly relevant to sort the crossings by the corresponding interplanetary magnetic field (IMF) orientation in order to analyse the results. In particular we try to find out what is the most relevant parameter to link the strong wave activity with. The global statistic confirms previous single case observations that have noticed a simultaneity between ion injections and wave activity enhancements. We will also present results concerning other ion parameters and the diamagnetic cavity observed in the mid altitude cusp region.

Evaluation of calcium ion, hydroxyl ion release and pH levels in various calcium hydroxide based intracanal medicaments: An in vitro study

PubMed Central

Fulzele, Punit; Baliga, Sudhindra; Thosar, Nilima; Pradhan, Debaprya

2011-01-01

Aims: Evaluation of calcium ion and hydroxyl ion release and pH levels in various calcium hydroxide based intracanal medicaments. Objective: The purpose of this study was to evaluate calcium and hydroxyl ion release and pH levels of calcium hydroxide based products, namely, RC Cal, Metapex, calcium hydroxide with distilled water, along with the new gutta-percha points with calcium hydroxide. Materials and Methods: The materials were inserted in polyethylene tubes and immersed in deionized water. The pH variation, Ca++ and OH- release were monitored periodically for 1 week. Statistical Analysis Used: Statistical analysis was carried out using one-way analysis of variance and Tukey's post hoc tests with PASW Statistics version 18 software to compare the statistical difference. Results: After 1 week, calcium hydroxide with distilled water and RC Cal raised the pH to 12.7 and 11.8, respectively, while a small change was observed for Metapex, calcium hydroxide gutta-percha points. The calcium released after 1 week was 15.36 mg/dL from RC Cal, followed by 13.04, 1.296, 3.064 mg/dL from calcium hydroxide with sterile water, Metapex and calcium hydroxide gutta-percha points, respectively. Conclusions: Calcium hydroxide with sterile water and RC Cal pastes liberate significantly more calcium and hydroxyl ions and raise the pH higher than Metapex and calcium hydroxidegutta-percha points. PMID:22346155

Statistical analysis of major ion and trace element geochemistry of water, 1986-2006, at seven wells transecting the freshwater/saline-water interface of the Edwards Aquifer, San Antonio, Texas

USGS Publications Warehouse

Mahler, Barbara J.

2008-01-01

The statistical analyses taken together indicate that the geochemistry at the freshwater-zone wells is more variable than that at the transition-zone wells. The geochemical variability at the freshwater-zone wells might result from dilution of ground water by meteoric water. This is indicated by relatively constant major ion molar ratios; a preponderance of positive correlations between SC, major ions, and trace elements; and a principal components analysis in which the major ions are strongly loaded on the first principal component. Much of the variability at three of the four transition-zone wells might result from the use of different laboratory analytical methods or reporting procedures during the period of sampling. This is reflected by a lack of correlation between SC and major ion concentrations at the transition-zone wells and by a principal components analysis in which the variability is fairly evenly distributed across several principal components. The statistical analyses further indicate that, although the transition-zone wells are less well connected to surficial hydrologic conditions than the freshwater-zone wells, there is some connection but the response time is longer. 

Unique battery with an active membrane separator having uniform physico-chemically functionalized ion channels and a method making the same

DOEpatents

Gerald, II, Rex E.; Ruscic, Katarina J [Chicago, IL; Sears, Devin N [Spruce Grove, CA; Smith, Luis J [Natick, MA; Klingler, Robert J [Glenview, IL; Rathke, Jerome W [Homer Glen, IL

2012-02-21

The invention relates to a unique battery having an active, porous membrane and method of making the same. More specifically the invention relates to a sealed battery system having a porous, metal oxide membrane with uniform, physicochemically functionalized ion channels capable of adjustable ionic interaction. The physicochemically-active porous membrane purports dual functions: an electronic insulator (separator) and a unidirectional ion-transporter (electrolyte). The electrochemical cell membrane is activated for the transport of ions by contiguous ion coordination sites on the interior two-dimensional surfaces of the trans-membrane unidirectional pores. The membrane material is designed to have physicochemical interaction with ions. Control of the extent of the interactions between the ions and the interior pore walls of the membrane and other materials, chemicals, or structures contained within the pores provides adjustability of the ionic conductivity of the membrane.

The effect of mixing method on tricalcium silicate-based cement.

PubMed

Duque, J A; Fernandes, S L; Bubola, J P; Duarte, M A H; Camilleri, J; Marciano, M A

2018-01-01

To evaluate the effect of three methods of mixing on the physical and chemical properties of tricalcium silicate-based cements. The materials evaluated were MTA Angelus and Portland cement with 20% zirconium oxide (PC-20-Zr). The cements were mixed using a 3 : 1 powder-to-liquid ratio. The mixing methods were manual (m), trituration (tr) and ultrasonic (us) activation. The materials were characterized by means of scanning electron microscope (SEM) and energy dispersive X-ray spectroscopy. Flowability was analysed according to ANSI/ADA 57/2012. Initial and final setting times were assessed following ASTM C266/08. Volume change was evaluated using a micro-CT volumetric method. Solubility was analysed according to ADA 57/2012. pH and calcium ion release were measured after 3, 24, 72 and 168 h. Statistical analysis was performed using two-way analysis of variance. The level of significance was set at P = 0.05. The SEM analysis revealed that ultrasonic activation was associated with a homogeneous distribution of particles. Flowability, volume change and initial setting time were not influenced by the mixing method (P > 0.05). Solubility was influenced by the mixing method (P < 0.05). For pH, at 168 h, significant differences were found between MTA-m and PC-20-Zr-m (P < 0.05). For calcium ion release, PC-20-Zr-tr had higher values than MTA-m at 3 h, and MTA-tr had higher values than PC-20-Zr-m at 168 h (P < 0.05). The ultrasonic and trituration methods led to higher calcium ion release and pH compared with manual mixing for all cements, whilst the ultrasonic method produced smaller particles for the PC-20-Zr cement. Flow, setting times and volume change were not influenced by the mixing method used; however, it did have an impact on solubility. © 2017 International Endodontic Journal. Published by John Wiley & Sons Ltd.

Multi-charge-state molecular dynamics and self-diffusion coefficient in the warm dense matter regime

NASA Astrophysics Data System (ADS)

Fu, Yongsheng; Hou, Yong; Kang, Dongdong; Gao, Cheng; Jin, Fengtao; Yuan, Jianmin

2018-01-01

We present a multi-ion molecular dynamics (MIMD) simulation and apply it to calculating the self-diffusion coefficients of ions with different charge-states in the warm dense matter (WDM) regime. First, the method is used for the self-consistent calculation of electron structures of different charge-state ions in the ion sphere, with the ion-sphere radii being determined by the plasma density and the ion charges. The ionic fraction is then obtained by solving the Saha equation, taking account of interactions among different charge-state ions in the system, and ion-ion pair potentials are computed using the modified Gordon-Kim method in the framework of temperature-dependent density functional theory on the basis of the electron structures. Finally, MIMD is used to calculate ionic self-diffusion coefficients from the velocity correlation function according to the Green-Kubo relation. A comparison with the results of the average-atom model shows that different statistical processes will influence the ionic diffusion coefficient in the WDM regime.

Simultaneous analysis of 11 main active components in Cirsium setosum based on HPLC-ESI-MS/MS and combined with statistical methods.

PubMed

Sun, Qian; Chang, Lu; Ren, Yanping; Cao, Liang; Sun, Yingguang; Du, Yingfeng; Shi, Xiaowei; Wang, Qiao; Zhang, Lantong

2012-11-01

A novel method based on high-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry was developed for simultaneous determination of the 11 major active components including ten flavonoids and one phenolic acid in Cirsium setosum. Separation was performed on a reversed-phase C(18) column with gradient elution of methanol and 0.1‰ acetic acid (v/v). The identification and quantification of the analytes were achieved on a hybrid quadrupole linear ion trap mass spectrometer. Multiple-reaction monitoring scanning was employed for quantification with switching electrospray ion source polarity between positive and negative modes in a single run. Full validation of the assay was carried out including linearity, precision, accuracy, stability, limits of detection and quantification. The results demonstrated that the method developed was reliable, rapid, and specific. The 25 batches of C. setosum samples from different sources were first determined using the developed method and the total contents of 11 analytes ranged from 1717.460 to 23028.258 μg/g. Among them, the content of linarin was highest, and its mean value was 7340.967 μg/g. Principal component analysis and hierarchical clustering analysis were performed to differentiate and classify the samples, which is helpful for comprehensive evaluation of the quality of C. setosum. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

STATISTICAL VALIDATION OF SULFATE QUANTIFICATION METHODS USED FOR ANALYSIS OF ACID MINE DRAINAGE

EPA Science Inventory

Turbidimetric method (TM), ion chromatography (IC) and inductively coupled plasma atomic emission spectrometry (ICP-AES) with and without acid digestion have been compared and validated for the determination of sulfate in mining wastewater. Analytical methods were chosen to compa...

Isotopic analysis of uranium in natural waters by alpha spectrometry

USGS Publications Warehouse

Edwards, K.W.

1968-01-01

A method is described for the determination of U234/U238 activity ratios for uranium present in natural waters. The uranium is coprecipitated from solution with aluminum phosphate, extracted into ethyl acetate, further purified by ion exchange, and finally electroplated on a titanium disc for counting. The individual isotopes are determined by measurement of the alpha-particle energy spectrum using a high resolution low-background alpha spectrometer. Overall chemical recovery of about 90 percent and a counting efficiency of 25 percent allow analyses of water samples containing as little as 0.10 ?g/l of uranium. The accuracy of the method is limited, on most samples, primarily by counting statistics.

First β-ν correlation measurement from the recoil-energy spectrum of Penning trapped Ar35 ions

NASA Astrophysics Data System (ADS)

Van Gorp, S.; Breitenfeldt, M.; Tandecki, M.; Beck, M.; Finlay, P.; Friedag, P.; Glück, F.; Herlert, A.; Kozlov, V.; Porobic, T.; Soti, G.; Traykov, E.; Wauters, F.; Weinheimer, Ch.; Zákoucký, D.; Severijns, N.

2014-08-01

We demonstrate a novel method to search for physics beyond the standard model by determining the β-ν angular correlation from the recoil-ion energy distribution after β decay of ions stored in a Penning trap. This recoil-ion energy distribution is measured with a retardation spectrometer. The unique combination of the spectrometer with a Penning trap provides a number of advantages, e.g., a high recoil-ion count rate and low sensitivity to the initial position and velocity distribution of the ions and completely different sources of systematic errors compared to other state-of-the-art experiments. Results of a first measurement with the isotope Ar35 are presented. Although currently at limited precision, we show that a statistical precision of about 0.5% is achievable with this unique method, thereby opening up the possibility of contributing to state-of-the-art searches for exotic currents in weak interactions.

Unique battery with a multi-functional, physicochemically active membrane separator/electrolyte-electrode monolith and a method making the same

DOEpatents

Gerald, II, Rex E; Ruscic, Katarina J; Sears, Devin N; Smith, Luis J; Klinger, Robert J; Rathke, Jerome W

2013-11-26

The invention relates to a unique battery having a physicochemically active membrane separator/electrolyte-electrode monolith and method of making the same. The Applicant's invented battery employs a physicochemically active membrane separator/electrolyte-electrode that acts as a separator, electrolyte, and electrode, within the same monolithic structure. The chemical composition, physical arrangement of molecules, and physical geometry of the pores play a role in the sequestration and conduction of ions. In one preferred embodiment, ions are transported via the ion-hoping mechanism where the oxygens of the Al.sub.2O.sub.3 wall are available for positive ion coordination (i.e. Li.sup.+). This active membrane-electrode composite can be adjusted to a desired level of ion conductivity by manipulating the chemical composition and structure of the pore wall to either increase or decrease ion conduction.

Unique battery with a multi-functional, physicochemically active membrane separator/electrolyte-electrode monolith and a method making the same

DOEpatents

Gerald II, Rex E.; Ruscic, Katarina J.; Sears, Devin N.; Smith, Luis J.; Klingler, Robert J.; Rathke, Jerome W.

2012-07-24

The invention relates to a unique battery having a physicochemically active membrane separator/electrolyte-electrode monolith and method of making the same. The Applicant's invented battery employs a physicochemically active membrane separator/electrolyte-electrode that acts as a separator, electrolyte, and electrode, within the same monolithic structure. The chemical composition, physical arrangement of molecules, and physical geometry of the pores play a role in the sequestration and conduction of ions. In one preferred embodiment, ions are transported via the ion-hoping mechanism where the oxygens of the Al₂O₃ wall are available for positive ion coordination (i.e. Li⁺). This active membrane-electrode composite can be adjusted to a desired level of ion conductivity by manipulating the chemical composition and structure of the pore wall to either increase or decrease ion conduction.

[Retrieval of Copper Pollution Information from Hyperspectral Satellite Data in a Vegetation Cover Mining Area].

PubMed

Qu, Yong-hua; Jiao, Si-hong; Liu, Su-hong; Zhu, Ye-qing

2015-11-01

Heavy metal mining activities have caused the complex influence on the ecological environment of the mining regions. For example, a large amount of acidic waste water containing heavy metal ions have be produced in the process of copper mining which can bring serious pollution to the ecological environment of the region. In the previous research work, bare soil is mainly taken as the research target when monitoring environmental pollution, and thus the effects of land surface vegetation have been ignored. It is well known that vegetation condition is one of the most important indictors to reflect the ecological change in a certain region and there is a significant linkage between the vegetation spectral characteristics and the heavy metal when the vegetation is effected by the heavy metal pollution. It means the vegetation is sensitive to heavy metal pollution by their physiological behaviors in response to the physiological ecology change of their growing environment. The conventional methods, which often rely on large amounts of field survey data and laboratorial chemical analysis, are time consuming and costing a lot of material resources. The spectrum analysis method using remote sensing technology can acquire the information of the heavy mental content in the vegetation without touching it. However, the retrieval of that information from the hyperspectral data is not an easy job due to the difficulty in figuring out the specific band, which is sensitive to the specific heavy metal, from a huge number of hyperspectral bands. Thus the selection of the sensitive band is the key of the spectrum analysis method. This paper proposed a statistical analysis method to find the feature band sensitive to heavy metal ion from the hyperspectral data and to then retrieve the metal content using the field survey data and the hyperspectral images from China Environment Satellite HJ-1. This method selected copper ion content in the leaves as the indicator of copper pollution level, using stepwise multiple linear regression and cross validation on the dataset which is consisting of 44 groups of copper ion content information in the polluted vegetation leaves from Dexing Copper Mine in Jiangxi Province to build up a statistical model by also incorporating the HJ-1 satellite images. This model was then used to estimate the copper content distribution over the whole research area at Dexing Copper Mine. The result has shown that there is strong statistical significance of the model which revealed the most sensitive waveband to copper ion is located at 516 nm. The distribution map illustrated that the copper ion content is generally in the range of 0-130 mg · kg⁻¹ in the vegetation covering area at Dexing Copper Mine and the most seriously polluted area is located at the South-east corner of Dexing City as well as the mining spots with a higher value between 80 and 100 mg · kg⁻¹. This result is consistent with the ground observation experiment data. The distribution map can certainly provide some important basic data on the copper pollution monitoring and treatment.

Sequencing Larger Intact Proteins (30-70 kDa) with Activated Ion Electron Transfer Dissociation

NASA Astrophysics Data System (ADS)

Riley, Nicholas M.; Westphall, Michael S.; Coon, Joshua J.

2018-01-01

The analysis of intact proteins via mass spectrometry can offer several benefits to proteome characterization, although the majority of top-down experiments focus on proteoforms in a relatively low mass range (<30 kDa). Recent studies have focused on improving the analysis of larger intact proteins (up to 75 kDa), but they have also highlighted several challenges to be addressed. One major hurdle is the efficient dissociation of larger protein ions, which often to do not yield extensive fragmentation via conventional tandem MS methods. Here we describe the first application of activated ion electron transfer dissociation (AI-ETD) to proteins in the 30-70 kDa range. AI-ETD leverages infrared photo-activation concurrent to ETD reactions to improve sequence-informative product ion generation. This method generates more product ions and greater sequence coverage than conventional ETD, higher-energy collisional dissociation (HCD), and ETD combined with supplemental HCD activation (EThcD). Importantly, AI-ETD provides the most thorough protein characterization for every precursor ion charge state investigated in this study, making it suitable as a universal fragmentation method in top-down experiments. Additionally, we highlight several acquisition strategies that can benefit characterization of larger proteins with AI-ETD, including combination of spectra from multiple ETD reaction times for a given precursor ion, multiple spectral acquisitions of the same precursor ion, and combination of spectra from two different dissociation methods (e.g., AI-ETD and HCD). In all, AI-ETD shows great promise as a method for dissociating larger intact protein ions as top-down proteomics continues to advance into larger mass ranges. [Figure not available: see fulltext.

Salivary alkaline phosphatase and calcium in caries-active type II diabetes mellitus patients: An in vivo study

PubMed Central

Hegde, Mithra N.; Tahiliani, Divya; Shetty, Shilpa; Devadiga, Darshana

2014-01-01

Background: Diabetes Mellitus is a metabolic syndrome, affecting the oral health in various ways with dental caries being one of the most common problems encountered. Saliva is one of the most abundant secretions in the human body with a variety of natural protective and defence molecules bathing the oral cavity maintaining equilibrium. Its collection is easy and non-invasive. Aims: To compare and evaluate salivary alkaline phosphatase levels and calcium ion levels between caries active type II diabetes mellitus patients and non-diabetics. Materials and Methods: This study was carried out on caries-active age and gender matched 60 non-diabetic and 60 patients with known Type II diabetes mellitus subjects of age group 25-50 years with DMFT index >10. Saliva sample was collected to analyse for alkaline phosphatase enzyme and concentration of calcium ions using Agappe kits. Statistical Analysis: Student ‘t’ test was used to correlate the salivary electrolyte concentration in non- diabetic and diabetic patients with dental caries. A ‘P’ value of 0.05 or less was considered significant. Results are presented as mean ± standard deviation (X ± SD). Results: The alkaline phosphatase (ALP) activity in saliva was higher in diabetic patients when compared to that of non-diabetic patients with salivary calcium ions were significantly higher in non-diabetic individuals. Conclusion: Diabetes Mellitus patients are more prone to dental caries, hence require intervention to improve the quality of saliva. PMID:25395756

Ion sensing method

DOEpatents

Smith, Richard Harding; Martin, Glenn Brian

2004-05-18

The present invention allows the determination of trace levels of ionic substances in a sample solution (ions, metal ions, and other electrically charged molecules) by coupling a separation method, such as liquid chromatography, with ion selective electrodes (ISE) prepared so as to allow detection at activities below 10.sup.-6 M. The separation method distributes constituent molecules into fractions due to unique chemical and physical properties, such as charge, hydrophobicity, specific binding interactions, or movement in an electrical field. The separated fractions are detected by means of the ISE(s). These ISEs can be used singly or in an array. Accordingly, modifications in the ISEs are used to permit detection of low activities, specifically, below 10.sup.-6 M, by using low activities of the primary analyte (the molecular species which is specifically detected) in the inner filling solution of the ISE. Arrays constructed in various ways allow flow-through sensing for multiple ions.

Modulational instability: Conservation laws and bright soliton solution of ion-acoustic waves in electron-positron-ion-dust plasmas

NASA Astrophysics Data System (ADS)

EL-Kalaawy, O. H.

2018-02-01

We consider the nonlinear propagation of non-planar (cylindrical and spherical) ion-acoustic (IA) envelope solitary waves in an unmagnetized plasma consisting of electron-positron-ion-dust plasma with two-electron temperature distributions in the context of the non-extensive statistics. The basic set of fluid equations is reduced to the modified nonlinear Schrödinger (MNLS) equation in cylindrical and spherical geometry by using the reductive perturbation method (RPM). It is found that the nature of the modulational instabilities would be significantly modified due to the effects of the non-extensive and other plasma parameters as well as cylindrical and spherical geometry. Conservation laws of the MNLS equation are obtained by Lie symmetry and multiplier method. A new exact solution (envelope bright soliton) is obtained by the extended homogeneous balance method. Finally, we study the results of this article.

Experimental investigation of possible geomagnetic feedback from energetic (0.1 to 16 keV) terrestrial O(+) ions in the magnetotail current sheet

NASA Technical Reports Server (NTRS)

Lennartsson, O. W.; Klumpar, D. M.; Shelley, E. G.; Quinn, J. M.

1994-01-01

Data from energetic ion mass spectrometers on the ISEE 1 and AMPTE/CCE spacecraft are combined with geomagnetic and solar indices to investigate, in a statistical fashion, whether energized O(+) ions of terrestrial origin constitute a source of feedback which triggers or amplifies geomagnetic activity as has been suggested in the literature, by contributing a destabilizing mass increase in the magnetotail current sheet. The ISEE 1 data (0.1-16 keV/e) provide in situ observations of the O(+) concentration in the central plasma sheet, inside of 23 R(sub E), during the rising and maximum phases of solar cycle 21, as well as inner magnetosphere data from same period. The CCE data (0.1-17 keV/e) taken during the subsequent solar minimum all within 9 R(sub E). provide a reference for long-term variations in the magnetosphere O(+) content. Statistical correlations between the ion data and the indices, and between different indices. all point in the same direction: there is probably no feedback specific to the O(+) ions, in spite of the fact that they often contribute most of the ion mass density in the tail current sheet.

Low-altitude ion heating with downflowing and upflowing ions

NASA Astrophysics Data System (ADS)

Shen, Y.; Knudsen, D. J.; Burchill, J. K.; Howarth, A. D.; Yau, A. W.; James, G.; Miles, D.; Cogger, L. L.; Perry, G. W.

2017-12-01

Mechanisms that energize ions at the initial stage of ion upflow are still not well understood. We statistically investigate ionospheric ion energization and field-aligned motion at very low altitudes (330-730 km) using simultaneous plasma, magnetic field, wave electric field and optical data from the e-POP satellite. The high-time-resolution (10 ms) dataset enables us to study the micro-structures of ion heating and field-aligned ion motion. The ion temperature and field-aligned bulk flow velocity are derived from 2-D ion distribution functions measured by the SEI instrument. From March 2015 to March 2016, we've found 17 orbits (in total 24 ion heating periods) with clear ion heating signatures passing across the dayside cleft or the nightside auroral regions. Most of these events have consistent ion heating and flow velocity characteristics observed from both the SEI and IRM instruments. The perpendicular ion temperature goes up to 4.5 eV within a 2 km-wide region in some cases, in which the Radio Receiver Instrument (RRI) sees broadband extremely low frequency (BBELF) waves, demonstrating significant wave-ion heating down to as low as 350 km. The e-POP Fast Auroral Imager (FAI) and Magnetic Field (MGF) instruments show that many events are associated with active aurora and are within downward current regions. Contrary to what would be expected from mirror-force acceleration of heated ions, the majority of these heating events (17 out of 24) are associated with the core ion downflow rather than upflow. These statistical results provide us with new sights into ion heating and field-aligned flow processes at very low altitudes.

Tandem mass spectrometry of large biomolecule ions by blackbody infrared radiative dissociation.

PubMed

Price, W D; Schnier, P D; Williams, E R

1996-03-01

A new method for the dissociation of large ions formed by electrospray ionization is demonstrated. Ions trapped in a Fourier transform mass spectrometer at pressures below 10(-)(8) Torr are dissociated by elevating the vacuum chamber to temperatures up to 215 °C. Rate constants for dissociation are measured and found to be independent of pressure below 10(-)(7) Torr. This indicates that the ions are activated by absorption of blackbody radiation emitted from the chamber walls. Dissociation efficiencies as high as 100% are obtained. There is no apparent mass limit to this method; ions as large as ubiquitin (8.6 kDa) are readily dissociated. Thermally stable ions, such as melittin 3+ (2.8 kDa), did not dissociate at temperatures up to 200 °C. This method is highly selective for low-energy fragmentation, from which limited sequence information can be obtained. From the temperature dependence of the dissociation rate constants, Arrhenius activation energies in the low-pressure limit are obtained. The lowest energy dissociation processes for the singly and doubly protonated ions of bradykinin are loss of NH(3) and formation of the b(2)/y(7) complementary pair, with activation energies of 1.3 and 0.8 eV, respectively. No loss of NH(3) is observed for the doubly protonated ion; some loss of H(2)O occurs. These results show that charge-charge interactions not only lower the activation energy for dissociation but also can dramatically change the fragmentation, most likely through changes in the gas-phase conformation of the ion. Dissociation of ubiquitin ions produces fragmentation similar to that obtained by IRMPD and SORI-CAD. Higher charge state ions dissociate to produce y and b ions; the primary fragmentation process for low charge state ions is loss of H(2)O.

Following the Ions through a Mass Spectrometer with Atmospheric Pressure Interface: Simulation of Complete Ion Trajectories from Ion Source to Mass Analyzer.

PubMed

Zhou, Xiaoyu; Ouyang, Zheng

2016-07-19

Ion trajectory simulation is an important and useful tool in instrumentation development for mass spectrometry. Accurate simulation of the ion motion through the mass spectrometer with atmospheric pressure ionization source has been extremely challenging, due to the complexity in gas hydrodynamic flow field across a wide pressure range as well as the computational burden. In this study, we developed a method of generating the gas flow field for an entire mass spectrometer with an atmospheric pressure interface. In combination with the electric force, for the first time simulation of ion trajectories from an atmospheric pressure ion source to a mass analyzer in vacuum has been enabled. A stage-by-stage ion repopulation method has also been implemented for the simulation, which helped to avoid an intolerable computational burden for simulations at high pressure regions while it allowed statistically meaningful results obtained for the mass analyzer. It has been demonstrated to be suitable to identify a joint point for combining the high and low pressure fields solved individually. Experimental characterization has also been done to validate the new method for simulation. Good agreement was obtained between simulated and experimental results for ion transfer though an atmospheric pressure interface with a curtain gas.

Electrochemical activation and inhibition of neuromuscular systems through modulation of ion concentrations with ion-selective membranes

NASA Astrophysics Data System (ADS)

Song, Yong-Ak; Melik, Rohat; Rabie, Amr N.; Ibrahim, Ahmed M. S.; Moses, David; Tan, Ara; Han, Jongyoon; Lin, Samuel J.

2011-12-01

Conventional functional electrical stimulation aims to restore functional motor activity of patients with disabilities resulting from spinal cord injury or neurological disorders. However, intervention with functional electrical stimulation in neurological diseases lacks an effective implantable method that suppresses unwanted nerve signals. We have developed an electrochemical method to activate and inhibit a nerve by electrically modulating ion concentrations in situ along the nerve. Using ion-selective membranes to achieve different excitability states of the nerve, we observe either a reduction of the electrical threshold for stimulation by up to approximately 40%, or voluntary, reversible inhibition of nerve signal propagation. This low-threshold electrochemical stimulation method is applicable in current implantable neuroprosthetic devices, whereas the on-demand nerve-blocking mechanism could offer effective clinical intervention in disease states caused by uncontrolled nerve activation, such as epilepsy and chronic pain syndromes.

Nicotine-induced activation of soluble adenylyl cyclase participates in ion transport regulation in mouse tracheal epithelium.

PubMed

Hollenhorst, Monika I; Lips, Katrin S; Kummer, Wolfgang; Fronius, Martin

2012-11-27

Functional nicotinic acetylcholine receptors (nAChR) have been identified in airway epithelia and their location in the apical and basolateral membrane makes them targets for acetylcholine released from neuronal and non-neuronal sources. One function of nAChR in airway epithelia is their involvement in the regulation of transepithelial ion transport by activation of chloride and potassium channels. However, the mechanisms underlying this nicotine-induced activation of ion transport are not fully elucidated. Thus, the aim of this study was to investigate the involvement of adenylyl cyclases in the nicotine-induced ion current in mouse tracheal epithelium. To evaluate the nicotine-mediated changes of transepithelial ion transport processes electrophysiological Ussing chamber measurements were applied and nicotine-induced ion currents were recorded in the absence and presence of adenylyl cyclase inhibitors. The ion current changes induced by nicotine (100 μM, apical) were not altered in the presence of high doses of atropine (25 μM, apical and basolateral), underlining the involvement of nAChR. Experiments with the transmembrane adenylyl cyclase inhibitor 2'5'-dideoxyadenosine (50 μM, apical and basolateral) and the soluble adenylyl cyclase inhibitor KH7 (10 μM, apical and basolateral) both reduced the nicotine-mediated ion current to a similar extent. Yet, a statistically significant reduction was obtained only in the experiments with KH7. This study indicates that nicotine binding to nAChR in mouse tracheal epithelium activates transepithelial ion transport involving adenylyl cyclase activity. This might be important for novel therapeutic strategies targeting epithelial ion transport mediated by the non-neuronal cholinergic system. Copyright © 2012 Elsevier Inc. All rights reserved.

A flexible statistical model for alignment of label-free proteomics data – incorporating ion mobility and product ion information

PubMed Central

2013-01-01

Background The goal of many proteomics experiments is to determine the abundance of proteins in biological samples, and the variation thereof in various physiological conditions. High-throughput quantitative proteomics, specifically label-free LC-MS/MS, allows rapid measurement of thousands of proteins, enabling large-scale studies of various biological systems. Prior to analyzing these information-rich datasets, raw data must undergo several computational processing steps. We present a method to address one of the essential steps in proteomics data processing - the matching of peptide measurements across samples. Results We describe a novel method for label-free proteomics data alignment with the ability to incorporate previously unused aspects of the data, particularly ion mobility drift times and product ion information. We compare the results of our alignment method to PEPPeR and OpenMS, and compare alignment accuracy achieved by different versions of our method utilizing various data characteristics. Our method results in increased match recall rates and similar or improved mismatch rates compared to PEPPeR and OpenMS feature-based alignment. We also show that the inclusion of drift time and product ion information results in higher recall rates and more confident matches, without increases in error rates. Conclusions Based on the results presented here, we argue that the incorporation of ion mobility drift time and product ion information are worthy pursuits. Alignment methods should be flexible enough to utilize all available data, particularly with recent advancements in experimental separation methods. PMID:24341404

A flexible statistical model for alignment of label-free proteomics data--incorporating ion mobility and product ion information.

PubMed

Benjamin, Ashlee M; Thompson, J Will; Soderblom, Erik J; Geromanos, Scott J; Henao, Ricardo; Kraus, Virginia B; Moseley, M Arthur; Lucas, Joseph E

2013-12-16

The goal of many proteomics experiments is to determine the abundance of proteins in biological samples, and the variation thereof in various physiological conditions. High-throughput quantitative proteomics, specifically label-free LC-MS/MS, allows rapid measurement of thousands of proteins, enabling large-scale studies of various biological systems. Prior to analyzing these information-rich datasets, raw data must undergo several computational processing steps. We present a method to address one of the essential steps in proteomics data processing--the matching of peptide measurements across samples. We describe a novel method for label-free proteomics data alignment with the ability to incorporate previously unused aspects of the data, particularly ion mobility drift times and product ion information. We compare the results of our alignment method to PEPPeR and OpenMS, and compare alignment accuracy achieved by different versions of our method utilizing various data characteristics. Our method results in increased match recall rates and similar or improved mismatch rates compared to PEPPeR and OpenMS feature-based alignment. We also show that the inclusion of drift time and product ion information results in higher recall rates and more confident matches, without increases in error rates. Based on the results presented here, we argue that the incorporation of ion mobility drift time and product ion information are worthy pursuits. Alignment methods should be flexible enough to utilize all available data, particularly with recent advancements in experimental separation methods.

The effective temperature of Peptide ions dissociated by sustained off-resonance irradiation collisional activation in fourier transform mass spectrometry.

PubMed

Schnier, P D; Jurchen, J C; Williams, E R

1999-01-28

A method for determining the internal energy of biomolecule ions activated by collisions is demonstrated. The dissociation kinetics of protonated leucine enkephalin and doubly protonated bradykinin were measured using sustained off-resonance irradiation (SORI) collisionally activated dissociation (CAD) in a Fourier transform mass spectrometer. Dissociation rate constants are obtained from these kinetic data. In combination with Arrhenius parameters measured with blackbody infrared radiative dissociation, the "effective" temperatures of these ions are obtained. Effects of excitation voltage and frequency and the ion cell pressure were investigated. With typical SORI-CAD experimental conditions, the effective temperatures of these peptide ions range between 200 and 400 degrees C. Higher temperatures can be easily obtained for ions that require more internal energy to dissociate. The effective temperatures of both protonated leucine enkephalin and doubly protonated bradykinin measured with the same experimental conditions are similar. Effective temperatures for protonated leucine enkephalin can also be obtained from the branching ratio of the b(4) and (M + H - H(2)O)(+) pathways. Values obtained from this method are in good agreement with those obtained from the overall dissociation rate constants. Protonated leucine enkephalin is an excellent "thermometer" ion and should be well suited to establishing effective temperatures of ions activated by other dissociation techniques, such as infrared photodissociation, as well as ionization methods, such as matrix assisted laser desorption/ionization.

The Effective Temperature of Peptide Ions Dissociated by Sustained Off-Resonance Irradiation Collisional Activation in Fourier Transform Mass Spectrometry

PubMed Central

Schnier, Paul D.; Jurchen, John C.; Williams, Evan R.

2005-01-01

A method for determining the internal energy of biomolecule ions activated by collisions is demonstrated. The dissociation kinetics of protonated leucine enkephalin and doubly protonated bradykinin were measured using sustained off-resonance irradiation (SORI) collisionally activated dissociation (CAD) in a Fourier transform mass spectrometer. Dissociation rate constants are obtained from these kinetic data. In combination with Arrhenius parameters measured with blackbody infrared radiative dissociation, the “effective” temperatures of these ions are obtained. Effects of excitation voltage and frequency and the ion cell pressure were investigated. With typical SORI–CAD experimental conditions, the effective temperatures of these peptide ions range between 200 and 400 °C. Higher temperatures can be easily obtained for ions that require more internal energy to dissociate. The effective temperatures of both protonated leucine enkephalin and doubly protonated bradykinin measured with the same experimental conditions are similar. Effective temperatures for protonated leucine enkephalin can also be obtained from the branching ratio of the b4 and (M + H − H2O)+ pathways. Values obtained from this method are in good agreement with those obtained from the overall dissociation rate constants. Protonated leucine enkephalin is an excellent “thermometer” ion and should be well suited to establishing effective temperatures of ions activated by other dissociation techniques, such as infrared photodissociation, as well as ionization methods, such as matrix assisted laser desorption/ionization. PMID:16614752

Evaluation of Nickel and Chromium Ion Release During Fixed Orthodontic Treatment Using Inductively Coupled Plasma-Mass Spectrometer: An In Vivo Study

PubMed Central

Nayak, Rabindra S; Khanna, Bharti; Pasha, Azam; Vinay, K; Narayan, Anjali; Chaitra, K

2015-01-01

Background: Fixed orthodontic appliances with the use of stainless steel brackets and archwires made of nitinol have a corrosive potential in the oral environment. Nickel and chromium ions released from these appliances act as allergens apart from being cytotoxic, mutagenic and carcinogenic in smaller quantities in the range of nanograms. This study was done to evaluate the release of nickel and chromium ions from orthodontic appliances in the oral cavity using Inductively Coupled Plasma-Mass Spectrometer (ICP-MS). Materials and Methods: Saliva samples from 30 orthodontic patients undergoing treatment with 0.022″ MBT mechanotherapy were collected prior to commencement of treatment, after initial aligning wires and after 10-12 months of treatment. Salivary nickel and chromium ion concentration was measured in parts per billion (ppb) using ICP-MS. Results: Mean, standard deviation and range were computed for the concentrations of ions obtained. Results analyzed using ANOVA indicated a statistically significant increase of 10.35 ppb in nickel ion concentration and 33.53 ppb in chromium ion concentration after initial alignment. The ionic concentration at the end of 10-12 months of treatment showed a statistically significant increase in of 17.92 ppb for chromium and a statistically insignificant decrease in nickel ion concentration by 1.58 ppb. Pearson’s correlation coefficient showed a positive correlation for an increase in nickel concentration after aligning, but not at the end of 10-12 months. A positive correlation was seen for an increase in chromium ion concentration at both time intervals. Conclusion: Nickel and chromium ion concentration in saliva even though below the recommended daily allowance should not be ignored in light of the new knowledge regarding effects of these ions at the molecular level and the allergic potential. Careful and detailed medical history of allergy is essential. Nickel free alternatives should form an essential part of an orthodontist’s inventory. PMID:26464533

Adsorption of metal ions by pecan shell-based granular activated carbons.

PubMed

Bansode, R R; Losso, J N; Marshall, W E; Rao, R M; Portier, R J

2003-09-01

The present investigation was undertaken to evaluate the adsorption effectiveness of pecan shell-based granular activated carbons (GACs) in removing metal ions (Cu(2+), Pb(2+), Zn(2+)) commonly found in municipal and industrial wastewater. Pecan shells were activated by phosphoric acid, steam or carbon dioxide activation methods. Metal ion adsorption of shell-based GACs was compared to the metal ion adsorption of a commercial carbon, namely, Calgon's Filtrasorb 200. Adsorption experiments were conducted using solutions containing all three metal ions in order to investigate the competitive effects of the metal ions as would occur in contaminated wastewater. The results obtained from this study showed that acid-activated pecan shell carbon adsorbed more lead ion and zinc ion than any of the other carbons, especially at carbon doses of 0.2-1.0%. However, steam-activated pecan shell carbon adsorbed more copper ion than the other carbons, particularly using carbon doses above 0.2%. In general, Filtrasorb 200 and carbon dioxide-activated pecan shell carbons were poor metal ion adsorbents. The results indicate that acid- and steam-activated pecan shell-based GACs are effective metal ion adsorbents and can potentially replace typical coal-based GACs in treatment of metal contaminated wastewater.

Methods for performing electrochemical nitration reactions

DOEpatents

Lister, Tedd Edward; Fox, Robert Vincent

2010-05-11

A method for the electrochemical synthesis of dinitro compounds is disclosed. The method comprises using an anode to oxidize an inactive chemical mediator, such as a ferrocyanide (Fe(CN).sub.6.sup.-4) ion, to an active chemical mediator or oxidizing agent, such as a ferricyanide (Fe(CN).sub.6.sup.-3) ion, in the presence of a differential voltage. The oxidizing agent reacts with a nitro compound and a nitrite ion to form a geminal dinitro compound. The anode may continuously oxidize ferrocyanide to regenerate active ferricyanide, thus keeping sufficient amounts of ferricyanide available for reaction..

Energetic O+ and H+ Ions in the Plasma Sheet: Implications for the Transport of Ionospheric Ions

NASA Technical Reports Server (NTRS)

Ohtani, S.; Nose, M.; Christon, S. P.; Lui, A. T.

2011-01-01

The present study statistically examines the characteristics of energetic ions in the plasma sheet using the Geotail/Energetic Particle and Ion Composition data. An emphasis is placed on the O+ ions, and the characteristics of the H+ ions are used as references. The following is a summary of the results. (1) The average O+ energy is lower during solar maximum and higher during solar minimum. A similar tendency is also found for the average H+ energy, but only for geomagnetically active times; (2) The O+ -to -H+ ratios of number and energy densities are several times higher during solar maximum than during solar minimum; (3) The average H+ and O+ energies and the O+ -to -H+ ratios of number and energy densities all increase with geomagnetic activity. The differences among different solar phases not only persist but also increase with increasing geomagnetic activity; (4) Whereas the average H+ energy increases toward Earth, the average O+ energy decreases toward Earth. The average energy increases toward dusk for both the H+ and O+ ions; (5) The O+ -to -H+ ratios of number and energy densities increase toward Earth during all solar phases, but most clearly during solar maximum. These results suggest that the solar illumination enhances the ionospheric outflow more effectively with increasing geomagnetic activity and that a significant portion of the O+ ions is transported directly from the ionosphere to the near ]Earth region rather than through the distant tail.

Trapping Mode Dipolar DC Collisional Activation in the RF-Only Ion Guide of a Linear Ion Trap/Time-of-Flight Instrument for Gaseous Bio-Ion Declustering

PubMed Central

Webb, Ian K.; Gao, Yang; Londry, Frank A.; McLuckey, Scott A.

2013-01-01

The application of dipolar DC (DDC) to the RF-only ion guide (Q0) of a hybrid quadrupole/time-of-flight (QqTOF) mass spectrometer for collision-induced declustering of large bio-ions is described. As a broadband technique, ion trap DDC collision activation (CA) is employed to decluster ions simultaneously over a relatively broad mass-to-charge range. Declustering DDC CA can yield significantly narrower peaks relative to those observed in the absence of declustering methods, depending upon the extent of non-covalent adduction associated with the ions, and can also be used in conjunction with other methods, such as nozzle-skimmer collisional activation. The key experimental variables in the DDC experiment are the dipolar DC voltage (VDDC), VRF, and the time over which VDDC is applied. The VDDC/VRF ratio is key to the extent to which ion temperatures are elevated and also influences the upper mass-to-charge limit for ion storage. The VDDC/VRF ratio affects ion temperatures and upper m/z limit in opposing directions. That is, as the ratio increases, ion temperature increases whereas the upper m/z storage limit decreases. However, for a given VDDC/VRF ratio, the upper m/z storage limit can be increased by increasing VRF, at the expense of the lower m/z limit for ion storage. The key value of the approach is that it affords a relatively precise degree of control over ion temperatures as well as the time over which they are elevated to the higher temperature. The utility of the method is illustrated by the application of ion trap DDC CA in Q0 to oligonucleotide, protein, and multimeric protein complex analyte ions. PMID:24078247

Occurrence of ion upflow associated with ion/electron heating in the polar cap and cusp regions

NASA Astrophysics Data System (ADS)

Ji, E. Y.; Jee, G.; Kwak, Y. S.

2017-12-01

We investigate the occurrence frequency of ion upflow in association with ion/electron heating in the polar cap and cusp regions, using the data obtained from the European Incoherent Scatter Svalbard radar (ESR) during the period of 2000 to 2010. We classify the upflow events by four cases: driven by ion heating (case 1), electron heating (case 2), both ion and electron heatings (case 3), and without any heating (case 4). The statistical analysis of the data shows that the upflow normaly starts at around 350 km altitude and the occurrence seems to peak at 11 MLT. Among the four cases, the occurrence frequency of the upflow is maximized for the case 3 and then followed by case 2, case 1 and case 3, which indicates that both ion and electron heatings are associated with ion upflow. At around 500 km altitude, however, the occurrence frequency is maximized when there is no heating (case 4). We also investigate the dependence of the occurrence frequency of the upflow on Kp and F10.7 indices. The maximum occurrence frequency seems to occur at moderate geomagnetic condition (2 ≤ Kp < 5). As for the solar activity, the occurrence frequency is higher for low solar activity than for high solar activity. The results of this study suggest that the ion upflow occurring in the polar cap/cusp region is mostly driven by both ion and electron heatings.

Ion beam activation for materials analysis: Methods and application

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

Conlon, T.W.

1981-04-01

A number of ion beam methods for materials analysis have been developed using Harwell's high voltage accelerators and these are currently being exploited for applications 'in house' and in industry. Ion beam activation is a relatively new area which has exhibited exceptional growth over the last few years. Activation by ion beams to produce a single dominant radioisotope as a surface label (thin layer activation or TLA) is becoming a mature technology offering ever increasing sensitivity for surface loss measurement (currently better than 0.1 ..mu..m or 10/sup -7/ cm/sup 3/ depending on the method of measurement) and remote monitoring ofmore » inaccessible components during studies of wear/erosion/ corrosion/sputtering and the like. With the increasingly established credibility of the method has come the realisation that: (i) more complex and even multiple activation profiles can be used to extract more information on the characteristics of the surface loss process, (ii) that an analogous method can be used even on radiation sensitive materials through the newly established indirect recoil implantation process. (iii) that there is scope for treatment of truly immovable objects through the implantation of fission fragments, (iv) there is vast potential in the area of activation analysis. The current state of development of these methods which greatly extend the scope of conventional TLA will be briefly reviewed. Current applications of these and TLA in industry are discussed.« less

Regeneration of spent powdered activated carbon saturated with inorganic ions by cavitation united with ion exchange method.

PubMed

Li, Gang; Gao, Hong; Li, Yansheng; Yang, Huixin

2011-06-01

Using ion exchange resin as transfer media, regenerate powdered activated carbon (PAC) adsorbed inorganic ions by cavitation to enhance the transfer; we studied how the regeneration time and the mass ratio of resin and PAC influence the regeneration rate respectively through re-adsorption. The result showed that the effective regeneration of PAC saturated with inorganic ions was above 90% using ion exchange resin as media and transfer carrier, the quantity of PAC did not reduced but activated in the process. Copyright © 2011 The Research Centre for Eco-Environmental Sciences, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Temperature dependence of emission measure in solar X-ray plasmas. 1: Non-flaring active regions

NASA Technical Reports Server (NTRS)

Phillips, K. J. H.

1974-01-01

X-ray and ultraviolet line emission from hot, optically thin material forming coronal active regions on the sun may be described in terms of an emission measure distribution function, Phi (T). A relationship is developed between line flux and Phi (T), a theory which assumes that the electron density is a single-valued function of temperature. The sources of error involved in deriving Phi (T) from a set of line fluxes are examined in some detail. These include errors in atomic data (collisional excitation rates, assessment of other mechanisms for populating excited states of transitions, element abundances, ion concentrations, oscillator strengths) and errors in observed line fluxes arising from poorly - known instrumental responses. Two previous analyses are discussed in which Phi (T) for a non-flaring active region is derived. A least squares method of Batstone uses X-ray data of low statistical significance, a fact which appears to influence the results considerably. Two methods for finding Phi (T) ab initio are developed. The coefficients are evaluated by least squares. These two methods should have application not only to active-region plasmas, but also to hot, flare-produced plasmas.

The Empirical Low Energy Ion Flux Model for the Terrestrial Magnetosphere

NASA Technical Reports Server (NTRS)

Blackwell, William C.; Minow, Joseph I.; Diekmann, Anne M.

2007-01-01

This document includes a viewgraph presentation plus the full paper presented at the conference. The Living With a Star Ion Flux Model (IFM) is a radiation environment risk mitigation tool that provides magnetospheric ion flux values for varying geomagnetic disturbance levels in the geospace environment. IFM incorporates flux observations from the Polar and Geotail spacecraft in a single statistical flux model. IFM is an engineering environment model which predicts the proton flux not only in the magnetosphere, but also in the solar wind and magnetosheath phenomenological regions. This paper describes the ion flux databases that allows for IFM output to be correlated with the geomagnetic activity level, as represented by the Kp index.

GC-MS quantification of suspected volatile allergens in fragrances. 2. Data treatment strategies and method performances.

PubMed

Bassereau, Maud; Chaintreau, Alain; Duperrex, Stéphanie; Joulain, Daniel; Leijs, Hans; Loesing, Gerd; Owen, Neil; Sherlock, Alan; Schippa, Christine; Thorel, Pierre-Jean; Vey, Matthias

2007-01-10

The performances of the GC-MS determination of suspected allergens in fragrance concentrates have been investigated. The limit of quantification was experimentally determined (10 mg/L), and the variability was investigated for three different data treatment strategies: (1) two columns and three quantification ions; (2) two columns and one quantification ion; and (3) one column and three quantification ions. The first strategy best minimizes the risk of determination bias due to coelutions. This risk was evaluated by calculating the probability of coeluting a suspected allergen with perfume constituents exhibiting ions in common. For hydroxycitronellal, when using a two-column strategy, this may statistically occur more than once every 36 analyses for one ion or once every 144 analyses for three ions in common.

Heavy Ion Transient Characterization of a Photobit Hardened-by-Design Active Pixel Sensor Array

NASA Technical Reports Server (NTRS)

Marshall, Paul W.; Byers, Wheaton B.; Conger, Christopher; Eid, El-Sayed; Gee, George; Jones, Michael R.; Marshall, Cheryl J.; Reed, Robert; Pickel, Jim; Kniffin, Scott

2002-01-01

This paper presents heavy ion data on the single event transient (SET) response of a Photobit active pixel sensor (APS) four quadrant test chip with different radiation tolerant designs in a standard 0.35 micron CMOS process. The physical design techniques of enclosed geometry and P-channel guard rings are used to design the four N-type active photodiode pixels as described in a previous paper. Argon transient measurements on the 256 x 256 chip array as a function of incident angle show a significant variation in the amount of charge collected as well as the charge spreading dependent on the pixel type. The results are correlated with processing and design information provided by Photobit. In addition, there is a large degree of statistical variability between individual ion strikes. No latch-up is observed up to an LET of 106 MeV/mg/sq cm.

Automation and uncertainty analysis of a method for in-vivo range verification in particle therapy.

PubMed

Frey, K; Unholtz, D; Bauer, J; Debus, J; Min, C H; Bortfeld, T; Paganetti, H; Parodi, K

2014-10-07

We introduce the automation of the range difference calculation deduced from particle-irradiation induced β(+)-activity distributions with the so-called most-likely-shift approach, and evaluate its reliability via the monitoring of algorithm- and patient-specific uncertainty factors. The calculation of the range deviation is based on the minimization of the absolute profile differences in the distal part of two activity depth profiles shifted against each other. Depending on the workflow of positron emission tomography (PET)-based range verification, the two profiles under evaluation can correspond to measured and simulated distributions, or only measured data from different treatment sessions. In comparison to previous work, the proposed approach includes an automated identification of the distal region of interest for each pair of PET depth profiles and under consideration of the planned dose distribution, resulting in the optimal shift distance. Moreover, it introduces an estimate of uncertainty associated to the identified shift, which is then used as weighting factor to 'red flag' problematic large range differences. Furthermore, additional patient-specific uncertainty factors are calculated using available computed tomography (CT) data to support the range analysis. The performance of the new method for in-vivo treatment verification in the clinical routine is investigated with in-room PET images for proton therapy as well as with offline PET images for proton and carbon ion therapy. The comparison between measured PET activity distributions and predictions obtained by Monte Carlo simulations or measurements from previous treatment fractions is performed. For this purpose, a total of 15 patient datasets were analyzed, which were acquired at Massachusetts General Hospital and Heidelberg Ion-Beam Therapy Center with in-room PET and offline PET/CT scanners, respectively. Calculated range differences between the compared activity distributions are reported in a 2D map in beam-eye-view. In comparison to previously proposed approaches, the new most-likely-shift method shows more robust results for assessing in-vivo the range from strongly varying PET distributions caused by differing patient geometry, ion beam species, beam delivery techniques, PET imaging concepts and counting statistics. The additional visualization of the uncertainties and the dedicated weighting strategy contribute to the understanding of the reliability of observed range differences and the complexity in the prediction of activity distributions. The proposed method promises to offer a feasible technique for clinical routine of PET-based range verification.

Automation and uncertainty analysis of a method for in-vivo range verification in particle therapy

NASA Astrophysics Data System (ADS)

Frey, K.; Unholtz, D.; Bauer, J.; Debus, J.; Min, C. H.; Bortfeld, T.; Paganetti, H.; Parodi, K.

2014-10-01

We introduce the automation of the range difference calculation deduced from particle-irradiation induced β+-activity distributions with the so-called most-likely-shift approach, and evaluate its reliability via the monitoring of algorithm- and patient-specific uncertainty factors. The calculation of the range deviation is based on the minimization of the absolute profile differences in the distal part of two activity depth profiles shifted against each other. Depending on the workflow of positron emission tomography (PET)-based range verification, the two profiles under evaluation can correspond to measured and simulated distributions, or only measured data from different treatment sessions. In comparison to previous work, the proposed approach includes an automated identification of the distal region of interest for each pair of PET depth profiles and under consideration of the planned dose distribution, resulting in the optimal shift distance. Moreover, it introduces an estimate of uncertainty associated to the identified shift, which is then used as weighting factor to ‘red flag’ problematic large range differences. Furthermore, additional patient-specific uncertainty factors are calculated using available computed tomography (CT) data to support the range analysis. The performance of the new method for in-vivo treatment verification in the clinical routine is investigated with in-room PET images for proton therapy as well as with offline PET images for proton and carbon ion therapy. The comparison between measured PET activity distributions and predictions obtained by Monte Carlo simulations or measurements from previous treatment fractions is performed. For this purpose, a total of 15 patient datasets were analyzed, which were acquired at Massachusetts General Hospital and Heidelberg Ion-Beam Therapy Center with in-room PET and offline PET/CT scanners, respectively. Calculated range differences between the compared activity distributions are reported in a 2D map in beam-eye-view. In comparison to previously proposed approaches, the new most-likely-shift method shows more robust results for assessing in-vivo the range from strongly varying PET distributions caused by differing patient geometry, ion beam species, beam delivery techniques, PET imaging concepts and counting statistics. The additional visualization of the uncertainties and the dedicated weighting strategy contribute to the understanding of the reliability of observed range differences and the complexity in the prediction of activity distributions. The proposed method promises to offer a feasible technique for clinical routine of PET-based range verification.

Ion Trapping with Fast-Response Ion-Selective Microelectrodes Enhances Detection of Extracellular Ion Channel Gradients

PubMed Central

Messerli, Mark A.; Collis, Leon P.; Smith, Peter J.S.

2009-01-01

Previously, functional mapping of channels has been achieved by measuring the passage of net charge and of specific ions with electrophysiological and intracellular fluorescence imaging techniques. However, functional mapping of ion channels using extracellular ion-selective microelectrodes has distinct advantages over the former methods. We have developed this method through measurement of extracellular K+ gradients caused by efflux through Ca2+-activated K+ channels expressed in Chinese hamster ovary cells. We report that electrodes constructed with short columns of a mechanically stable K+-selective liquid membrane respond quickly and measure changes in local [K+] consistent with a diffusion model. When used in close proximity to the plasma membrane (<4 μm), the ISMs pose a barrier to simple diffusion, creating an ion trap. The ion trap amplifies the local change in [K+] without dramatically changing the rise or fall time of the [K+] profile. Measurement of extracellular K+ gradients from activated rSlo channels shows that rapid events, 10–55 ms, can be characterized. This method provides a noninvasive means for functional mapping of channel location and density as well as for characterizing the properties of ion channels in the plasma membrane. PMID:19217875

Colorimetric assay of copper ions based on the inhibition of peroxidase-like activity of MoS2 nanosheets

NASA Astrophysics Data System (ADS)

Chen, Huan; Li, Zhihong; Liu, Xueting; Zhong, Jianhai; Lin, Tianran; Guo, Liangqia; Fu, Fengfu

2017-10-01

The peroxidase-like catalytic activity of MoS2 nanomaterials has been utilized for colorimetric bioassays and medical diagnostics. However, the application of peroxidase-like catalytic activity of MoS2 nanomaterials in environmental analysis was seldom explored. Herein, copper ions were found to inhibit the peroxidase-like catalytic activity of MoS2 nanosheets, which can catalyze the oxidation of 3, 3‧, 5, 5‧-tetramethylbenzidine by H2O2 to produce a colorimetric product. Based on this finding, a simple sensitive colorimetric method for the detection of copper ions was developed. In the presence of copper ions, the absorbance and color of the solution decreased with the increasing concentration of copper ions. The color of the solution can be used to semi-quantitative on-site assay of copper ions by naked eyes. A linear relationship between the absorbance and the concentration of copper ions was observed in the range of 0.4-4.0 μmol L- 1 with a detection limit of 92 nmol L- 1, which was much lower than the maximum contaminant level of copper in drinking water legislated by the Environmental Protection Agency of USA and the World Health Organization. The method was applied to detect copper ions in environmental water samples with satisfactory results.

Energy density of ionospheric and solar wind origin ions in the near-Earth magnetotail during substorms

NASA Technical Reports Server (NTRS)

Daglis, Loannis A.; Livi, Stefano; Sarris, Emmanuel T.; Wilken, Berend

1994-01-01

Comprehensive energy density studies provide an important measure of the participation of various sources in energization processes and have been relatively rare in the literature. We present a statistical study of the energy density of the near-Earth magnetotail major ions (H(+), O(+), He(++), He(+)) during substorm expansion phase and discuss its implications for the solar wind/magnetosphere/ionosphere coupling. Our aim is to examine the relation between auroral activity and the particle energization during substorms through the correlation between the AE indices and the energy density of the major magnetospheric ions. The data we used here were collected by the charge-energy-mass (CHEM) spectrometer on board the Active Magnetospheric Particle Trace Explorer (AMPTE)/Charge Composition Explorer (CCE) satellite in the near-equatorial nightside magnetosphere, at geocentric distances approximately 7 to 9 R(sub E). CHEM provided the opportunity to conduct the first statistical study of energy density in the near-Earth magnetotail with multispecies particle data extending into the higher energy range (greater than or equal to 20 keV/E). the use of 1-min AE indices in this study should be emphasized, as the use (in previous statistical studies) of the (3-hour) Kp index or of long-time averages of AE indices essentially smoothed out all the information on substorms. Most distinct feature of our study is the excellent correlation of O(+) energy density with the AE index, in contrast with the remarkably poor He(++) energy density - AE index correlation. Furthermore, we examined the relation of the ion energy density to the electrojet activity during substorm growth phase. The O(+) energy density is strongly correlated with the pre-onset AU index, that is the eastward electrojet intensity, which represents the growth phase current system. Our investigation shows that the near-Earth magnetotail is increasingly fed with energetic ionospheric ions during periods of enhanced dissipation of auroral currents. The participation of the ionosphere in the substorm energization processes seems to be closely, although not solely, associated with the solar wind/magnetosphere coupling. That is, the ionosphere influences actively the substorm energization processes by responding to the increased solar wind/magnetosphere coupling as well as to the unloading dissipation of stored energy, with the increased feeding of new material into the magnetosphere.

Statistical correlation of low-altitude ENA emissions with geomagnetic activity from IMAGE/MENA observations

NASA Astrophysics Data System (ADS)

Mackler, D. A.; Jahn, J.-M.; Perez, J. D.; Pollock, C. J.; Valek, P. W.

2016-03-01

Plasma sheet particles transported Earthward during times of active magnetospheric convection can interact with exospheric/thermospheric neutrals through charge exchange. The resulting Energetic Neutral Atoms (ENAs) are free to leave the influence of the magnetosphere and can be remotely detected. ENAs associated with low-altitude (300-800 km) ion precipitation in the high-latitude atmosphere/ionosphere are termed low-altitude emissions (LAEs). Remotely observed LAEs are highly nonisotropic in velocity space such that the pitch angle distribution at the time of charge exchange is near 90°. The Geomagnetic Emission Cone of LAEs can be mapped spatially, showing where proton energy is deposited during times of varying geomagnetic activity. In this study we present a statistical look at the correlation between LAE flux (intensity and location) and geomagnetic activity. The LAE data are from the MENA imager on the IMAGE satellite over the declining phase of solar cycle 23 (2000-2005). The SYM-H, AE, and Kp indices are used to describe geomagnetic activity. The goal of the study is to evaluate properties of LAEs in ENA images and determine if those images can be used to infer properties of ion precipitation. Results indicate a general positive correlation to LAE flux for all three indices, with the SYM-H showing the greatest sensitivity. The magnetic local time distribution of LAEs is centered about midnight and spreads with increasing activity. The invariant latitude for all indices has a slightly negative correlation. The combined results indicate LAE behavior similar to that of ion precipitation.

Statistical Correlation of Low-Altitude ENA Emissions with Geomagnetic Activity from IMAGE MENA Observations

NASA Technical Reports Server (NTRS)

Mackler, D. A.; Jahn, J.- M.; Perez, J. D.; Pollock, C. J.; Valek, P. W.

2016-01-01

Plasma sheet particles transported Earthward during times of active magnetospheric convection can interact with exospheric/thermospheric neutrals through charge exchange. The resulting Energetic Neutral Atoms (ENAs) are free to leave the influence of the magnetosphere and can be remotely detected. ENAs associated with low-altitude (300-800 km) ion precipitation in the high-latitude atmosphere/ionosphere are termed low-altitude emissions (LAEs). Remotely observed LAEs are highly nonisotropic in velocity space such that the pitch angle distribution at the time of charge exchange is near 90deg. The Geomagnetic Emission Cone of LAEs can be mapped spatially, showing where proton energy is deposited during times of varying geomagnetic activity. In this study we present a statistical look at the correlation between LAE flux (intensity and location) and geomagnetic activity. The LAE data are from the MENA imager on the IMAGE satellite over the declining phase of solar cycle 23 (2000-2005). The SYM-H, AE, and Kp indices are used to describe geomagnetic activity. The goal of the study is to evaluate properties of LAEs in ENA images and determine if those images can be used to infer properties of ion precipitation. Results indicate a general positive correlation to LAE flux for all three indices, with the SYM-H showing the greatest sensitivity. The magnetic local time distribution of LAEs is centered about midnight and spreads with increasing activity. The invariant latitude for all indices has a slightly negative correlation. The combined results indicate LAE behavior similar to that of ion precipitation.

IBiSA_Tools: A Computational Toolkit for Ion-Binding State Analysis in Molecular Dynamics Trajectories of Ion Channels.

PubMed

Kasahara, Kota; Kinoshita, Kengo

2016-01-01

Ion conduction mechanisms of ion channels are a long-standing conundrum. Although the molecular dynamics (MD) method has been extensively used to simulate ion conduction dynamics at the atomic level, analysis and interpretation of MD results are not straightforward due to complexity of the dynamics. In our previous reports, we proposed an analytical method called ion-binding state analysis to scrutinize and summarize ion conduction mechanisms by taking advantage of a variety of analytical protocols, e.g., the complex network analysis, sequence alignment, and hierarchical clustering. This approach effectively revealed the ion conduction mechanisms and their dependence on the conditions, i.e., ion concentration and membrane voltage. Here, we present an easy-to-use computational toolkit for ion-binding state analysis, called IBiSA_tools. This toolkit consists of a C++ program and a series of Python and R scripts. From the trajectory file of MD simulations and a structure file, users can generate several images and statistics of ion conduction processes. A complex network named ion-binding state graph is generated in a standard graph format (graph modeling language; GML), which can be visualized by standard network analyzers such as Cytoscape. As a tutorial, a trajectory of a 50 ns MD simulation of the Kv1.2 channel is also distributed with the toolkit. Users can trace the entire process of ion-binding state analysis step by step. The novel method for analysis of ion conduction mechanisms of ion channels can be easily used by means of IBiSA_tools. This software is distributed under an open source license at the following URL: http://www.ritsumei.ac.jp/~ktkshr/ibisa_tools/.

Sorption studies of nickel ions onto activated carbon

NASA Astrophysics Data System (ADS)

Joshi, Parth; Vyas, Meet; Patel, Chirag

2018-05-01

Activated porous carbons are made through pyrolysis and activation of carbonaceous natural as well as synthetic precursors. The use of low-cost activated carbon derived from azadirachta indica, an agricultural waste material, has been investigated as a replacement for the current expensive methods of removing nickel ions from wastewater. The temperature variation study showed that the nickel ions adsorption is endothermic and spontaneous with increased randomness at the solid solution interface. Significant effect on adsorption was observed on varying the pH of the nickel ion solutions. Therefore, this study revealed that azadirachta indica can serve as a good source of activated carbon with multiple and simultaneous metal ions removing potentials and may serve as a better replacement for commercial activated carbons in applications that warrant their use.

Statistical error in simulations of Poisson processes: Example of diffusion in solids

NASA Astrophysics Data System (ADS)

Nilsson, Johan O.; Leetmaa, Mikael; Vekilova, Olga Yu.; Simak, Sergei I.; Skorodumova, Natalia V.

2016-08-01

Simulations of diffusion in solids often produce poor statistics of diffusion events. We present an analytical expression for the statistical error in ion conductivity obtained in such simulations. The error expression is not restricted to any computational method in particular, but valid in the context of simulation of Poisson processes in general. This analytical error expression is verified numerically for the case of Gd-doped ceria by running a large number of kinetic Monte Carlo calculations.

Hydrogen scrambling in ethane induced by intense laser fields: statistical analysis of coincidence events.

PubMed

Kanya, Reika; Kudou, Tatsuya; Schirmel, Nora; Miura, Shun; Weitzel, Karl-Michael; Hoshina, Kennosuke; Yamanouchi, Kaoru

2012-05-28

Two-body Coulomb explosion processes of ethane (CH(3)CH(3)) and its isotopomers (CD(3)CD(3) and CH(3)CD(3)) induced by an intense laser field (800 nm, 1.0 × 10(14) W/cm(2)) with three different pulse durations (40 fs, 80 fs, and 120 fs) are investigated by a coincidence momentum imaging method. On the basis of statistical treatment of the coincidence data, the contributions from false coincidence events are estimated and the relative yields of the decomposition pathways are determined with sufficiently small uncertainties. The branching ratios of the two body decomposition pathways of CH(3)CD(3) from which triatomic hydrogen molecular ions (H(3)(+), H(2)D(+), HD(2)(+), D(3)(+)) are ejected show that protons and deuterons within CH(3)CD(3) are scrambled almost statistically prior to the ejection of a triatomic hydrogen molecular ion. The branching ratios were estimated by statistical Rice-Ramsperger-Kassel-Marcus calculations by assuming a transition state with a hindered-rotation of a diatomic hydrogen moiety. The hydrogen scrambling dynamics followed by the two body decomposition processes are discussed also by using the anisotropies in the ejection directions of the fragment ions and the kinetic energy distribution of the two body decomposition pathways.

Geant4 simulation for a study of a possible use of carbon ions pencil beam for the treatment of ocular melanomas with the active scanning system at CNAO Centre

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

Farina, E.; Piersimoni, P.; Riccardi, C.

The aim of this work is to validate the Geant4 application reproducing the CNAO (National Centre for Oncological Hadrontherapy) beamline and to study of a possible use of carbon ion pencil beams for the treatment of ocular melanomas at the CNAO Centre. The promising aspect of carbon ions radiotherapy for the treatment of this disease lies in its superior relative radiobiological effectiveness (RBE). The Monte Carlo Geant4 toolkit is used to simulate the complete CNAO extraction beamline, with the active and passive components along it. A human eye modeled detector, including a realistic target tumor volume, is used as target.more » Cross check with previous studies at CNAO using protons allows comparisons on possible benefits on using such a technique with respect to proton beams. Before the eye-detector irradiation a validation of the Geant4 simulation with CNAO experimental data is carried out with both carbon ions and protons. Important beam parameters such as the transverse FWHM and scanned radiation field 's uniformity are tested within the simulation and compared with experimental measurements at CNAO Centre. The physical processes involved in secondary particles generation by carbon ions and protons in the eye-detector are reproduced to take into account the additional dose to the primary beam given to irradiated eye's tissues. A study of beam shaping is carried out to produce a uniform 3D dose distribution (shaped on the tumor) by the use of a spread out Bragg peak. The eye-detector is then irradiated through a two dimensional transverse beam scan at different depths. In the use case the eye-detector is rotated of an angle of 40 deg. in the vertical direction, in order to mis-align the tumor from healthy tissues in front of it. The treatment uniformity on the tumor in the eye-detector is tested. For a more quantitative description of the deposited dose in the eye-detector and for the evaluation of the ratio between the dose deposited in the tumor and the other eye components, proton and carbon DVHs (Dose Volume Histograms) are compared. A high statistics simulated sample is used to minimize statistical errors. In the simulation a new particle generation method is developed in order to reproduce the experimental treatment plan by importing the DICOM RT-PLAN file, which contains all the information on the irradiation geometries and sequences (treatment plan parameters). Conclusions Even further validations must be done, the good results so far obtained by this work point out and confirm the possibility of using carbon ions delivered with active scanning beams to treat the ocular melanoma.« less

Ion temperature of low-latitude and mid-latitude topside ionosphere for high solar activity

NASA Astrophysics Data System (ADS)

Cai, Lei; Zhang, Donghe; Hao, Yongqiang; Xiao, Zuo

The International Reference Ionosphere (IRI) describes the day and night latitudinal variation of ion temperature at 430 km with two functions using AEROS satellite measurements. The ion temperature at this height as one of the boundary parameters is used to make the ion temperature profile represented by a Booker-function. Since the low-latitude and mid-latitude topside ionospheric ion temperature has been measured with the Ionopsheric Plasma and Elec-trodynamics Instrument (IPEI) onboard Rocsat-1 satellite at about 600 km during the high solar activity years from 2000 to 2002, a new boundary at 600 km can be set for the ion temperature modeling. The latitudinal variation of ion temperature could be approximated by Epstein family of functions for different local time sectors. Furthermore, the longitudinal and seasonal variations are also taken into account to decide the fitting parameters. Only the magnetic quiet time data (Kp <3) are used for the statistical study. The results are compared with IRI-2007 model. In addition, events when Kp >4 are also analyzed to feature the ion temperature characteristic during the magnetic disturbance time condition. Combined with the IPEI field-aligned ion flow velocities and the plasma temperatures measured by the Special Sensors-Ions, Electrons, and Scintillation (SSIES) thermal plasma analysis package on board the DMSP F13 and F15 satellites, several feasible ion heating and heat loss mechanisms are summarized to interpret the ion temperature crests and toughs for different local time sectors, seasonal and longitudinal variations.

Total ion chromatographic fingerprints combined with chemometrics and mass defect filter to predict antitumor components of Picrasma quassioids.

PubMed

Shi, Yuanyuan; Zhan, Hao; Zhong, Liuyi; Yan, Fangrong; Feng, Feng; Liu, Wenyuan; Xie, Ning

2016-07-01

A method of total ion chromatogram combined with chemometrics and mass defect filter was established for the prediction of active ingredients in Picrasma quassioides samples. The total ion chromatogram data of 28 batches were pretreated with wavelet transformation and correlation optimized warping to correct baseline drifts and retention time shifts. Then partial least squares regression was applied to construct a regression model to bridge the total ion chromatogram fingerprints and the antitumor activity of P. quassioides. Finally, the regression coefficients were used to predict the active peaks in total ion chromatogram fingerprints. In this strategy, mass defect filter was employed to classify and characterize the active peaks from a chemical point of view. A total of 17 constituents were predicted as the potential active compounds, 16 of which were identified as alkaloids by this developed approach. The results showed that the established method was not only simple and easy to operate, but also suitable to predict ultraviolet undetectable compounds and provide chemical information for the prediction of active compounds in herbs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Statistical survey of pitch angle distributions in core (0-50 eV) ions from Dynamics Explorer 1: Outflow in the auroral zone, polar cap, and cusp

NASA Technical Reports Server (NTRS)

Giles, B. L.; Chappell, C. R.; Moore, T. E.; Comfort, R. H.; Waite, J. H., Jr.

1994-01-01

Core (0-50 eV) ion pitch angle measurements from the retarding ion mass spectrometer on Dynamics Explorer 1 are examined with respect to magnetic disturbance, invariant latitude, magnetic local time, and altitude for ions H(+), He(+), O(+), M/Z = 2 (D(+) or He(++)), and O(++). Included are outflow events in the auroral zone, polar cap, and cusp, separated into altitude regions below and above 3 R(sub E). In addition to the customary division into beam, conic, and upwelling distributions, the high-latitude observations fall into three categories corresponding to ion bulk speeds that are (1) less than, (2) comparable to, or (3) faster than that of the spacecraft. This separation, along with the altitude partition, serves to identify conditions under which ionospheric source ions are gravita- tionally bound and when they are more energetic and able to escape to the outer magnetosphere. Features of the cleft ion fountain inferred from single event studies are clearly identifiable in the statistical results. In addition, it is found that the dayside pre-noon cleft is a dayside afternoon cleft, or auroral zone, becomes an additional source for increased activity. The auroral oval as a whole appears to be a steady source of escape velocity H(+), a steady source of escape velocity He(+) ions for the dusk sector, and a source of escape velocity heavy ions for dusk local times primarily during increased activity. The polar cap above the auroral zone is a consistent source of low-energy ions, although only the lighter mass particles appear to have sufficient velocity, on average, to escape to higher altitudes. The observations support two concepts for outflow: (1) The cleft ion fountain consists of ionospheric plasma of 1-20 eV energy streaming upward into the magnetosphere where high-latitude convection electric fields cause poleward dispersion. (2) The auroral ion fountain involves field-aligned beams which flow out along auroral latitude field lines; and, in addition, for late afternoon local times, they experience additional acceleration such that the ion energy distribution tends to exceed the detection range of the instrument (greater than 50-60 eV).

Helium abundance and speed difference between helium ions and protons in the solar wind from coronal holes, active regions, and quiet Sun

NASA Astrophysics Data System (ADS)

Fu, Hui; Madjarska, M. S.; Li, Bo; Xia, LiDong; Huang, ZhengHua

2018-05-01

Two main models have been developed to explain the mechanisms of release, heating and acceleration of the nascent solar wind, the wave-turbulence-driven (WTD) models and reconnection-loop-opening (RLO) models, in which the plasma release processes are fundamentally different. Given that the statistical observational properties of helium ions produced in magnetically diverse solar regions could provide valuable information for the solar wind modelling, we examine the statistical properties of the helium abundance (AHe) and the speed difference between helium ions and protons (vαp) for coronal holes (CHs), active regions (ARs) and the quiet Sun (QS). We find bimodal distributions in the space of AHeand vαp/vA(where vA is the local Alfvén speed) for the solar wind as a whole. The CH wind measurements are concentrated at higher AHeand vαp/vAvalues with a smaller AHedistribution range, while the AR and QS wind is associated with lower AHeand vαp/vA, and a larger AHedistribution range. The magnetic diversity of the source regions and the physical processes related to it are possibly responsible for the different properties of AHeand vαp/vA. The statistical results suggest that the two solar wind generation mechanisms, WTD and RLO, work in parallel in all solar wind source regions. In CH regions WTD plays a major role, whereas the RLO mechanism is more important in AR and QS.

Spatial distribution of Ion Precipitation into the High Latitude Inner Magnetosphere using Energetic Neutral Atom (ENA) images over the Declining Phase of Solar Cycle 23

NASA Astrophysics Data System (ADS)

Mackler, D. A.; Jahn, J.; Pollock, C. J.

2013-12-01

Plamasheet particles transported Earthward during times of active magnetic convection can interact with thermospheric neutrals through charge exchange. The resulting ENAs are free to leave the influence of the magnetosphere and can be remotely detected. ENAs associated with low altitude (300-800 km) ion precipitation in the high latitude inner mangetosphere are termed Low Altitude Emissions (LAEs). LAEs are highly non-isotropic in velocity space such that the pitch angle distribution at the time of charge exchange is near 90 degrees. The observed Geomagnetic Emission Cone (GEC) of LAEs can be mapped spatially, showing where energy is deposited during storm/sub-storm times. In this study we present a statistical look at the particulate albedo of LAEs over the declining phase of solar cycle 23. The particulate albedo is defined as the ratio of the emitting energetic neutrals to the precipitating ions. The precipitating ion differential directional flux maps are built up from combining NOAA 14/15/16 TED and DMSP 13/14/15 SSJ4 data. Low altitude ENA signatures are identified manually using IMAGE/MENA images and selected out. The geomagnetic location of each pixel representing a LAE source region in the neutral images is computed assuming an altitude of 650 km. Before taking the ratio of the resulting flux of neutrals and ions, the Magnetic Local Time (MLT) and Invariant Latitude (IL) bin sizes are changed such that each has less than 20% error in counting statistics. The particulate albedo maps are then evaluated over changes in geomagnetic storm activity.

On Ion Clusters in the Interstellar Gas

NASA Technical Reports Server (NTRS)

Donn, Bertram

1960-01-01

In a recent paper V.I. Krassovsky (1958) predicts the occurrence of clusters of large numbers of atoms and molecules around ions in the interstellar gas. He then proposes a number of physicochemical processes that would be considerably enhanced by the high particle density in such clusters. In particular, he suggests that absorption by negative ions formed in the clusters would account for the interstellar extinction without any necessity for the presence of grains. Because of the important consequences that ion clusters could have, it is necessary to examine their occurrence more fully. This note re-examines the formation of ion clusters in space and shows that even ion-molecule pairs are essentially non-existent. Ion clusters have been considered by Bloom and Margenau (1952) from the same point of view as that used by Krassovsky, whose basic reference (Joffe and Semenov 1933) unfortunately is not available. A different approach has been used by Eyring, Hirschfelder, and Taylor (1936) following the methods of chemical equilibrium. Both the references cited here enable one to conclude that clustering is negligible. Therefore, the treatment of Eyring et al. is more appropriate than the method of Bloom and Margenau, which depends on the statistical equilibrium of an atmosphere in a force field.

How ions affect the structure of water.

PubMed

Hribar, Barbara; Southall, Noel T; Vlachy, Vojko; Dill, Ken A

2002-10-16

We model ion solvation in water. We use the MB model of water, a simple two-dimensional statistical mechanical model in which waters are represented as Lennard-Jones disks having Gaussian hydrogen-bonding arms. We introduce a charge dipole into MB waters. We perform (NPT) Monte Carlo simulations to explore how water molecules are organized around ions and around nonpolar solutes in salt solutions. The model gives good qualitative agreement with experiments, including Jones-Dole viscosity B coefficients, Samoilov and Hirata ion hydration activation energies, ion solvation thermodynamics, and Setschenow coefficients for Hofmeister series ions, which describe the salt concentration dependence of the solubilities of hydrophobic solutes. The two main ideas captured here are (1) that charge densities govern the interactions of ions with water, and (2) that a balance of forces determines water structure: electrostatics (water's dipole interacting with ions) and hydrogen bonding (water interacting with neighboring waters). Small ions (kosmotropes) have high charge densities so they cause strong electrostatic ordering of nearby waters, breaking hydrogen bonds. In contrast, large ions (chaotropes) have low charge densities, and surrounding water molecules are largely hydrogen bonded.

Ion-pairing HPLC methods to determine EDTA and DTPA in small molecule and biological pharmaceutical formulations.

PubMed

Wang, George; Tomasella, Frank P

2016-06-01

Ion-pairing high-performance liquid chromatography-ultraviolet (HPLC-UV) methods were developed to determine two commonly used chelating agents, ethylenediaminetetraacetic acid (EDTA) in Abilify® (a small molecule drug with aripiprazole as the active pharmaceutical ingredient) oral solution and diethylenetriaminepentaacetic acid (DTPA) in Yervoy® (a monoclonal antibody drug with ipilimumab as the active pharmaceutical ingredient) intravenous formulation. Since the analytes, EDTA and DTPA, do not contain chromophores, transition metal ions (Cu 2+ , Fe 3+ ) which generate highly stable metallocomplexes with the chelating agents were added into the sample preparation to enhance UV detection. The use of metallocomplexes with ion-pairing chromatography provides the ability to achieve the desired sensitivity and selectivity in the development of the method. Specifically, the sample preparation involving metallocomplex formation allowed sensitive UV detection. Copper was utilized for the determination of EDTA and iron was utilized for the determination of DTPA. In the case of EDTA, a gradient mobile phase separated the components of the formulation from the analyte. In the method for DTPA, the active drug substance, ipilimumab, was eluted in the void. In addition, the optimization of the concentration of the ion-pairing reagent was discussed as a means of enhancing the retention of the aminopolycarboxylic acids (APCAs) including EDTA and DTPA and the specificity of the method. The analytical method development was designed based on the chromatographic properties of the analytes, the nature of the sample matrix and the intended purpose of the method. Validation data were presented for the two methods. Finally, both methods were successfully utilized in determining the fate of the chelates.

A serially coupled stationary phase method for the determination of urinary 8-oxo-7,8-dihydro-2′-deoxyguanosine by liquid chromatography ion trap tandem mass spectrometry☆

PubMed Central

Rota, Cristina; Cristoni, Simone; Trenti, Tommaso; Cariani, Elisabetta

2013-01-01

Oxidative attack to DNA is of particular interest since DNA modifications can lead to heritable mutations. The most studied product of DNA oxidation is 8-oxo-7,8-dihydro-2′-deoxyguanosine (8-oxodG). While 8-oxodG determination in blood and tissue cells is prone to artifacts, its measurement in urine employing liquid chromatography tandem mass spectrometry (LC-MS/MS) has gained more and more interest for increased reliability. LC-MS/MS can be affected by matrix effects and this is particularly true when ion trap is used as MS analyzer, due to ion accumulation in the trap and related space charge effect. In the present work, we have developed a LC-MS/MS method where the combination of cation exchange and reverse phase solid phases resulted in LC separation optimization. This together with the employment of an isotopically labeled internal standard, allowed the usage of ion trap LC-MS/MS, typically not employed for quantitative measurement in biological samples, for the measurement of 8-oxodG in urine samples from control populations. Four different urine matrices were employed for method validation. Limit of quantitation was set at least at 0.5 ng/ml. While analyzing urine samples from healthy volunteers, 8-oxodG levels reported as ng/ml were statistically different comparing males with females (p<0.05, Mann Whitney test); while comparing results normalized for creatinine no statistical significant difference was found. Mean urinary 8-oxodG level found in healthy volunteers was 1.16±0.46 nmol/mmol creatinine. The present method by enhancing at best the chromatographic performances allows the usage of ion trap LC-MS/MS for the measurement of 8-oxodG in urine samples from control populations. PMID:24251117

The influence of dopants on the nucleation of semiconductor nanocrystals from homogeneous solution.

PubMed

Bryan, J Daniel; Schwartz, Dana A; Gamelin, Daniel R

2005-09-01

The influence of Co2+ ions on the homogeneous nucleation of ZnO is examined. Using electronic absorption spectroscopy as a dopant-specific in-situ spectroscopic probe, Co2+ ions are found to be quantitatively excluded from the ZnO critical nuclei but incorporated nearly statistically in the subsequent growth layers, resulting in crystallites with pure ZnO cores and Zn(1-x)Co(x)O shells. Strong inhibition of ZnO nucleation by Co2+ ions is also observed. These results are explained using the classical nucleation model. Statistical analysis of nucleation inhibition data allows estimation of the critical nucleus size as 25 +/- 4 Zn2+ ions. Bulk calorimetric data allow the activation barrier for ZnO nucleation containing a single Co2+ impurity to be estimated as 5.75 kcal/mol cluster greater than that of pure ZnO, corresponding to a 1.5 x 10(4)-fold reduction in the ZnO nucleation rate constant upon introduction of a single Co2+ impurity. These data and analysis offer a rare view into the role of composition in homogeneous nucleation processes, and specifically address recent experiments targeting formation of semiconductor quantum dots containing single magnetic impurity ions at their precise centers.

The impact of gallium content on degradation, bioactivity, and antibacterial potency of zinc borate bioactive glass.

PubMed

Rahimnejad Yazdi, Alireza; Torkan, Lawrence; Stone, Wendy; Towler, Mark R

2018-01-01

Zinc borate glasses with increasing gallium content (0, 2.5, 5, 10, and 15 Wt % Ga) were synthesized and their degradation, bioactivity in simulated body fluid (SBF), and antibacterial properties were investigated. ICP measurements showed that increased gallium content in the glass resulted in increased gallium ion release and decreased release of other ions. Degradability declined with the addition of gallium, indicating the formation of more symmetric BO 3 units with three bridging oxygens and asymmetric BO 3 units with two bridging oxygens in the glass network as the gallium content in the series increased. The formation of amorphous CaP on the glass surface after 24 h of incubation in SBF was confirmed by SEM, XRD, and FTIR analyses. Finally, antibacterial evaluation of the glasses using the agar disc-diffusion method demonstrated that the addition of gallium increased the antibacterial potency of the glasses against P. aeruginosa (Gram-negative) while decreasing it against S. epidermidis (Gram-positive); considering the ion release trends, this indicates that the gallium ion is responsible for the glasses' antibacterial behavior against P. aeruginosa while the zinc ion controls the antibacterial activity against S. epidermidis. The statistical significance of the observed trends in the measurements were confirmed by applying the Kruskal-Wallis H Test. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 367-376, 2018. © 2017 Wiley Periodicals, Inc.

Methods and apparatuses for preparing a surface to have catalytic activity

DOEpatents

Cooks, Robert G [West Lafayette, IN; Peng, Wen-Ping [West Lafayette, IN; Ouyang, Zheng [West Lafayette, IN; Goodwin, Michael P [West Lafayette, IN

2011-03-22

The invention provides methods and apparatuses that utilize mass spectrometry for preparation of a surface to have catalytic activity through molecular soft-landing of mass selected ions. Mass spectrometry is used to generate combinations of atoms in a particular geometrical arrangement, and ion soft-landing selects this molecular entity or combination of entities and gently deposits the entity or combination intact onto a surface.

Recent Development on O(+) - O Collision Frequency and Ionosphere-Thermosphere Coupling

NASA Technical Reports Server (NTRS)

Omidvar, K.; Menard, R.

1999-01-01

The collision frequency between an oxygen atom and its singly charged ion controls the momentum transfer between the ionosphere and the thermosphere. There has been a long standing discrepancy, extending over a decade, between the theoretical and empirical determination of this frequency: the empirical value of this frequency exceeded the theoretical value by a factor of 1.7. Recent improvements in theory were obtained by using accurate oxygen ion-oxygen atom potential energy curves, and partial wave quantum mechanical calculations. We now have applied three independent statistical methods to the observational data, obtained at the MIT/Millstone Hill Observatory, consisting of two sets A and B. These methods give results consistent with each other, and together with the recent theoretical improvements, bring the ratio close to unity, as it should be. The three statistical methods lead to an average for the ratio of the empirical to the theoretical values equal to 0.98, with an uncertainty of +/-8%, resolving the old discrepancy between theory and observation. The Hines statistics, and the lognormal distribution statistics, both give lower and upper bounds for the Set A equal to 0.89 and 1.02, respectively. The related bounds for the Set B are 1.06 and 1.17. The average values of these bounds thus bracket the ideal value of the ratio which should be equal to unity. The main source of uncertainties are errors in the profile of the oxygen atom density, which is of the order of 11%. An alternative method to find the oxygen atom density is being suggested.

Transmission measurement based on STM observation to detect the penetration depth of low-energy heavy ions in botanic samples.

PubMed

Liu, Feng; Wang, Yugang; Xue, Jianming; Wang, Sixue; Du, Guanhua; Zhao, Weijiang

2003-02-01

The penetration depth of low-energy heavy ions in botanic samples was detected with a new transmission measurement. In the measurement, highly oriented pyrolytic graphite (HOPG) pieces were placed behind the botanic samples with certain thickness. During the irradiation of heavy ions with energy of tens of keV, the energetic particles transmitted from those samples were received by the HOPG pieces. After irradiation, scanning tunneling microscope (STM) was applied to observe protrusion-like damage induced by these transmitted ions on the surface of the HOPG. The statistical average number density of protrusions and the minimum transmission rate of the low-energy heavy ions can be obtained. The detection efficiency of the new method for low-energy heavy ions was about 0.1-1 and the background in the measurement can be reduced to as low as 1.0 x 10(8) protrusions/cm2. With this method, the penetration depth of the energetic particles was detected to be no less than 60 micrometers in kidney bean slices when the slices were irradiated by 100 keVAr+ ion at the fluence of 5 x 10(16) ions/cm2. c2002 Elsevier Science Ltd. All rights reserved.

Transmission measurement based on STM observation to detect the penetration depth of low-energy heavy ions in botanic samples

NASA Technical Reports Server (NTRS)

Liu, Feng; Wang, Yugang; Xue, Jianming; Wang, Sixue; Du, Guanhua; Zhao, Weijiang

2003-01-01

The penetration depth of low-energy heavy ions in botanic samples was detected with a new transmission measurement. In the measurement, highly oriented pyrolytic graphite (HOPG) pieces were placed behind the botanic samples with certain thickness. During the irradiation of heavy ions with energy of tens of keV, the energetic particles transmitted from those samples were received by the HOPG pieces. After irradiation, scanning tunneling microscope (STM) was applied to observe protrusion-like damage induced by these transmitted ions on the surface of the HOPG. The statistical average number density of protrusions and the minimum transmission rate of the low-energy heavy ions can be obtained. The detection efficiency of the new method for low-energy heavy ions was about 0.1-1 and the background in the measurement can be reduced to as low as 1.0 x 10(8) protrusions/cm2. With this method, the penetration depth of the energetic particles was detected to be no less than 60 micrometers in kidney bean slices when the slices were irradiated by 100 keVAr+ ion at the fluence of 5 x 10(16) ions/cm2. c2002 Elsevier Science Ltd. All rights reserved.

Comparison of the incipient lesion enamel fluoride uptake from various prescription and OTC fluoride toothpastes and gels.

PubMed

Schemehorn, B R; DiMarino, J C; Movahed, N

2014-01-01

The objective of this in vitro study was to compare the fluoride uptake into incipient enamel lesions of a novel 970 ppm F- ion SnF2 over-the-counter (OTC) gel (Enamelon Preventive Treatment Gel) and a novel 1150 ppm F- ion OTC toothpaste (Enamelon), each delivering amorphous calcium phosphate (ACP), to the uptake from two different prescription strength, 5000 ppm F- ion dentifrices containing tri-calcium phosphate (TCP) and a prescription 900 ppm F- ion paste containing casein phosphopeptide-amorphous calcium phosphate (CPP-ACP). The test procedure followed method #40 in the US-FDA Anticaries Drug Products for OTC Human Use, Final Monograph testing procedures. Eight sets of twelve incisor enamel cores were mounted in Plexiglas rods and the exposed surfaces were polished. The indigenous fluoride levels of each specimen were determined prior to treatment. The treatments were performed using slurries of a negative control (water) and the following products applied to a set of sound enamel cores: 5000 ppm F- ion, sodium fluoride (NaF) prescription (Rx) dentifrice "A" containing TCP; 5000 ppm F- ion, NaF Rx dentifrice "B" containing TCP; 900 ppm F- ion, NaF Rx paste with CPP-ACP; 1150 ppm F- ion, NaF OTC toothpaste; 1150 ppm F- ion, stannous fluoride (SnF2) OTC toothpaste delivering ACP (Enamelon); 1100 ppm F- ion, SnF2 OTC toothpaste; and 970 ppm F- ion, SnF2 OTC gel delivering ACP (Enamelon Preventive Treatment Gel). The twelve specimens of each group were immersed into 25 ml of their assigned slurry with constant stirring (350 rpm) for 30 minutes. Following treatment, one layer of enamel was removed from each specimen and analyzed for fluoride and calcium. The pre-treatment fluoride (indigenous) level of each specimen was subtracted from the post-treatment value to determine the change in enamel fluoride due to the test treatment. The increase in the average fluoride uptake for treated enamel cores was: 10,263 ± 295 ppm for the 970 ppm F- ion, Enamelon Preventive Treatment Gel; 7,016 ± 353 ppm for the 1150 ppm F- ion Enamelon Toothpaste; 4,138 ± 120 ppm for the 5000 ppm F- ion, NaF prescription dentifrice "A" with TCP; 3801 ± 121 ppm for the 5000 ppm F- ion, NaF prescription dentifrice "B" with TCP; 2,647 ± 57 ppm for the 1100 ppm F- ion, SnF2 OTC toothpaste; 1470 ± 40 ppm for the 1150 ppm F- ion, NaF OTC toothpaste; and 316 ± 9 ppm for the 900 ppm F- ion, NaF paste with CPP-ACP. The differences among all the products tested were statistically significant (p < 0.05), except for the two 5000 ppm F- ion products with TCP that were not statistically different from one another, and the 900 ppm F ion, NaF paste with CPP-ACP that was not statistically different from the negative water control. The Enamelon products (970 ppm and 150 ppm F ion, SnF2OTC dentifrices) delivering ACP provide statistically significantly more fluoride to incipient enamel lesions than two prescription strength 5000 ppm F- ion toothpastes containing TCP, the 900 ppm F- ion prescription paste containing CPP-ACP, and the other OTC toothpastes compared in this study.

Electrode-active material for electrochemical batteries and method of preparation

DOEpatents

Varma, R.

1983-11-07

A battery electrode material comprises a non-stoichiometric electrode-active material which forms a redox pair with the battery electrolyte, an electrically conductive polymer present in the range of from about 2% by weight to about 5% by weight of the electrode-active material, and a binder. The conductive polymer provides improved proton or ion conductivity and is a ligand resulting in metal ion or negative ion vacancies of less than about 0.1 atom percent. Specific electrodes of nickel and lead are disclosed.

Electrode-active material for electrochemical batteries and method of preparation

DOEpatents

Varma, Ravi

1987-01-01

A battery electrode material comprising a non-stoichiometric electrode-active material which forms a redox pair with the battery electrolyte, an electrically conductive polymer present in the range of from about 2% by weight to about 5% by weight of the electrode-active material, and a binder. The conductive polymer provides improved proton or ion conductivity and is a ligand resulting in metal ion or negative ion vacancies of less than about 0.1 atom percent. Specific electrodes of nickel and lead are disclosed.

Demonstration of Single-Barium-Ion Sensitivity for Neutrinoless Double-Beta Decay Using Single-Molecule Fluorescence Imaging.

PubMed

McDonald, A D; Jones, B J P; Nygren, D R; Adams, C; Álvarez, V; Azevedo, C D R; Benlloch-Rodríguez, J M; Borges, F I G M; Botas, A; Cárcel, S; Carrión, J V; Cebrián, S; Conde, C A N; Díaz, J; Diesburg, M; Escada, J; Esteve, R; Felkai, R; Fernandes, L M P; Ferrario, P; Ferreira, A L; Freitas, E D C; Goldschmidt, A; Gómez-Cadenas, J J; González-Díaz, D; Gutiérrez, R M; Guenette, R; Hafidi, K; Hauptman, J; Henriques, C A O; Hernandez, A I; Hernando Morata, J A; Herrero, V; Johnston, S; Labarga, L; Laing, A; Lebrun, P; Liubarsky, I; López-March, N; Losada, M; Martín-Albo, J; Martínez-Lema, G; Martínez, A; Monrabal, F; Monteiro, C M B; Mora, F J; Moutinho, L M; Muñoz Vidal, J; Musti, M; Nebot-Guinot, M; Novella, P; Palmeiro, B; Para, A; Pérez, J; Querol, M; Repond, J; Renner, J; Riordan, S; Ripoll, L; Rodríguez, J; Rogers, L; Santos, F P; Dos Santos, J M F; Simón, A; Sofka, C; Sorel, M; Stiegler, T; Toledo, J F; Torrent, J; Tsamalaidze, Z; Veloso, J F C A; Webb, R; White, J T; Yahlali, N

2018-03-30

A new method to tag the barium daughter in the double-beta decay of ^{136}Xe is reported. Using the technique of single molecule fluorescent imaging (SMFI), individual barium dication (Ba^{++}) resolution at a transparent scanning surface is demonstrated. A single-step photobleach confirms the single ion interpretation. Individual ions are localized with superresolution (∼2  nm), and detected with a statistical significance of 12.9σ over backgrounds. This lays the foundation for a new and potentially background-free neutrinoless double-beta decay technology, based on SMFI coupled to high pressure xenon gas time projection chambers.

Demonstration of Single-Barium-Ion Sensitivity for Neutrinoless Double-Beta Decay Using Single-Molecule Fluorescence Imaging

NASA Astrophysics Data System (ADS)

McDonald, A. D.; Jones, B. J. P.; Nygren, D. R.; Adams, C.; Álvarez, V.; Azevedo, C. D. R.; Benlloch-Rodríguez, J. M.; Borges, F. I. G. M.; Botas, A.; Cárcel, S.; Carrión, J. V.; Cebrián, S.; Conde, C. A. N.; Díaz, J.; Diesburg, M.; Escada, J.; Esteve, R.; Felkai, R.; Fernandes, L. M. P.; Ferrario, P.; Ferreira, A. L.; Freitas, E. D. C.; Goldschmidt, A.; Gómez-Cadenas, J. J.; González-Díaz, D.; Gutiérrez, R. M.; Guenette, R.; Hafidi, K.; Hauptman, J.; Henriques, C. A. O.; Hernandez, A. I.; Hernando Morata, J. A.; Herrero, V.; Johnston, S.; Labarga, L.; Laing, A.; Lebrun, P.; Liubarsky, I.; López-March, N.; Losada, M.; Martín-Albo, J.; Martínez-Lema, G.; Martínez, A.; Monrabal, F.; Monteiro, C. M. B.; Mora, F. J.; Moutinho, L. M.; Muñoz Vidal, J.; Musti, M.; Nebot-Guinot, M.; Novella, P.; Palmeiro, B.; Para, A.; Pérez, J.; Querol, M.; Repond, J.; Renner, J.; Riordan, S.; Ripoll, L.; Rodríguez, J.; Rogers, L.; Santos, F. P.; dos Santos, J. M. F.; Simón, A.; Sofka, C.; Sorel, M.; Stiegler, T.; Toledo, J. F.; Torrent, J.; Tsamalaidze, Z.; Veloso, J. F. C. A.; Webb, R.; White, J. T.; Yahlali, N.; NEXT Collaboration

2018-03-01

A new method to tag the barium daughter in the double-beta decay of Xe 136 is reported. Using the technique of single molecule fluorescent imaging (SMFI), individual barium dication (Ba++ ) resolution at a transparent scanning surface is demonstrated. A single-step photobleach confirms the single ion interpretation. Individual ions are localized with superresolution (˜2 nm ), and detected with a statistical significance of 12.9 σ over backgrounds. This lays the foundation for a new and potentially background-free neutrinoless double-beta decay technology, based on SMFI coupled to high pressure xenon gas time projection chambers.

Collisional excitation of ArH+ by hydrogen atoms

NASA Astrophysics Data System (ADS)

Dagdigian, Paul J.

2018-06-01

The rotational excitation of the 36ArH+ ion in collisions with hydrogen atoms is investigated in this work. The potential energy surface (PES) describing the 36ArH+-H interaction, with the ion bond length r fixed at the average of r over the radial v = 0 vibrational state distribution, was obtained with a coupled cluster method that included single, double, and (perturbatively) triple excitations [RCCSD(T)]. A deep minimum (De = 3135 cm-1) in the PES was found in linear H-ArH+ geometry at an ion-atom separation Re = 4.80a0. Energy-dependent cross-sections and rate coefficients as a function of temperature for this collision pair were computed in close-coupling (CC) calculations. Since the PES possesses a deep well, this is a good system to test the performance of the quantum statistical (QS) method developed by Manolopoulos and co-workers as a more efficient method to compute the cross-sections. Good agreement was found between rate coefficients obtained by the CC and QS methods at several temperatures. In a simple application, the excitation of ArH+ is simulated for conditions under which this ion is observed in absorption.

Ion acoustic solitary wave with weakly transverse perturbations in quantum electron-positron-ion plasma

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

Mushtaq, A.; Khan, S. A.; Department of Physics, COMSATS Institute of Information Technology, Islamabad

2007-05-15

The characteristics and stability of ion acoustic solitary wave with transverse perturbations are examined in ultracold quantum magnetospheric plasma consisting of electrons, positrons, and ions. Using the quantum hydrodynamic model, a dispersion relation in the linear regime, and the Kadomtsev-Petviashvili equation in the nonlinear regime are derived. The quantum corrections are studied through quantum statistics and diffraction effects. It is found that compressive solitary wave can propagate in this system. The quantum effects are also studied graphically for both linear and nonlinear profiles of ion acoustic wave. Using energy consideration method, conditions for existence of stable solitary waves are obtained.more » It is found that stable solitary waves depend on quantum corrections, positron concentration, and direction cosine of the wave vector k along the x axis.« less

Use of Electrochemical Noise (EN) Technique to Study the Effect of sulfate and Chloride Ions on Passivation and Pitting Corrosion Behavior of 316 Stainless Steel

NASA Astrophysics Data System (ADS)

Pujar, M. G.; Anita, T.; Shaikh, H.; Dayal, R. K.; Khatak, H. S.

2007-08-01

In the present paper, studies were conducted on AISI Type 316 stainless steel (SS) in deaerated solutions of sodium sulfate as well as sodium chloride to establish the effect of sulfate and chloride ions on the electrochemical corrosion behavior of the material. The experiments were conducted in deaerated solutions of 0.5 M sodium sulfate as well as 0.5 M sodium chloride using electrochemical noise (EN) technique at open circuit potential (OCP) to collect the correlated current and potential signals. Visual records of the current and potential, analysis of data to arrive at the statistical parameters, spectral density estimation using the maximum entropy method (MEM) showed that sulfate ions were incorporated in the passive film to strengthen the same. However, the adsorption of chloride ions resulted in pitting corrosion thereby adversely affecting noise resistance ( R N). Distinct current and potential signals were observed for metastable pitting, stable pitting and passive film build-up. Distinct changes in the values of the statistical parameters like R N and the spectral noise resistance at zero frequency ( R°SN) revealed adsorption and incorporation of sulfate and chloride ions on the passive film/solution interface.

Signature of chaos in the 4 f -core-excited states for highly-charged tungsten ions

NASA Astrophysics Data System (ADS)

Safronova, Ulyana; Safronova, Alla

2014-05-01

We evaluate radiative and autoionizing transition rates in highly charged W ions in search for the signature of chaos. In particularly, previously published results for Ag-like W27+, Tm-like W5+, and Yb-like W4+ ions as well as newly obtained for I-like W21+, Xe-like W20+, Cs-like W19+, and La-like W17+ ions (with ground configuration [Kr] 4d10 4fk with k = 7, 8, 9, and 11, respectively) are considered that were calculated using the multiconfiguration relativistic Hebrew University Lawrence Livermore Atomic Code (HULLAC code) and the Hartree-Fock-Relativistic method (COWAN code). The main emphasis was on verification of Gaussian statistics of rates as a function of transition energy. There was no evidence of such statistics for above mentioned previously published results as well as for the transitions between the excited and autoionizing states for newly calculated results. However, we did find the Gaussian profile for the transitions between excited states such as the [Kr] 4d10 4fk - [Kr] 4d10 4f k - 1 5 d transitions , for newly calculated W ions. This work is supported in part by DOE under NNSA Cooperative Agreement DE-NA0001984.

Ion-Scale Wave Properties and Enhanced Ion Heating across the Magnetopause during Kelvin-Helmholtz Instability

NASA Astrophysics Data System (ADS)

Nykyri, K.; Moore, T.; Dimmock, A. P.

2017-12-01

In the Earth's magnetosphere, the magnetotail plasma sheet ions are much hotter than in the shocked solar wind. On the dawn-sector, the cold-component ions are more abundant and hotter by 30-40 percent when compared to the dusk sector. Recent statistical studies of the flank magnetopause and magnetosheath have shown that the level of temperature asymmetry of the magnetosheath is unable to account for this, so additional physical mechanisms must be at play, either at the magnetopause or plasma sheet that contribute to this asymmetry. In this study, we perform a statistical analysis on the ion-scale wave properties in the three main plasma regimes common to flank magnetopause boundary crossings when the boundary is unstable to KHI: hot and tenuous magnetospheric, cold and dense magnetosheath and mixed [Hasegawa 2004 et al., 2004]. These statistics of ion-scale wave properties are compared to observations of fast magnetosonic wave modes that have recently been linked to Kelvin-Helmholtz vortex centered ion heating [Moore et al., 2016]. The statistical analysis shows that during KH events there is enhanced non-adiabatic heating calculated during (temporal) ion scale wave intervals when compared to non-KH events.

Ion/Neutral, Ion/Electron, Ion/Photon, and Ion/Ion Interactions in Tandem Mass Spectrometry: Do we need them all? Are they enough?

PubMed Central

McLuckey, Scott A.; Mentinova, Marija

2011-01-01

A range of strategies and tools has been developed to facilitate the determination of primary structures of analyte molecules of interest via tandem mass spectrometry (MS/MS). The two main factors that determine the primary structural information present in an MS/MS spectrum are the type of ion generated from the analyte molecule and the dissociation method. The ion-type subjected to dissociation is determined by the ionization method/conditions and ion transformation processes that might take place after initial gas-phase ion formation. Furthermore, the range of analyte-related ion types can be expanded via derivatization reactions prior to mass spectrometry. Dissociation methods include those that simply alter the population of internal states of the mass-selected ion (i.e., activation methods like collision-induced dissociation) as well as processes that rely on transformation of the ion-type prior to dissociation (e.g., electron capture dissociation). A variety of ionic interactions has been studied for the purpose of ion dissociation and ion transformation that include ion/neutral, ion/photon, ion/electron, and ion/ion interactions. A wide range of phenomena has been observed, many of which have been explored/developed as means for structural analysis. The techniques arising from these phenomena are discussed within the context of the elements of structure determination in tandem mass spectrometry, viz., ion-type definition and dissociation. Unique aspects of the various ion interactions are emphasized along with any barriers to widespread implementation. PMID:21472539

Comparative analysis for strength serum sodium and potassium in three different methods: Flame photometry, ion-selective electrode (ISE) and colorimetric enzymatic.

PubMed

Garcia, Rafaela Alvim; Vanelli, Chislene Pereira; Pereira Junior, Olavo Dos Santos; Corrêa, José Otávio do Amaral

2018-06-19

Hydroelectrolytic disorders are common in clinical situations and may be harmful to the patient, especially those involving plasma sodium and potassium dosages. Among the possible methods for the dosages are flame photometry, ion-selective electrode (ISE) and colorimetric enzymatic method. We analyzed 175 samples in the three different methods cited from patients attending the laboratory of the University Hospital of the Federal University of Juiz de Fora. The values obtained were statistically treated using SPSS 19.0 software. The present study aims to evaluate the impact of the use of these different methods in the determination of plasma sodium and potassium. The averages obtained for sodium and potassium measurements by flame photometry were similar (P > .05) to the means obtained for the two electrolytes by ISE. The averages obtained by the colorimetric enzymatic method presented statistical difference in relation to ISE, both for sodium and potassium. In the correlation analysis, both flame photometry and colorimetric enzymatic showed a strong correlation with the ISE method for both dosages. At the first time in the same work sodium and potassium were analyzed by three different methods and the results allowed us to conclude that the methods showed a positive and strong correlation, and can be applied in the clinical routine. © 2018 Wiley Periodicals, Inc.

[Analysis the cupric ion release characteristics of different copper raw materials in intrauterine device in vitro using ICP method].

PubMed

Lu, Hua; Ding, Tingting; Yao, Tianping; Sun, Jiao

2014-05-01

To study the Cupric ion release characteristics of different copper raw materials in intrauterine device in vitro by ICP. Reveal the relationship between purity and shape of Cu-IUD copper and copper ion release. According to a certain proportion, the copper raw materials were 100 times diluted into the simulated uterine solution at 37 +/- 0.5 degrees C. Replaced medium at certain time points and collected soaking liquid. Using ICP analyzed the concentration of copper ion released. The largest daily release of copper ions was in the first 7 days. There was no statistically significant difference between the copper ion release amount of 99.99% and 99.95% purity copper wire (P > 0.05). The release of copper ion of the copper wire was far greater than that of the copper pipe in early stage (P < 0.01). The release amount decreased and stabilized at 56 day. Release characteristics of copper ion could effectively analysis by ICP. And in the same area, the release amount of copper ions of copper wire was greater than that of copper pipe.

Silica-grafted ionic liquids for revealing the respective charging behaviors of cations and anions in supercapacitors.

PubMed

Dou, Qingyun; Liu, Lingyang; Yang, Bingjun; Lang, Junwei; Yan, Xingbin

2017-12-19

Supercapacitors based on activated carbon electrodes and ionic liquids as electrolytes are capable of storing charge through the electrosorption of ions on porous carbons and represent important energy storage devices with high power delivery/uptake. Various computational and instrumental methods have been developed to understand the ion storage behavior, however, techniques that can probe various cations and anions of ionic liquids separately remain lacking. Here, we report an approach to monitoring cations and anions independently by using silica nanoparticle-grafted ionic liquids, in which ions attaching to silica nanoparticle cannot access activated carbon pores upon charging, whereas free counter-ions can. Aided by this strategy, conventional electrochemical characterizations allow the direct measurement of the respective capacitance contributions and acting potential windows of different ions. Moreover, coupled with electrochemical quartz crystal microbalance, this method can provide unprecedented insight into the underlying electrochemistry.

Combination of sawdust from teak wood and rice husk activated carbon as adsorbent of Pb(II) ion and its analysis using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Saputro, S.; Mahardiani, L.; Wulandari, D. A.

2018-03-01

This research aimed to know the usage of sawdust of teak wood and rice husk waste as Pb (II) ion adsorbents in simulated liquid waste, the combined optimum mass required adsorbent to adsorb Pb(II) ion, the sensitivity of the solid-phase spectrophotometry (sps) method in determining the decrease of Pb (II) metal ion levels in the μg/L level. This research was conducted by experimental method in laboratory. Adsorbents used in this study were charcoal of sawdust sawdust activated using 15% ZnCl2 solution and activated rice husk using 2 N NaOH solution. The adsorption processes of sawdust and rice husk with Pb(II) solution was done by variation of mass combination with a ratio of 1: 0; 0: 1; 1: 1; 1: 2; and 2: 1. Analysis of Pb(II) ion concentration using SPS and characterization of sawdust and rice husk adsorbent ads using FTIR. The results showed that activated charcoal from sawdust of teak wood and rice husks can be used as Pb (II) metal ion adsorbents with adsorption capacity of 0.86 μg/L, charcoal from sawdust of teak wood and rice husk adsorbent with a combination of optimum mass contact of sawdust and rice husk is 2:1 as much as 3 grams can adsorb 42.80 μg/L. Solid-phase spectophotometry is a sensitive method for analysis of concentration decreasing levels of Pb(II) ion, after it was absorbed by sawdust of teak wood and rice husk with high sensitivity and has the limit of detection (LOD) of 0.06 μg/L.

The use of multicomponent statistical analysis in hydrogeological environmental research.

PubMed

Lambrakis, Nicolaos; Antonakos, Andreas; Panagopoulos, George

2004-04-01

The present article examines the possibilities of investigating NO(3)(-) spread in aquifers by applying multicomponent statistical methods (factor, cluster and discriminant analysis) on hydrogeological, hydrochemical, and environmental parameters. A 4-R-Mode factor model determined from the analysis showed its useful role in investigating hydrogeological parameters affecting NO(3)(-) concentration, such as its dilution by upcoming groundwater of the recharge areas. The relationship between NO(3)(-) concentration and agricultural activities can be determined sufficiently by the first factor which relies on NO(3)(-) and SO(4)(2-) of the same origin-that of agricultural fertilizers. The other three factors of R-Mode analysis are not connected directly to the NO(3)(-) problem. They do however, by extracting the role of the unsaturated zone, show an interesting relationship between organic matter content, thickness and saturated hydraulic conductivity. The application of Hirerarchical Cluster Analysis, based on all possible combinations of classification method, showed two main groups of samples. The first group comprises samples from the edges and the second from the central part of the study area. By the application of Discriminant Analysis it was shown that NO(3)(-) and SO(4)(2-) ions are the most significant variables in the discriminant function. Therefore, the first group is considered to comprise all samples from areas not influenced by fertilizers lying on the edges of contaminating activities such as crop cultivation, while the second comprises all the other samples.

An observationally-driven kinetic approach to coronal heating

NASA Astrophysics Data System (ADS)

Moraitis, K.; Toutountzi, A.; Isliker, H.; Georgoulis, M.; Vlahos, L.; Chintzoglou, G.

2016-11-01

Aims: Coronal heating through the explosive release of magnetic energy remains an open problem in solar physics. Recent hydrodynamical models attempt an investigation by placing swarms of "nanoflares" at random sites and times in modeled one-dimensional coronal loops. We investigate the problem in three dimensions, using extrapolated coronal magnetic fields of observed solar active regions. Methods: We applied a nonlinear force-free field extrapolation above an observed photospheric magnetogram of NOAA active region (AR) 11 158. We then determined the locations, energy contents, and volumes of "unstable" areas, namely areas prone to releasing magnetic energy due to locally accumulated electric current density. Statistical distributions of these volumes and their fractal dimension are inferred, investigating also their dependence on spatial resolution. Further adopting a simple resistivity model, we inferred the properties of the fractally distributed electric fields in these volumes. Next, we monitored the evolution of 105 particles (electrons and ions) obeying an initial Maxwellian distribution with a temperature of 10 eV, by following their trajectories and energization when subjected to the resulting electric fields. For computational convenience, the length element of the magnetic-field extrapolation is 1 arcsec, or 725 km, much coarser than the particles' collisional mean free path in the low corona (0.1-1 km). Results: The presence of collisions traps the bulk of the plasma around the unstable volumes, or current sheets (UCS), with only a tail of the distribution gaining substantial energy. Assuming that the distance between UCS is similar to the collisional mean free path we find that the low active-region corona is heated to 100-200 eV, corresponding to temperatures exceeding 2 MK, within tens of seconds for electrons and thousands of seconds for ions. Conclusions: Fractally distributed, nanoflare-triggening fragmented UCS in the active-region corona can heat electrons and ions with minor enhancements of the local resistivity. This statistical result is independent from the nature of the extrapolation and the spatial resolution of the modeled active-region corona. This finding should be coupled with a complete plasma treatment to determine whether a quasi-steady temperature similar to that of the ambient corona can be maintained, either via a kinetic or via a hybrid, kinetic and fluid, plasma treatment. The finding can also be extended to the quiet solar corona, provided that the currently undetected nanoflares are frequent enough to account for the lower (compared to active regions) energy losses in this case.

Synthesis of ion-exchange resin for selective thorium and uranyl ions sorption

NASA Astrophysics Data System (ADS)

Konovalov, Konstantin; Sachkov, Victor

2017-11-01

In this work, the method of ion-exchange resin synthesis selective to radionuclides (uranium and thorium) is presented. The method includes synthesis of polymeric styrene-divinylbenzene macroporous matrix with size of 0.1-0.2 mm, and its subsequent transformation by nitration and then reduction by tin (II) chloride. For passivation of active primary amines partially oxidation by oxygen from air is used. Obtained ion-exchange resin has ratio of sorption sum U+Th to sorption sum of other total rare-earth elements as 1:1.88 at ratio of solid to liquid phase 1:200. The proposed method of ion-exchange resin synthesis is scaled-up for laboratory reactors with volume of 5 and 50 liters.

Removal of zinc (II) ion from aqueous solution by adsorption onto activated palm midrib bio-sorbent

NASA Astrophysics Data System (ADS)

Mulana, F.; Mariana; Muslim, A.; Mohibah, M.; Halim, K. H. Ku

2018-03-01

In this paper, palm midrib that was activated with mixed citric acid and tartaric acid as biosorbent was used to remove Zn (II) ion from aqueous solution. The aim of this research is to activate palm midrib by using a mixed citric acid and tartaric acid and to determine adsorption capacity of activated palm midrib biosorbent on Zn (II) ion uptake from aqueous solution. The effect of several parameters such as contact time, initial Zn (II) ion concentration and activator concentration on the degree of Zn (II) ion removal was examined. Atomic Absorption Spectroscopy method was performed to determine adsorbed amount of Zn (II) ion into activated biosorbent. The result showed that the adsorption process was relatively not so fast and equilibrium was reached after contact time of 120 min. The adsorption capacity of biosorbent reached a maximum when the concentration of mixed citric acid and tartaric acid was 1.6 M. The optimum adsorption capacity was 5.72 mg/g. The result was obtained on initial Zn (II) ion concentration of 80 ppm for 120-min contact time. Langmuir isotherm was found as the best fit for the equilibrium data indicating homogeneous adsorption of metal ions onto the biosorbent surface.

Selected papers in the hydrologic sciences, 1986

USGS Publications Warehouse

Subitzky, Seymour

1987-01-01

Water-quality data from long-term (24 years), fixed- station monitoring at the Cape Fear River at Lock 1 near Kelly, N.C., and various measures of basin development are correlated. Subbasin population, number of acres of cropland in the subbasin, number of people employed in manufacturing, and tons of fertilizer applied in the basin are considered as measures of basinwide development activity. Linear correlations show statistically significant posi- tive relations between both population and manufacturing activity and most of the dissolved constituents considered. Negative correlations were found between the acres of harvested cropland and most of the water-quality measures. The amount of fertilizer sold in the subbasin was not statistically related to the water-quality measures considered in this report. The statistical analysis was limited to several commonly used measures of water quality including specific conductance, pH, dissolved solids, several major dissolved ions, and a few nutrients. The major dissolved ions included in the analysis were calcium, sodium, potassium, magnesium, chloride, sulfate, silica, bicarbonate, and fluoride. The nutrients included were dissolved nitrite plus nitrate nitrogen, dissolved ammonia nitrogen, total nitrogen, dissolved phosphates, and total phosphorus. For the chemicals evaluated, manufacturing and population sources are more closely associated with water quality in the Cape Fear River at Lock 1 than are agricultural variables.

Observations of subauroral ion drift (SAID) occurrence statistics and associated ionospheric conditions measured by the Defense Meteorological Satellite Program (DMSP) and Dynamics Explorer 2 (DE-2).

NASA Astrophysics Data System (ADS)

Landry, R. G.; Anderson, P. C.

2017-12-01

Subauroral ion drifts (SAID) are a phenomenon sometimes observed in the subauroral ionosphere in dusk to post-midnight magnetic local time sectors during magnetically active periods characterized by strong poleward electric fields that drive westward ion drifts greater than 1 km/s. SAIDs typically will span 1-2 degrees magnetic latitude and several hours in magnetic local time. SAIDs are often observed colocated with the midlatitude trough. The strong electric field can act to reduce the ionospheric conductivity further through enhanced recombination and vertical transport. The theory that SAIDs are generated by ionospheric Pedersen currents fed by ring current driven field-aligned currents (FAC) requires the decreased conductance associated with the midlatitude trough to produce the latitudinally narrow, large amplitude SAID electric field. Using Dynamics Explorer 2 (DE 2) plasma measurements of SAIDs from altitudes of 200 to 1000 km, we investigate the statistical variation of the ionospheric composition, temperature, and vertical ion drifts as a function of altitude. Using Defense Meteorological Satellite Program (DMSP) measurements from 1987-2012, we extend the empirical study at the DMSP altitude of 830 km to investigate how season, longitude, and any ionospheric preconditioning before SAID formation affect the likelihood of SAID occurrence and coincidence with FACs and ion density troughs.

Detection of Fatty Acids from Intact Microorganisms by Molecular Beam Static Secondary Ion Mass Spectrometry

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

Ingram, Jani Cheri; Lehman, Richard Michael; Bauer, William Francis

We report the use of a surface analysis approach, static secondary ion mass spectrometry (SIMS) equipped with a molecular (ReO4-) ion primary beam, to analyze the surface of intact microbial cells. SIMS spectra of 28 microorganisms were compared to fatty acid profiles determined by gas chromatographic analysis of transesterfied fatty acids extracted from the same organisms. The results indicate that surface bombardment using the molecular primary beam cleaved the ester linkage characteristic of bacteria at the glycerophosphate backbone of the phospholipid components of the cell membrane. This cleavage enables direct detection of the fatty acid conjugate base of intact microorganismsmore » by static SIMS. The limit of detection for this approach is approximately 107 bacterial cells/cm2. Multivariate statistical methods were applied in a graded approach to the SIMS microbial data. The results showed that the full data set could initially be statistically grouped based upon major differences in biochemical composition of the cell wall. The gram-positive bacteria were further statistically analyzed, followed by final analysis of a specific bacterial genus that was successfully grouped by species. Additionally, the use of SIMS to detect microbes on mineral surfaces is demonstrated by an analysis of Shewanella oneidensis on crushed hematite. The results of this study provide evidence for the potential of static SIMS to rapidly detect bacterial species based on ion fragments originating from cell membrane lipids directly from sample surfaces.« less

Active Radiation Detectors for Use in Space Beyond Low Earth Orbit: Spatial and Energy Resolution Requirements and Methods for Heavy Ion Charge Classification

NASA Astrophysics Data System (ADS)

McBeth, Rafe A.

Space radiation exposure to astronauts will need to be carefully monitored on future missions beyond low earth orbit. NASA has proposed an updated radiation risk framework that takes into account a significant amount of radiobiological and heavy ion track structure information. These models require active radiation detection systems to measure the energy and ion charge Z. However, current radiation detection systems cannot meet these demands. The aim of this study was to investigate several topics that will help next generation detection systems meet the NASA objectives. Specifically, this work investigates the required spatial resolution to avoid coincident events in a detector, the effects of energy straggling and conversion of dose from silicon to water, and methods for ion identification (Z) using machine learning. The main results of this dissertation are as follows: 1. Spatial resolution on the order of 0.1 cm is required for active space radiation detectors to have high confidence in identifying individual particles, i.e., to eliminate coincident events. 2. Energy resolution of a detector system will be limited by energy straggling effects and the conversion of dose in silicon to dose in biological tissue (water). 3. Machine learning methods show strong promise for identification of ion charge (Z) with simple detector designs.

Quality of drinking water from the agricultural area treated with pitcher water filters

PubMed

Królak, Elżbieta; Raczuk, Jolanta; Sakowicz, Danuta; Biardzka, Elżbieta

Home methods of drinking water treatment through filtration have recently become quite popular. The aim of the study was to compare chemical composition of unfiltered water with water filtered in households with pitcher water filters. Obtained results were discussed in view of the effect of analysed chemical components of water on human health. Water samples were taken from water works supplies and from home dug wells from the agricultural area. Unfiltered water and water filtered through filters filled with active carbon and ion-exchanging resin and placed in a pitcher were analysed. Electrolytic conductivity, pH, hardness and the concentrations of calcium, magnesium, nitrate, phosphate and chloride ions were determined in water samples. Results of analyses were statistically processed. As a result of water filtration, the concentration of phosphates significantly increased and the concentrations of calcium, magnesium, electrolytic conductivity and pH decreased. No changes were noted in the concentration of chloride ions. Filtering water decreased the concentration of nitrates in dug wells samples. Using water purification devices is justified in the case of water originating from home dug wells contaminated with nitrates when, at the same time, consumers’ diet is supplemented with calcium and magnesium. Filtration of water from water works supplies, controlled by sanitary inspection seems aimless.

Statistical precision of the intensities retrieved from constrained fitting of overlapping peaks in high-resolution mass spectra

DOE PAGES

Cubison, M. J.; Jimenez, J. L.

2015-06-05

Least-squares fitting of overlapping peaks is often needed to separately quantify ions in high-resolution mass spectrometer data. A statistical simulation approach is used to assess the statistical precision of the retrieved peak intensities. The sensitivity of the fitted peak intensities to statistical noise due to ion counting is probed for synthetic data systems consisting of two overlapping ion peaks whose positions are pre-defined and fixed in the fitting procedure. The fitted intensities are sensitive to imperfections in the m/Q calibration. These propagate as a limiting precision in the fitted intensities that may greatly exceed the precision arising from counting statistics.more » The precision on the fitted peak intensity falls into one of three regimes. In the "counting-limited regime" (regime I), above a peak separation χ ~ 2 to 3 half-widths at half-maximum (HWHM), the intensity precision is similar to that due to counting error for an isolated ion. For smaller χ and higher ion counts (~ 1000 and higher), the intensity precision rapidly degrades as the peak separation is reduced ("calibration-limited regime", regime II). Alternatively for χ < 1.6 but lower ion counts (e.g. 10–100) the intensity precision is dominated by the additional ion count noise from the overlapping ion and is not affected by the imprecision in the m/Q calibration ("overlapping-limited regime", regime III). The transition between the counting and m/Q calibration-limited regimes is shown to be weakly dependent on resolving power and data spacing and can thus be approximated by a simple parameterisation based only on peak intensity ratios and separation. A simple equation can be used to find potentially problematic ion pairs when evaluating results from fitted spectra containing many ions. Longer integration times can improve the precision in regimes I and III, but a given ion pair can only be moved out of regime II through increased spectrometer resolving power. As a result, studies presenting data obtained from least-squares fitting procedures applied to mass spectral peaks should explicitly consider these limits on statistical precision.« less

Trace elements and common ions in southeastern Idaho snow: Regional air pollutant tracers for source area emissions

USGS Publications Warehouse

Abbott, M.; Einerson, J.; Schuster, P.; Susong, D.; Taylor, Howard E.; ,

2004-01-01

Snow sampling and analysis methods which produce accurate and ultra-low measurements of trace elements and common ion concentration in southeastern Idaho snow, were developed. Snow samples were collected over two winters to assess trace elements and common ion concentrations in air pollutant fallout across the southeastern Idaho. The area apportionment of apportionment of fallout concentrations measured at downwind location were investigated using pattern recognition and multivariate statistical technical techniques. Results show a high level of contribution from phosphates processing facilities located outside Pocatello in the southern portion of the Eastern Snake River Plain, and no obvious source area profiles other than at Pocatello.

Demonstration of Single-Barium-Ion Sensitivity for Neutrinoless Double-Beta Decay Using Single-Molecule Fluorescence Imaging

DOE PAGES

McDonald, A. D.; Jones, B. J. P.; Nygren, D. R.; ...

2018-03-26

A new method to tag the barium daughter in the double beta decay ofmore » $$^{136}$$Xe is reported. Using the technique of single molecule fluorescent imaging (SMFI), individual barium dication (Ba$$^{++}$$) resolution at a transparent scanning surface has been demonstrated. A single-step photo-bleach confirms the single ion interpretation. Individual ions are localized with super-resolution ($$\\sim$$2~nm), and detected with a statistical significance of 12.9~$$\\sigma$$ over backgrounds. This lays the foundation for a new and potentially background-free neutrinoless double beta decay technology, based on SMFI coupled to high pressure xenon gas time projection chambers.« less

Isotherm-Based Thermodynamic Model for Solute Activities of Asymmetric Electrolyte Aqueous Solutions.

PubMed

Nandy, Lucy; Dutcher, Cari S

2017-09-21

Adsorption isotherm-based statistical thermodynamic models can be used to determine solute concentration and solute and solvent activities in aqueous solutions. Recently, the number of adjustable parameters in the isotherm model of Dutcher et al. J. Phys. Chem. A/C 2011, 2012, 2013 were reduced for neutral solutes as well as symmetric 1:1 electrolytes by using a Coulombic model to describe the solute-solvent energy interactions (Ohm et al. J. Phys. Chem. A 2015, Nandy et al. J. Phys. Chem. A 2016). Here, the Coulombic treatment for symmetric electrolytes is extended to establish improved isotherm model equations for asymmetric 1-2 and 1-3 electrolyte systems. The Coulombic model developed here results in prediction of activities and other thermodynamic properties in multicomponent systems containing ions of arbitrary charge. The model is found to accurately calculate the osmotic coefficient over the entire solute concentration range with two model parameters, related to intermolecular solute-solute and solute-solvent spacing. The inorganic salts and acids treated here are generally considered to be fully dissociated. However, there are certain weak acids that do not dissociate completely, such as the bisulfate ion. In this work, partial dissociation of the bisulfate ion from sulfuric acid is treated as a mixture, with an additional model parameter that accounts for the dissociation ratio of the dissociated ions to nondissociated ions.

Visualization of air and metal inhomogeneities in phantoms irradiated by carbon ion beams using prompt secondary ions.

PubMed

Gaa, T; Reinhart, M; Hartmann, B; Jakubek, J; Soukup, P; Jäkel, O; Martišíková, M

2017-06-01

Non-invasive methods for monitoring of the therapeutic ion beam extension in the patient are desired in order to handle deteriorations of the dose distribution related to changes of the patient geometry. In carbon ion radiotherapy, secondary light ions represent one of potential sources of information about the dose distribution in the irradiated target. The capability to detect range-changing inhomogeneities inside of an otherwise homogeneous phantom, based on single track measurements, is addressed in this paper. Air and stainless steel inhomogeneities, with PMMA equivalent thickness of 10mm and 4.8mm respectively, were inserted into a PMMA-phantom at different positions in depth. Irradiations of the phantom with therapeutic carbon ion pencil beams were performed at the Heidelberg Ion Beam Therapy Center. Tracks of single secondary ions escaping the phantom under irradiation were detected with a pixelized semiconductor detector Timepix. The statistical relevance of the found differences between the track distributions with and without inhomogeneities was evaluated. Measured shifts of the distal edge and changes in the fragmentation probability make the presence of inhomogeneities inserted into the traversed medium detectable for both, 10mm air cavities and 1mm thick stainless steel. Moreover, the method was shown to be sensitive also on their position in the observed body, even when localized behind the Bragg-peak. The presented results demonstrate experimentally, that the method using distributions of single secondary ion tracks is sensitive to the changes of homogeneity of the traversed material for the studied geometries of the target. Copyright © 2017 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

Statistical generation of training sets for measuring NO3(-), NH4(+) and major ions in natural waters using an ion selective electrode array.

PubMed

Mueller, Amy V; Hemond, Harold F

2016-05-18

Knowledge of ionic concentrations in natural waters is essential to understand watershed processes. Inorganic nitrogen, in the form of nitrate and ammonium ions, is a key nutrient as well as a participant in redox, acid-base, and photochemical processes of natural waters, leading to spatiotemporal patterns of ion concentrations at scales as small as meters or hours. Current options for measurement in situ are costly, relying primarily on instruments adapted from laboratory methods (e.g., colorimetric, UV absorption); free-standing and inexpensive ISE sensors for NO3(-) and NH4(+) could be attractive alternatives if interferences from other constituents were overcome. Multi-sensor arrays, coupled with appropriate non-linear signal processing, offer promise in this capacity but have not yet successfully achieved signal separation for NO3(-) and NH4(+)in situ at naturally occurring levels in unprocessed water samples. A novel signal processor, underpinned by an appropriate sensor array, is proposed that overcomes previous limitations by explicitly integrating basic chemical constraints (e.g., charge balance). This work further presents a rationalized process for the development of such in situ instrumentation for NO3(-) and NH4(+), including a statistical-modeling strategy for instrument design, training/calibration, and validation. Statistical analysis reveals that historical concentrations of major ionic constituents in natural waters across New England strongly covary and are multi-modal. This informs the design of a statistically appropriate training set, suggesting that the strong covariance of constituents across environmental samples can be exploited through appropriate signal processing mechanisms to further improve estimates of minor constituents. Two artificial neural network architectures, one expanded to incorporate knowledge of basic chemical constraints, were tested to process outputs of a multi-sensor array, trained using datasets of varying degrees of statistical representativeness to natural water samples. The accuracy of ANN results improves monotonically with the statistical representativeness of the training set (error decreases by ∼5×), while the expanded neural network architecture contributes a further factor of 2-3.5 decrease in error when trained with the most representative sample set. Results using the most statistically accurate set of training samples (which retain environmentally relevant ion concentrations but avoid the potential interference of humic acids) demonstrated accurate, unbiased quantification of nitrate and ammonium at natural environmental levels (±20% down to <10 μM), as well as the major ions Na(+), K(+), Ca(2+), Mg(2+), Cl(-), and SO4(2-), in unprocessed samples. These results show promise for the development of new in situ instrumentation for the support of scientific field work.

A review on lithium-ion battery ageing mechanisms and estimations for automotive applications

NASA Astrophysics Data System (ADS)

Barré, Anthony; Deguilhem, Benjamin; Grolleau, Sébastien; Gérard, Mathias; Suard, Frédéric; Riu, Delphine

2013-11-01

Lithium-ion batteries have become the focus of research interest, thanks to their numerous benefits for vehicle applications. One main limitation of these technologies resides in the battery ageing. The effects of battery ageing limit its performance and occur throughout their whole life, whether the battery is used or not, which is a major drawback on real usage. Furthermore, degradations take place in every condition, but in different proportions as usage and external conditions interact to provoke degradations. The ageing phenomena are highly complicated to characterize due to the factors cross-dependence. This paper reviews various aspects of recent research and developments, from different fields, on lithium-ion battery ageing mechanisms and estimations. In this paper is presented a summary of techniques, models and algorithms used for battery ageing estimation (SOH, RUL), going from a detailed electrochemical approach to statistical methods based on data. In order to present the accuracy of currently used methods, their respective characteristics are discussed. Remaining challenges are deeply detailed, along with a discussion about the ideal method resulting from existing methods.

The Evolution of the Plasma Sheet Ion Composition: Storms and Recoveries: Plasma Sheet Ion Composition

DOE PAGES

Denton, M. H.; Thomsen, M. F.; Reeves, G. D.; ...

2017-10-03

The ion plasma sheet (~few hundred eV to ~few 10s keV) is usually dominated by H + ions. Here, changes in ion composition within the plasma sheet are explored both during individual events, and statistically during 54 calm-to-storm events and during 21 active-to-calm events. Ion composition data from the HOPE (Helium, Oxygen, Proton, Electron) instruments onboard Van Allen Probes satellites provide exceptional spatial and temporal resolution of the H +, O +, and He + ion fluxes in the plasma sheet. H+ shown to be the dominant ion in the plasma sheet in the calm-to-storm transition. However, the energy-flux ofmore » each ion changes in a quasi-linear manner during extended calm intervals. Heavy ions (O + and He +) become increasingly important during such periods as charge-exchange reactions result in faster loss for H + than for O + or He +. Results confirm previous investigations showing that the ion composition of the plasma sheet can be largely understood (and predicted) during calm intervals from knowledge of: (a) the composition of previously injected plasma at the onset of calm conditions, and (b) use of simple drift-physics models combined with calculations of charge-exchange losses.« less

The Evolution of the Plasma Sheet Ion Composition: Storms and Recoveries: Plasma Sheet Ion Composition

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

Denton, M. H.; Thomsen, M. F.; Reeves, G. D.

The ion plasma sheet (~few hundred eV to ~few 10s keV) is usually dominated by H + ions. Here, changes in ion composition within the plasma sheet are explored both during individual events, and statistically during 54 calm-to-storm events and during 21 active-to-calm events. Ion composition data from the HOPE (Helium, Oxygen, Proton, Electron) instruments onboard Van Allen Probes satellites provide exceptional spatial and temporal resolution of the H +, O +, and He + ion fluxes in the plasma sheet. H+ shown to be the dominant ion in the plasma sheet in the calm-to-storm transition. However, the energy-flux ofmore » each ion changes in a quasi-linear manner during extended calm intervals. Heavy ions (O + and He +) become increasingly important during such periods as charge-exchange reactions result in faster loss for H + than for O + or He +. Results confirm previous investigations showing that the ion composition of the plasma sheet can be largely understood (and predicted) during calm intervals from knowledge of: (a) the composition of previously injected plasma at the onset of calm conditions, and (b) use of simple drift-physics models combined with calculations of charge-exchange losses.« less

Statistical Method Based on Confidence and Prediction Regions for Analysis of Volatile Organic Compounds in Human Breath Gas

NASA Astrophysics Data System (ADS)

Wimmer, G.

2008-01-01

In this paper we introduce two confidence and two prediction regions for statistical characterization of concentration measurements of product ions in order to discriminate various groups of persons for prospective better detection of primary lung cancer. Two MATLAB algorithms have been created for more adequate description of concentration measurements of volatile organic compounds in human breath gas for potential detection of primary lung cancer and for evaluation of the appropriate confidence and prediction regions.

Colorimetric and atomic absorption spectrometric determination of mucolytic drug ambroxol through ion-pair formation with iron and thiocyanate.

PubMed

Levent, Abdulkadir; Sentürk, Zühre

2010-09-01

Colorimetric and atomic absorption spectrometric methods have been developed for the determination of mucolytic drug Ambroxol. These procedures depend upon the reaction of iron(III) metal ion with the drug in the presence of thiocyanate ion to form stable ion-pair complex which extractable chloroform. The red-coloured complex was determined either colorimetrically at 510 nm or by indirect atomic absorption spectrometry (AAS) via the determination of the iron content in the formed complex. The optimum experimental conditions for pH, concentrations of Fe(3+) and SCN(-), shaking time, phase ratio, and the number of extractions were determined. Under the proposed conditions, linearity was obeyed in the concentration ranges 4.1x10(-6) - 5.7x10(-5) M (1.7-23.6 µg mL(-1)) using both methods, with detection limits of 4.6x10(-7) M (0.19 µg mL(-1)) for colorimetry and 1.1x10(-6) M (0.46 µg mL(-1)) for AAS. The proposed methods were applied for the determination of Ambroxol in tablet dosage forms. The results obtained were statistically analyzed and compared with those obtained by applying the high-performance liquid chromatographic method with diode-array detection.

A Rapid Method for Measuring Strontium-90 Activity in Crops in China

NASA Astrophysics Data System (ADS)

Pan, Lingjing Pan; Yu, Guobing; Wen, Deyun; Chen, Zhi; Sheng, Liusi; Liu, Chung-King; Xu, X. George

2017-09-01

A rapid method for measuring Sr-90 activity in crop ashes is presented. Liquid scintillation counting, combined with ion exchange columns 4`, 4"(5")-di-t-butylcyclohexane-18-crown-6, is used to determine the activity of Sr-90 in crops. The yields of chemical procedure are quantified using gravimetric analysis. The conventional method that uses ion-exchange resin with HDEHP could not completely remove all the bismuth when comparatively large lead and bismuth exist in the samples. This is overcome by the rapid method. The chemical yield of this method is about 60% and the MDA for Sr-90 is found to be 2:32 Bq/kg. The whole procedure together with using spectrum analysis to determine the activity only takes about one day, which is really a large improvement compared with the conventional method. A modified conventional method is also described here to verify the value of the rapid one. These two methods can meet di_erent needs of daily monitoring and emergency situation.

Effect of the porous structure of activated carbon on the adsorption kinetics of gold(I) cyanide complex

NASA Astrophysics Data System (ADS)

Ibragimova, P. I.; Grebennikov, S. F.; Gur'yanov, V. V.; Fedyukevich, V. A.; Vorob'ev-Desyatovskii, N. V.

2014-06-01

The effect the porous structure of activated carbons obtained from furfural and coconut shells has on the kinetics of [Au(CN)2]- ion adsorption is studied. Effective diffusion coefficients for [Au(CN)2]- anions in transport and adsorbing pores and mass transfer coefficients in a transport system of the pores and in microporous zones are calculated using the statistical moments of the kinetic curve.

Corrosion resistance assessment of Co-Cr alloy frameworks fabricated by CAD/CAM milling, laser sintering, and casting methods.

PubMed

Tuna, Süleyman Hakan; Özçiçek Pekmez, Nuran; Kürkçüoğlu, Işin

2015-11-01

The effects of fabrication methods on the corrosion resistance of frameworks produced with Co-Cr alloys are not clear. The purpose of this in vitro study was to evaluate the electrochemical corrosion resistance of Co-Cr alloy specimens that were fabricated by conventional casting, milling, and laser sintering. The specimens fabricated with 3 different methods were investigated by potentiodynamic tests and electrochemical impedance spectroscopy in an artificial saliva. Ions released into the artificial saliva were estimated with inductively coupled plasma-mass spectrometry, and the results were statistically analyzed. The specimen surfaces were investigated with scanning electron microscopy before and after the tests. In terms of corrosion current and Rct properties, statistically significant differences were found both among the means of the methods and among the means of the material groups (P<.05). With regard to ions released, a statistically significant difference was found among the material groups (P<.05); however, no difference was found among the methods. Scanning electron microscopic imaging revealed that the specimens produced by conventional casting were affected to a greater extent by etching and electrochemical corrosion than those produced by milling and laser sintering. The corrosion resistance of a Co-Cr alloy specimens fabricated by milling or laser sintering was greater than that of the conventionally cast alloy specimens. The Co-Cr specimens produced by the same method also differed from one another in terms of corrosion resistance. These differences may be related to the variations in the alloy compositions. Copyright © 2015 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Improved drug loading and antibacterial activity of minocycline-loaded PLGA nanoparticles prepared by solid/oil/water ion pairing method

PubMed Central

Kashi, Tahereh Sadat Jafarzadeh; Eskandarion, Solmaz; Esfandyari-Manesh, Mehdi; Marashi, Seyyed Mahmoud Amin; Samadi, Nasrin; Fatemi, Seyyed Mostafa; Atyabi, Fatemeh; Eshraghi, Saeed; Dinarvand, Rassoul

2012-01-01

Background Low drug entrapment efficiency of hydrophilic drugs into poly(lactic-co-glycolic acid) (PLGA) nanoparticles is a major drawback. The objective of this work was to investigate different methods of producing PLGA nanoparticles containing minocycline, a drug suitable for periodontal infections. Methods Different methods, such as single and double solvent evaporation emulsion, ion pairing, and nanoprecipitation were used to prepare both PLGA and PEGylated PLGA nanoparticles. The resulting nanoparticles were analyzed for their morphology, particle size and size distribution, drug loading and entrapment efficiency, thermal properties, and antibacterial activity. Results The nanoparticles prepared in this study were spherical, with an average particle size of 85–424 nm. The entrapment efficiency of the nanoparticles prepared using different methods was as follows: solid/oil/water ion pairing (29.9%) > oil/oil (5.5%) > water/oil/water (4.7%) > modified oil/water (4.1%) > nano precipitation (0.8%). Addition of dextran sulfate as an ion pairing agent, acting as an ionic spacer between PEGylated PLGA and minocycline, decreased the water solubility of minocycline, hence increasing the drug entrapment efficiency. Entrapment efficiency was also increased when low molecular weight PLGA and high molecular weight dextran sulfate was used. Drug release studies performed in phosphate buffer at pH 7.4 indicated slow release of minocycline from 3 days to several weeks. On antibacterial analysis, the minimum inhibitory concentration and minimum bactericidal concentration of nanoparticles was at least two times lower than that of the free drug. Conclusion Novel minocycline-PEGylated PLGA nanoparticles prepared by the ion pairing method had the best drug loading and entrapment efficiency compared with other prepared nanoparticles. They also showed higher in vitro antibacterial activity than the free drug. PMID:22275837

Amperometric biosensors for the determination of heavy metals

NASA Astrophysics Data System (ADS)

Compagnone, Dario; Palleschi, Giuseppe; Varallo, Giuseppe; Imperiali, PierLuigi

1995-10-01

A bioelectrochemical method for the determination of heavy metal ions has been developed. This method is based on the inhibition effect of metal ions on the enzymatic activity of oxidase enzymes. The enzymatic activity was determined with an amperometric hydrogen peroxide probe. The inhibition effect on enzymes in solution and covalently immobilized on polymeric supports has been evaluated. Hg(II) was the metal ion that inhibited almost all the enzymes, particularly glycerol-3-P oxidase. Hg(II) was detected in the 0.05/0.5 ppm range with the enzyme in solution. Calibration curves for Hg(II) were also obtained with the other oxidase enzymes in the 0.5/10 ppm range. The other metal ions tested inhibited the enzymes more specifically. The metal ion/enzyme systems which gave the best inhibition were Se(IV)/glutathione oxidase, Ni(II)/sarcosine oxidase, V(V)/glutathione oxidase, Cu(II)/alcohol oxidase from Pichia Pastoris and Cd(II)/D-aminoacid oxidase. All these metal ions were detected in the 0.1/10 ppm range using the enzymes in solution or covalently immobilized.

Layer cathode methods of manufacturing and materials for Li-ion rechargeable batteries

DOEpatents

Kang, Sun-Ho [Naperville, IL; Amine, Khalil [Downers Grove, IL

2008-01-01

A positive electrode active material for lithium-ion rechargeable batteries of general formula Li.sub.1+xNi.sub..alpha.Mn.sub..beta.A.sub..gamma.O.sub.2 and further wherein A is Mg, Zn, Al, Co, Ga, B, Zr, or Ti and 0

Ion-Scale Wave Properties and Enhanced Ion Heating Across the Low-Latitude Boundary Layer During Kelvin-Helmholtz Instability

NASA Astrophysics Data System (ADS)

Moore, T. W.; Nykyri, K.; Dimmock, A. P.

2017-11-01

In the Earth's magnetosphere, the magnetotail plasma sheet ions are much hotter than in the shocked solar wind. On the dawn sector, the cold-component ions are more abundant and hotter by 30-40% when compared to the dusk sector. Recent statistical studies of the flank magnetopause and magnetosheath have shown that the level of temperature asymmetry of the magnetosheath is unable to account for this, so additional physical mechanisms must be at play, either at the magnetopause or plasma sheet that contributes to this asymmetry. In this study, we perform a statistical analysis on the ion-scale wave properties in the three main plasma regimes common to flank magnetopause boundary crossings when the boundary is unstable to Kelvin-Helmholtz instability (KHI): hot and tenuous magnetospheric, cold and dense magnetosheath, and mixed (Hasegawa et al., 2004). These statistics of ion-scale wave properties are compared to observations of fast magnetosonic wave modes that have recently been linked to Kelvin-Helmholtz (KH) vortex centered ion heating (Moore et al., 2016). The statistical analysis shows that during KH events there is enhanced nonadiabatic heating calculated during ion scale wave intervals when compared to non-KH events. This suggests that during KH events there is more free energy for ion-scale wave generation, which in turn can heat ions more effectively when compared to cases when KH waves are absent. This may contribute to the dawn favored temperature asymmetry of the plasma sheet; recent studies suggest KH waves favor the dawn flank during Parker-Spiral interplanetary magnetic field.

Ion/Ion Reactions with "Onium" Reagents: An Approach for the Gas-phase Transfer of Organic Cations to Multiply-Charged Anions

NASA Astrophysics Data System (ADS)

Gilbert, Joshua D.; Prentice, Boone M.; McLuckey, Scott A.

2015-05-01

The use of ion/ion reactions to effect gas-phase alkylation is demonstrated. Commonly used fixed-charge "onium" cations are well-suited for ion/ion reactions with multiply deprotonated analytes because of their tendency to form long-lived electrostatic complexes. Activation of these complexes results in an SN2 reaction that yields an alkylated anion with the loss of a neutral remnant of the reagent. This alkylation process forms the basis of a general method for alkylation of deprotonated analytes generated via electrospray, and is demonstrated on a variety of anionic sites. SN2 reactions of this nature are demonstrated empirically and characterized using density functional theory (DFT). This method for modification in the gas phase is extended to the transfer of larger and more complex R groups that can be used in later gas-phase synthesis steps. For example, N-cyclohexyl- N'-(2-morpholinoethyl)carbodiimide (CMC) is used to transfer a carbodiimide functionality to a peptide anion containing a carboxylic acid. Subsequent activation yields a selective reaction between the transferred carbodiimide group and a carboxylic acid, suggesting the carbodiimide functionality is retained through the transfer process. Many different R groups are transferable using this method, allowing for new possibilities for charge manipulation and derivatization in the gas phase.

Selective detection of Co2+ by fluorescent nano probe: Diagnostic approach for analysis of environmental samples and biological activities

NASA Astrophysics Data System (ADS)

Mahajan, Prasad G.; Dige, Nilam C.; Desai, Netaji K.; Patil, Shivajirao R.; Kondalkar, Vijay V.; Hong, Seong-Karp; Lee, Ki Hwan

2018-06-01

Nowadays scientist over the world are engaging to put forth improved methods to detect metal ion in an aqueous medium based on fluorescence studies. A simple, selective and sensitive method was proposed for detection of Co2+ ion using fluorescent organic nanoparticles. We synthesized a fluorescent small molecule viz. 4,4‧-{benzene-1,4-diylbis-[(Z)methylylidenenitrilo]}dibenzoic acid (BMBA) to explore its suitability as sensor for Co2+ ion and biocompatibility in form of nanoparticles. Fluorescence nanoparticles (BMBANPs) prepared by simple reprecipitation method. Aggregation induced enhanced emission of BMBANPs exhibits the narrower particle size of 68 nm and sphere shape morphology. The selective fluorescence quenching was observed by addition of Co2+ and does not affected by presence of other coexisting ion solutions. The photo-physical properties, viz. UV-absorption, fluorescence emission, and lifetime measurements are in support of ligand-metal interaction followed by static fluorescence quenching phenomenon in emission of BMBANPs. Finally, we develop a simple analytical method for selective and sensitive determination of Co2+ ion in environmental samples. The cell culture E. coli, Bacillus sps., and M. tuberculosis H37RV strain in the vicinity of BMBANPs indicates virtuous anti-bacterial and anti-tuberculosis activity which is of additional novel application shown by prepared nanoparticles.

Materials Development for All-Solid-State Battery Electrolytes

NASA Astrophysics Data System (ADS)

Wang, Weimin

Solid electrolytes in all solid-state batteries, provide higher attainable energy density and improved safety. Ideal solid electrolytes require high ionic conductivity, a high elastic modulus to prevent dendrite growth, chemical compatibility with electrodes, and ease of fabrication into thin films. Although various materials types, including polymers, ceramics, and composites, are under intense investigation, unifying design principles have not been identified. In this thesis, we study the key ion transport mechanisms in relation to the structural characteristics of polymers and glassy solids, and apply derived material design strategies to develop polymer-silica hybrid materials with improved electrolyte performance characteristics. Poly(ethylene) oxide-based solid electrolytes containing ceramic nanoparticles are attractive alternatives to liquid electrolytes for high-energy density Li batteries. We compare the effect of Li1.3Al0.3Ti 1.7(PO4)3 active nanoparticles, passive TiO 2 nanoparticles and fumed silica. Up to two orders of magnitude enhancement in ionic conductivity is observed for composites with active nanoparticles, attributed to cation migration through a percolating interphase region that develops around the active nanoparticles, even at low nanoparticle loading. We investigate the structural origin of elastic properties and ionic migration mechanisms in sodium borosilicate and sodium borogermanate glass electrolyte system. A new statistical thermodynamic reaction equilibrium model is used in combination with data from nuclear magnetic resonance and Brillouin light scattering measurements to determine network structural unit fractions. The highly coordinated structural units are found to be predominantly responsible for effective mechanical load transmission, by establishing three-dimensional covalent connectivity. A strong correlation exists between bulk modulus and the activation energy for ion conduction. We describe the activated process in glasses as involving a jump by the migrating cation and transient reversible isotropic displacement of atoms in the immediate vicinity, and express the activation energy as a sum of Coulomb and elastic terms. By fitting our experimental data to this model, we find that the number of affected atoms in the vicinity ranges between 20 and 30. Furthermore, elastic deformations in ion jumping are almost purely hydrostatic and hardly shear. Considering that the energy required for the cation jump is made available by concentrating thermal phonons at the jump site, we establish a relationship between structural stiffness and activation energy. Moreover, the more atoms that partake in the cation jump, the more degrees of freedom for atomic motion can be relied upon to achieve the required net outward expansion to facilitate the passage of the jumping cation, lowering the activation energy. To combine the flexibility of polymers and the good mechanical and electrochemical properties of silica, we use sol-gel methods for fabricating silica-based hybrid organic-inorganic electrolytes. Polyethylene glycol is covalently grafted onto the silica backbone as the organic filler that provides the environment for ion conduction. We developed synthesis methods in which grafting and polycondensation occur concurrently, or the grafting occurs after the silica backbone has formed. Small angle x-ray scattering measurements reveal that different structures are achieved depending on the method used. The two-step procedure allows for a larger amount of conducting polymer to be embedded into network pores than in the one-pot method. This greatly enhances the ionic conductivity without sacrificing mechanical stability afforded by the continuous silica backbone. Here we provide a cumulative account of a systematic materials design efforts, in which we sequentially implement several important design aspects to identify their respective importance and influence on the materials performance characteristics.

VLF imaging of the Venus foreshock

NASA Technical Reports Server (NTRS)

Crawford, G. K.; Strangeway, R. J.; Russell, C. T.

1993-01-01

VLF plasma wave measurements obtained from the Pioneer Venus Orbiter Electric Field Detector (OEFD) have been used to construct statistical images of the Venus foreshock. Our data set contains all upstream measurements from an entire Venus year (approximately 200 orbits). Since the foreshock VLF characteristics vary with Interplanetary Magnetic Field (IMF) orientation we restrict the study to IMF orientations near the nominal Parker spiral angle (25 to 45). Our results show a strong decrease in 30 kHz wave intensity with both foreshock depth and distance. There is also an asymmetry in the 30 kHz emissions from the upstream and downstream foreshocks. The ion foreshock is characterized by strong emissions in the 5.4 kHz OEFD channel which are positioned much deeper in the foreshock than expected from terrestrial observations. No activity is observed in the region where field aligned ion distributions are expected. ULF wave activity, while weaker than at Earth, shows similar behavior and may indicate the presence of similar ion distributions.

Summary of Geotail Funding Activities. [Period of Performance: 03/1999 - 02/2002

NASA Technical Reports Server (NTRS)

2002-01-01

This final report summarizes results of Geotail project monitoring Earth's magnetotail during funding period. Compares project's transport statistics to those of International Sun-Earth Explorer (ISEE) and Ion Release Module (IRM). Program established relations between disruption and flow events, and made observations on the nature of electric field fluctuations and plasma sheet flows.

Use of the Analysis of the Volatile Faecal Metabolome in Screening for Colorectal Cancer

PubMed Central

2015-01-01

Diagnosis of colorectal cancer is an invasive and expensive colonoscopy, which is usually carried out after a positive screening test. Unfortunately, existing screening tests lack specificity and sensitivity, hence many unnecessary colonoscopies are performed. Here we report on a potential new screening test for colorectal cancer based on the analysis of volatile organic compounds (VOCs) in the headspace of faecal samples. Faecal samples were obtained from subjects who had a positive faecal occult blood sample (FOBT). Subjects subsequently had colonoscopies performed to classify them into low risk (non-cancer) and high risk (colorectal cancer) groups. Volatile organic compounds were analysed by selected ion flow tube mass spectrometry (SIFT-MS) and then data were analysed using both univariate and multivariate statistical methods. Ions most likely from hydrogen sulphide, dimethyl sulphide and dimethyl disulphide are statistically significantly higher in samples from high risk rather than low risk subjects. Results using multivariate methods show that the test gives a correct classification of 75% with 78% specificity and 72% sensitivity on FOBT positive samples, offering a potentially effective alternative to FOBT. PMID:26086914

Application of a surfactant-assisted dispersive liquid-liquid microextraction method along with central composite design for micro-volume based spectrophotometric determination of low level of Cr(VI) ions in aquatic samples.

PubMed

Sobhi, Hamid Reza; Azadikhah, Efat; Behbahani, Mohammad; Esrafili, Ali; Ghambarian, Mahnaz

2018-05-09

A fast, simple, low cost surfactant-assisted dispersive liquid-liquid microextraction method along with central composite design for the determination of low level of Cr(VI) ions in several aquatic samples has been developed. Initially, Cr(VI) ions present in the aqueous sample were readily reacted with 1,5‑diphenylcarbazide (DPC) in acidic medium through complexation. Sodium dodecyl sulfate (SDS), as an anionic surfactant, was then employed as an ion-pair agent to convert the cationic complex into the neutral one. Following on, the whole aqueous phase underwent a dispersive liquid-liquid microextraction (DLLME) leading to the transfer of the neutral complex into the fine droplet of organic extraction phase. A micro-volume spectrophotometer was used to determine Cr(VI) concentrations. Under the optimized conditions predicted by the statistical design, the limit of quantification (LOQ) obtained was reported to be 5.0 μg/L, and the calibration curve was linear over the concentration range of 5-100 μg/L. Finally, the method was successfully implemented for the determination of low levels of Cr(VI) ions in various real aquatic samples and the accuracies fell within the range of 83-102%, while the precision varied in the span of 1.7-5.2%. Copyright © 2018. Published by Elsevier B.V.

The Heavy Ion Afternoon Bulge: Structure and Formation Mechanisms

NASA Astrophysics Data System (ADS)

Fernandes, P. A.; Larsen, B.; Skoug, R. M.; Reeves, G. D.; Denton, M.; Engel, M.; Ferradas, C.; Funsten, H. O.; Henderson, M. G.; Jahn, J. M.; Morley, S.; Thomsen, M. F.

2017-12-01

Recent observations of near-equatorial inner magnetosphere plasma composition indicate the presence of an "afternoon bulge" plasma population at low L-shell. A detailed statistical survey using HOPE data characterized this afternoon bulge as an enhancement in 10 keV O+ and He+ ions extending from 1100-2200 MLT and 2 ≤ L ≤ 4 during quiet/moderate geomagnetic activity (Kp < 5). This statistical HOPE study postulated that formation of the bulge is caused by variations in Kp: 10 keV particles have access to low L-shells during geomagnetically active times and become trapped during the transition to quiet times. In this study, we expand on previous observations of the afternoon bulge by examining individual transits of this feature by the Van Allen Probes. We analyze periods with optimal spacecraft transits of the afternoon bulge region, including: May - Oct. 2013, Feb. - June 2014, and Apr. - Aug. 2015. We determine the presence and duration of the bulge during case studies representing three categories of geomagnetic activity: 1) extended quiet geomagnetic conditions; 2) sharp transitions of Kp from active to quiet conditions; and 3) rises and falls in Kp on the time scales of spacecraft orbits to days. We thoroughly characterize the energy structure of the bulge as a function of Kp. We also analyze these transits of the bulge in the context of plasma access using both drift path modeling and UBK-derived energy access maps.

Molecular dynamics simulation study of the "stay or leave" problem for two magnesium ions in gene transcription.

PubMed

Wu, Shaogui

2017-06-01

Two magnesium ions play important roles in nucleotide addition cycle (NAC) of gene transcription. However, at the end of each NAC, why does one ion stay in the active site while the other ion leaves with product pyrophosphate (PP i )? This problem still remains obscure. In this work, we studied the problem using all-atom molecular dynamics simulation combined with steered molecular dynamics and umbrella sampling simulation methods. Our simulations reveal that although both ions are located in the active site after chemistry, their detailed positions are not symmetrical, leading to their different forces from surrounding groups. One ion makes weaker contacts with PP i than the whole protein. Hence, PP i release is less likely to take it away. The other one forms tighter contacts with PP i relative to the protein. The formed (Mg 2+ -PP i ) 2- complex is found to break the contacts with surrounding protein residues one by one so as to dissociate from the active site. This effectively avoids the coexistence of two ions in the active site after PP i release and guarantees a reasonable Mg 2+ ion number in the active site for the next NAC. The observations from this work can provide valuable information for comprehensively understanding the molecular mechanism of transcription. Proteins 2017; 85:1002-1007. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Superstatistical Energy Distributions of an Ion in an Ultracold Buffer Gas

NASA Astrophysics Data System (ADS)

Rouse, I.; Willitsch, S.

2017-04-01

An ion in a radio frequency ion trap interacting with a buffer gas of ultracold neutral atoms is a driven dynamical system which has been found to develop a nonthermal energy distribution with a power law tail. The exact analytical form of this distribution is unknown, but has often been represented empirically by q -exponential (Tsallis) functions. Based on the concepts of superstatistics, we introduce a framework for the statistical mechanics of an ion trapped in an rf field subject to collisions with a buffer gas. We derive analytic ion secular energy distributions from first principles both neglecting and including the effects of the thermal energy of the buffer gas. For a buffer gas with a finite temperature, we prove that Tsallis statistics emerges from the combination of a constant heating term and multiplicative energy fluctuations. We show that the resulting distributions essentially depend on experimentally controllable parameters paving the way for an accurate control of the statistical properties of ion-atom hybrid systems.

Statistical study of ionospheric ion beams observed by CLUSTER above the polar caps

NASA Astrophysics Data System (ADS)

Maggiolo, R.; Echim, M.; Fontaine, D.; Teste, A. F.; Jacquey, C.

2009-12-01

Above the polar caps and during prolonged periods of Northward IMF, the Cluster spacecraft detect accelerated ion beams with energies up to a few keV. They are associated with downward precipitating electrons and converging electric field structures indicating that the acceleration is caused by a quasi-static field aligned electric field that can extend to altitudes up to 5 RE (Maggiolo et al. 2006, Teste et al. 2007). Using the AMDA science analysis service provided by the Centre de Données de la Physique des Plasmas (CDPP, http://cdpp.cesr.fr), we have been able to extract from the Cluster ion detectors dataset the time periods when Cluster encounters polar cap local ion beams. 6 years of data have been mined with this tool. Almost 200 events have been found giving new insight on these structures. After a description of the method used for the automatic detection of the beams, we will discuss their statistical properties. We analyze their relation to solar wind and IMF. In particular, we estimate the delay between a Northward/Southward turning of the IMF and the appearance/disappearance of these beams. The characteristics of the particles detected inside these structures as well as their size, orientation and location are also presented. We show that these ion beams are located on magnetic field lines mapping close to the high latitude magnetopause and in the central part of the lobes and that 40 % of them are detected together with hot isotropic ions. These results will be discussed in term of magnetotail configuration during prolonged periods of Northward IMF.

Comparison of molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics-three-dimensional reference interaction site model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test

NASA Astrophysics Data System (ADS)

Pandey, Preeti; Srivastava, Rakesh; Bandyopadhyay, Pradipta

2018-03-01

The relative performance of MM-PBSA and MM-3D-RISM methods to estimate the binding free energy of protein-ligand complexes is investigated by applying these to three proteins (Dihydrofolate Reductase, Catechol-O-methyltransferase, and Stromelysin-1) differing in the number of metal ions they contain. None of the computational methods could distinguish all the ligands based on their calculated binding free energies (as compared to experimental values). The difference between the two comes from both polar and non-polar part of solvation. For charged ligand case, MM-PBSA and MM-3D-RISM give a qualitatively different result for the polar part of solvation.

Examining nonextensive statistics in relativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Simon, A.; Wolschin, G.

2018-04-01

We show in detailed numerical solutions of the nonlinear Fokker-Planck equation (FPE), which has been associated with nonextensive q statistics, that the available data on rapidity distributions for stopping in relativistic heavy-ion collisions cannot be reproduced with any permitted value of the nonextensivity parameter (1

Neural Energy Supply-Consumption Properties Based on Hodgkin-Huxley Model

PubMed Central

2017-01-01

Electrical activity is the foundation of the neural system. Coding theories that describe neural electrical activity by the roles of action potential timing or frequency have been thoroughly studied. However, an alternative method to study coding questions is the energy method, which is more global and economical. In this study, we clearly defined and calculated neural energy supply and consumption based on the Hodgkin-Huxley model, during firing action potentials and subthreshold activities using ion-counting and power-integral model. Furthermore, we analyzed energy properties of each ion channel and found that, under the two circumstances, power synchronization of ion channels and energy utilization ratio have significant differences. This is particularly true of the energy utilization ratio, which can rise to above 100% during subthreshold activity, revealing an overdraft property of energy use. These findings demonstrate the distinct status of the energy properties during neuronal firings and subthreshold activities. Meanwhile, after introducing a synapse energy model, this research can be generalized to energy calculation of a neural network. This is potentially important for understanding the relationship between dynamical network activities and cognitive behaviors. PMID:28316842

Improved drug loading and antibacterial activity of minocycline-loaded PLGA nanoparticles prepared by solid/oil/water ion pairing method.

PubMed

Kashi, Tahereh Sadat Jafarzadeh; Eskandarion, Solmaz; Esfandyari-Manesh, Mehdi; Marashi, Seyyed Mahmoud Amin; Samadi, Nasrin; Fatemi, Seyyed Mostafa; Atyabi, Fatemeh; Eshraghi, Saeed; Dinarvand, Rassoul

2012-01-01

Low drug entrapment efficiency of hydrophilic drugs into poly(lactic-co-glycolic acid) (PLGA) nanoparticles is a major drawback. The objective of this work was to investigate different methods of producing PLGA nanoparticles containing minocycline, a drug suitable for periodontal infections. Different methods, such as single and double solvent evaporation emulsion, ion pairing, and nanoprecipitation were used to prepare both PLGA and PEGylated PLGA nanoparticles. The resulting nanoparticles were analyzed for their morphology, particle size and size distribution, drug loading and entrapment efficiency, thermal properties, and antibacterial activity. The nanoparticles prepared in this study were spherical, with an average particle size of 85-424 nm. The entrapment efficiency of the nanoparticles prepared using different methods was as follows: solid/oil/water ion pairing (29.9%) > oil/oil (5.5%) > water/oil/water (4.7%) > modified oil/water (4.1%) > nano precipitation (0.8%). Addition of dextran sulfate as an ion pairing agent, acting as an ionic spacer between PEGylated PLGA and minocycline, decreased the water solubility of minocycline, hence increasing the drug entrapment efficiency. Entrapment efficiency was also increased when low molecular weight PLGA and high molecular weight dextran sulfate was used. Drug release studies performed in phosphate buffer at pH 7.4 indicated slow release of minocycline from 3 days to several weeks. On antibacterial analysis, the minimum inhibitory concentration and minimum bactericidal concentration of nanoparticles was at least two times lower than that of the free drug. Novel minocycline-PEGylated PLGA nanoparticles prepared by the ion pairing method had the best drug loading and entrapment efficiency compared with other prepared nanoparticles. They also showed higher in vitro antibacterial activity than the free drug.

Investigating the limits of PET/CT imaging at very low true count rates and high random fractions in ion-beam therapy monitoring

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

Kurz, Christopher, E-mail: Christopher.Kurz@physik.uni-muenchen.de; Bauer, Julia; Conti, Maurizio

Purpose: External beam radiotherapy with protons and heavier ions enables a tighter conformation of the applied dose to arbitrarily shaped tumor volumes with respect to photons, but is more sensitive to uncertainties in the radiotherapeutic treatment chain. Consequently, an independent verification of the applied treatment is highly desirable. For this purpose, the irradiation-induced β{sup +}-emitter distribution within the patient is detected shortly after irradiation by a commercial full-ring positron emission tomography/x-ray computed tomography (PET/CT) scanner installed next to the treatment rooms at the Heidelberg Ion-Beam Therapy Center (HIT). A major challenge to this approach is posed by the small numbermore » of detected coincidences. This contribution aims at characterizing the performance of the used PET/CT device and identifying the best-performing reconstruction algorithm under the particular statistical conditions of PET-based treatment monitoring. Moreover, this study addresses the impact of radiation background from the intrinsically radioactive lutetium-oxyorthosilicate (LSO)-based detectors at low counts. Methods: The authors have acquired 30 subsequent PET scans of a cylindrical phantom emulating a patientlike activity pattern and spanning the entire patient counting regime in terms of true coincidences and random fractions (RFs). Accuracy and precision of activity quantification, image noise, and geometrical fidelity of the scanner have been investigated for various reconstruction algorithms and settings in order to identify a practical, well-suited reconstruction scheme for PET-based treatment verification. Truncated listmode data have been utilized for separating the effects of small true count numbers and high RFs on the reconstructed images. A corresponding simulation study enabled extending the results to an even wider range of counting statistics and to additionally investigate the impact of scatter coincidences. Eventually, the recommended reconstruction scheme has been applied to exemplary postirradiation patient data-sets. Results: Among the investigated reconstruction options, the overall best results in terms of image noise, activity quantification, and accurate geometrical recovery were achieved using the ordered subset expectation maximization reconstruction algorithm with time-of-flight (TOF) and point-spread function (PSF) information. For this algorithm, reasonably accurate (better than 5%) and precise (uncertainty of the mean activity below 10%) imaging can be provided down to 80 000 true coincidences at 96% RF. Image noise and geometrical fidelity are generally improved for fewer iterations. The main limitation for PET-based treatment monitoring has been identified in the small number of true coincidences, rather than the high intrinsic random background. Application of the optimized reconstruction scheme to patient data-sets results in a 25% − 50% reduced image noise at a comparable activity quantification accuracy and an improved geometrical performance with respect to the formerly used reconstruction scheme at HIT, adopted from nuclear medicine applications. Conclusions: Under the poor statistical conditions in PET-based treatment monitoring, improved results can be achieved by considering PSF and TOF information during image reconstruction and by applying less iterations than in conventional nuclear medicine imaging. Geometrical fidelity and image noise are mainly limited by the low number of true coincidences, not the high LSO-related random background. The retrieved results might also impact other emerging PET applications at low counting statistics.« less

Discriminant analysis of fused positive and negative ion mobility spectra using multivariate self-modeling mixture analysis and neural networks.

PubMed

Chen, Ping; Harrington, Peter B

2008-02-01

A new method coupling multivariate self-modeling mixture analysis and pattern recognition has been developed to identify toxic industrial chemicals using fused positive and negative ion mobility spectra (dual scan spectra). A Smiths lightweight chemical detector (LCD), which can measure positive and negative ion mobility spectra simultaneously, was used to acquire the data. Simple-to-use interactive self-modeling mixture analysis (SIMPLISMA) was used to separate the analytical peaks in the ion mobility spectra from the background reactant ion peaks (RIP). The SIMPLSIMA analytical components of the positive and negative ion peaks were combined together in a butterfly representation (i.e., negative spectra are reported with negative drift times and reflected with respect to the ordinate and juxtaposed with the positive ion mobility spectra). Temperature constrained cascade-correlation neural network (TCCCN) models were built to classify the toxic industrial chemicals. Seven common toxic industrial chemicals were used in this project to evaluate the performance of the algorithm. Ten bootstrapped Latin partitions demonstrated that the classification of neural networks using the SIMPLISMA components was statistically better than neural network models trained with fused ion mobility spectra (IMS).

Activation of the mechanosensitive ion channel MscL by mechanical stimulation of supported Droplet-Hydrogel bilayers

PubMed Central

Rosholm, Kadla R.; Baker, Matthew A. B.; Ridone, Pietro; Nakayama, Yoshitaka; Rohde, Paul R.; Cuello, Luis G.; Lee, Lawrence K.; Martinac, Boris

2017-01-01

The droplet on hydrogel bilayer (DHB) is a novel platform for investigating the function of ion channels. Advantages of this setup include tight control of all bilayer components, which is compelling for the investigation of mechanosensitive (MS) ion channels, since they are highly sensitive to their lipid environment. However, the activation of MS ion channels in planar supported lipid bilayers, such as the DHB, has not yet been established. Here we present the activation of the large conductance MS channel of E. coli, (MscL), in DHBs. By selectively stretching the droplet monolayer with nanolitre injections of buffer, we induced quantifiable DHB tension, which could be related to channel activity. The MscL activity response revealed that the droplet monolayer tension equilibrated over time, likely by insertion of lipid from solution. Our study thus establishes a method to controllably activate MS channels in DHBs and thereby advances studies of MS channels in this novel platform. PMID:28345591

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

McDonald, A. D.; Jones, B. J. P.; Nygren, D. R.

A new method to tag the barium daughter in the double beta decay ofmore » $$^{136}$$Xe is reported. Using the technique of single molecule fluorescent imaging (SMFI), individual barium dication (Ba$$^{++}$$) resolution at a transparent scanning surface has been demonstrated. A single-step photo-bleach confirms the single ion interpretation. Individual ions are localized with super-resolution ($$\\sim$$2~nm), and detected with a statistical significance of 12.9~$$\\sigma$$ over backgrounds. This lays the foundation for a new and potentially background-free neutrinoless double beta decay technology, based on SMFI coupled to high pressure xenon gas time projection chambers.« less

Ion-dipole interactions in concentrated organic electrolytes.

PubMed

Chagnes, Alexandre; Nicolis, Stamatios; Carré, Bernard; Willmann, Patrick; Lemordant, Daniel

2003-06-16

An algorithm is proposed for calculating the energy of ion-dipole interactions in concentrated organic electrolytes. The ion-dipole interactions increase with increasing salt concentration and must be taken into account when the activation energy for the conductivity is calculated. In this case, the contribution of ion-dipole interactions to the activation energy for this transport process is of the same order of magnitude as the contribution of ion-ion interactions. The ion-dipole interaction energy was calculated for a cell of eight ions, alternatingly anions and cations, placed on the vertices of an expanded cubic lattice whose parameter is related to the mean interionic distance (pseudolattice theory). The solvent dipoles were introduced randomly into the cell by assuming a randomness compacity of 0.58. The energy of the dipole assembly in the cell was minimized by using a Newton-Raphson numerical method. The dielectric field gradient around ions was taken into account by a distance parameter and a dielectric constant of epsilon = 3 at the surfaces of the ions. A fair agreement between experimental and calculated activation energy has been found for systems composed of gamma-butyrolactone (BL) as solvent and lithium perchlorate (LiClO4), lithium tetrafluoroborate (LiBF4), lithium hexafluorophosphate (LiPF6), lithium hexafluoroarsenate (LiAsF6), and lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) as salts.

Ion temperatures in HIP-1 and SUMMA from charge-exchange neutral optical emission spectra

NASA Technical Reports Server (NTRS)

Patch, R. W.; Lauver, M. R.

1976-01-01

Ion temperatures were obtained from observations of the H sub alpha, D sub alpha, and He 587.6 nm lines emitted from hydrogen, deuterium, and helium plasmas in the SUMMA and HIP-1 mirror devices at Lewis Research Center. Steady state discharges were formed by applying a radially inward dc electric field between cylindrical or annular anodes and hollow cathodes located at the peaks of the mirrors. The ion temperatures were found from the Doppler broadening of the charge-exchange components of spectral lines. A statistical method was developed for obtaining scaling relations of ion temperature as a function of current, voltage, and magnetic flux density. Derivations are given that take into account triangular monochromator slit functions, loss cones, and superimposed charge-exchange processes. In addition, the Doppler broadening was found to be sensitive to the influence of drift on charge-exchange cross section. The effects of finite ion-cyclotron radius, cascading, and delayed emission are reviewed.

A new topside profiler based on Alouette/ISIS topside sounding

NASA Astrophysics Data System (ADS)

Zhao, Biqiang; Zhu, Jie

2016-04-01

A new empirical model of the topside ionospheric density was developed to describe the measured topside profile accurately. This profiler is a composite of two separate layers of different ion species in the topside ionosphere, the O+ layer and the light-ions (H+ and He+) layer. The light-ions layer is characterized by an a-Chapman function with a linearly increasing scale height with altitude. This new model appears to perform the best as compared to five other typical topside profilers in representing data from ISIS-1&2 and Alouette-1&2 observations. We also analyzed the magnetic latitude dependence, seasonal variation, and day-night difference of the characteristic parameters of the light-ions layer during the magnetic quiet (Kp < 4) and low solar activity (f107 < 120 solar flux unit, sfu) period within magnetic latitudes from 60 to 90 degree. The statistical results show the expected different behaviors of light-ions and O+ parameters. In addition, the portion of the light-ion components contributing to the topside-ionospheric total electron content (TTEC) was studied also. The results suggest that the light ions make a great contribution to the TTEC, especially in magnetic low- and middle-latitudes at night.

A novel PFIB sample preparation protocol for correlative 3D X-ray CNT and FIB-TOF-SIMS tomography.

PubMed

Priebe, Agnieszka; Audoit, Guillaume; Barnes, Jean-Paul

2017-02-01

We present a novel sample preparation method that allows correlative 3D X-ray Computed Nano-Tomography (CNT) and Focused Ion Beam Time-Of-Flight Secondary Ion Mass Spectrometry (FIB-TOF-SIMS) tomography to be performed on the same sample. In addition, our invention ensures that samples stay unmodified structurally and chemically between the subsequent experiments. The main principle is based on modifying the topography of the X-ray CNT experimental setup before FIB-TOF-SIMS measurements by incorporating a square washer around the sample. This affects the distribution of extraction field lines and therefore influences the trajectories of secondary ions that are now guided more efficiently towards the detector. As the result, secondary ion detection is significantly improved and higher, i.e. statistically better, signals are obtained. Copyright © 2016 Elsevier B.V. All rights reserved.

Characterization of Membrane Patch-Ion Channel Probes for Scanning Ion Conductance Microscopy.

PubMed

Shi, Wenqing; Zeng, Yuhan; Zhu, Cheng; Xiao, Yucheng; Cummins, Theodore R; Hou, Jianghui; Baker, Lane A

2018-05-01

Integration of dual-barrel membrane patch-ion channel probes (MP-ICPs) to scanning ion conductance microscopy (SICM) holds promise of providing a revolutionized approach of spatially resolved chemical sensing. A series of experiments are performed to further the understanding of the system and to answer some fundamental questions, in preparation for future developments of this approach. First, MP-ICPs are constructed that contain different types of ion channels including transient receptor potential vanilloid 1 and large conductance Ca2 + -activated K + channels to establish the generalizability of the methods. Next, the capability of the MP-ICP platforms in single ion channel activity measurements is proved. In addition, the interplay between the SICM barrel and the ICP barrel is studied. For ion channels gated by uncharged ligands, channel activity at the ICP barrel is unaffected by the SICM barrel potential; whereas for ion channels that are gated by charged ligands, enhanced channel activity can be obtained by biasing the SICM barrel at potentials with opposite polarity to the charge of the ligand molecules. Finally, a proof-of-principle experiment is performed and site-specific molecular/ionic flux sensing is demonstrated at single-ion-channel level, which show that the MP-ICP platform can be used to quantify local molecular/ionic concentrations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Bayesian Integration and Classification of Composition C-4 Plastic Explosives Based on Time-of-Flight-Secondary Ion Mass Spectrometry and Laser Ablation-Inductively Coupled Plasma Mass Spectrometry.

PubMed

Mahoney, Christine M; Kelly, Ryan T; Alexander, Liz; Newburn, Matt; Bader, Sydney; Ewing, Robert G; Fahey, Albert J; Atkinson, David A; Beagley, Nathaniel

2016-04-05

Time-of-flight-secondary ion mass spectrometry (TOF-SIMS) and laser ablation-inductively coupled plasma mass spectrometry (LA-ICPMS) were used for characterization and identification of unique signatures from a series of 18 Composition C-4 plastic explosives. The samples were obtained from various commercial and military sources around the country. Positive and negative ion TOF-SIMS data were acquired directly from the C-4 residue on Si surfaces, where the positive ion mass spectra obtained were consistent with the major composition of organic additives, and the negative ion mass spectra were more consistent with explosive content in the C-4 samples. Each series of mass spectra was subjected to partial least squares-discriminant analysis (PLS-DA), a multivariate statistical analysis approach which serves to first find the areas of maximum variance within different classes of C-4 and subsequently to classify unknown samples based on correlations between the unknown data set and the original data set (often referred to as a training data set). This method was able to successfully classify test samples of C-4, though with a limited degree of certainty. The classification accuracy of the method was further improved by integrating the positive and negative ion data using a Bayesian approach. The TOF-SIMS data was combined with a second analytical method, LA-ICPMS, which was used to analyze elemental signatures in the C-4. The integrated data were able to classify test samples with a high degree of certainty. Results indicate that this Bayesian integrated approach constitutes a robust classification method that should be employable even in dirty samples collected in the field.

Pyrophoric metal-carbon foam composites and methods of making the same

DOEpatents

Gash, Alexander E [Brentwood, CA; Satcher, Jr., Joe H.; Simpson, Randall L [Livermore, CA; Baumann, Theodore F [Discovery Bay, CA; Worsley, Marcus A [Belmont, CA

2012-05-08

A method for creating a pyrophoric material according to one embodiment includes thermally activating a carbon foam for creating micropores therein; contacting the activated carbon foam with a liquid solution comprising a metal salt for depositing metal ions in the carbon foam; and reducing the metal ions in the foam to metal particles. A pyrophoric material in yet another embodiment includes a pyrophoric metal-carbon foam composite comprising a carbon foam having micropores and mesopores and a surface area of greater than or equal to about 2000 m.sup.2/g, and metal particles in the pores of the carbon foam. Additional methods and materials are also disclosed.

Kinetics of First-Row Transition Metal Cations (V+, Fe+, Co+) with OCS at Thermal Energies.

PubMed

Sweeny, Brendan C; Ard, Shaun G; Shuman, Nicholas S; Viggiano, Albert A

2018-05-03

The temperature-dependent kinetics for reactions of V + , Fe + , and Co + with OCS are measured using a selected ion flow tube apparatus heated to 300-600 K. All three reactions proceed solely by C-S activation at thermal energies, resulting in metal sulfide cation formation. Previously calculated reaction pathways were employed to inform statistical modeling of these reactions for comparison to the data. As surmised previously, all three reactions at thermal energies require spin crossing, with the Fe + reaction crossing once circumventing a prohibitive transition state, before crossing again to form ground state products. The Fe + and Co + reaction efficiencies increase with energy. For the Co + reaction, and to a lesser extent the Fe + reaction, the apparent activation energies are less than the reaction endothermicities, possibly indicating increasing diabatic behavior of the spin crossings with energy. The V + reaction was well modeled assuming an entirely adiabatic spin crossing, such that the resultant avoided crossing behaves similarly to a tight transition state. The subsequent reaction of VS + with OCS producing VS 2 + is also investigated; the rate-limiting transition state energy derived from statistical modeling is poorly reproduced by quantum calculations using a variety of methods, highlighting the large (1-2 eV) uncertainty in calculated energetics of transition-metal containing species.

Large-scale collision cross-section profiling on a travelling wave ion mobility mass spectrometer

PubMed Central

Lietz, Christopher B.; Yu, Qing; Li, Lingjun

2014-01-01

Ion mobility (IM) is a gas-phase electrophoretic method that separates ions according to charge and ion-neutral collision cross-section (CCS). Herein, we attempt to apply a travelling wave (TW) IM polyalanine calibration method to shotgun proteomics and create a large peptide CCS database. Mass spectrometry methods that utilize IM, such as HDMSE, often use high transmission voltages for sensitive analysis. However, polyalanine calibration has only been demonstrated with low voltage transmission used to prevent gas-phase activation. If polyalanine ions change conformation under higher transmission voltages used for HDMSE, the calibration may no longer be valid. Thus, we aimed to characterize the accuracy of calibration and CCS measurement under high transmission voltages on a TW IM instrument using the polyalanine calibration method and found that the additional error was not significant. We also evaluated the potential error introduced by liquid chromatography (LC)-HDMSE analysis, and found it to be insignificant as well, validating the calibration method. Finally, we demonstrated the utility of building a large-population peptide CCS database by investigating the effects of terminal lysine position, via LysC or LysN digestion, on the formation of two structural sub-families formed by triply charged ions. PMID:24845359

Identifying Wave-Particle Interactions in the Solar Wind using Statistical Correlations

NASA Astrophysics Data System (ADS)

Broiles, T. W.; Jian, L. K.; Gary, S. P.; Lepri, S. T.; Stevens, M. L.

2017-12-01

Heavy ions are a trace component of the solar wind, which can resonate with plasma waves, causing heating and acceleration relative to the bulk plasma. While wave-particle interactions are generally accepted as the cause of heavy ion heating and acceleration, observations to constrain the physics are lacking. In this work, we statistically link specific wave modes to heavy ion heating and acceleration. We have computed the Fast Fourier Transform (FFT) of transverse and compressional magnetic waves between 0 and 5.5 Hz using 9 days of ACE and Wind Magnetometer data. The FFTs are averaged over plasma measurement cycles to compute statistical correlations between magnetic wave power at each discrete frequency, and ion kinetic properties measured by ACE/SWICS and Wind/SWE. The results show that lower frequency transverse oscillations (< 0.2 Hz) and higher frequency compressional oscillations (> 0.4 Hz) are positively correlated with enhancements in the heavy ion thermal and drift speeds. Moreover, the correlation results for the He2+ and O6+ were similar on most days. The correlations were often weak, but most days had some frequencies that correlated with statistical significance. This work suggests that the solar wind heavy ions are possibly being heated and accelerated by both transverse and compressional waves at different frequencies.

Materials characterization with MeV ions

NASA Astrophysics Data System (ADS)

Conlon, T. W.

1989-04-01

The inherent atomic and nuclear properties of energetic ions in materials can be exploited to characterize as well as to modify materials' properties. In nuclear reactors keV ions from neutron collisions damage containment materials. However, basic studies of the interactions of such ions has yielded improved understanding of their properties and has even led to a tailoring of conditions so that the ions can be made to beneficially modify structures (by ion implantation). At higher energies an understanding of the ion-material interaction provides techniques such as PIXE, RBS, and ERD for nondestructive analysis, either in broad beam or "microbeam" mode. At high energies still penetration of the Coulomb barrier opens up activation methods for materials' characterization (CPAA, NRA, TLA etc.). A short discussion of the general properties of energetic ions in materials is followed by a brief introduction to our generic work in these areas, and some examples of current work in the areas of: activation for the radioisotope labelling of nonmetals, mass resolved ERDA using TOF techniques and submicron MeV microprobes.

HTS techniques for patch clamp-based ion channel screening - advances and economy.

PubMed

Farre, Cecilia; Fertig, Niels

2012-06-01

Ten years ago, the first publication appeared showing patch clamp recordings performed on a planar glass chip instead of using a conventional patch clamp pipette. "Going planar" proved to revolutionize ion channel drug screening as we know it, by allowing high quality measurements of ion channels and their effectors at a higher throughput and at the same time de-skilling the highly laborious technique. Over the years, platforms evolved in response to user requirements regarding experimental features, data handling plus storage, and suitable target diversity. This article gives a snapshot image of patch clamp-based ion channel screening with focus on platforms developed to meet requirements of high-throughput screening environments. The commercially available platforms are described, along with their benefits and drawbacks in ion channel drug screening. Automated patch clamp (APC) platforms allow faster investigation of a larger number of ion channel active compounds or cell clones than previously possible. Since patch clamp is the only method allowing direct, real-time measurements of ion channel activity, APC holds the promise of picking up high quality leads, where they otherwise would have been overseen using indirect methods. In addition, drug candidate safety profiling can be performed earlier in the drug discovery process, avoiding late-phase compound withdrawal due to safety liability issues, which is highly costly and inefficient.

MetaboLyzer: A Novel Statistical Workflow for Analyzing Post-Processed LC/MS Metabolomics Data

PubMed Central

Mak, Tytus D.; Laiakis, Evagelia C.; Goudarzi, Maryam; Fornace, Albert J.

2014-01-01

Metabolomics, the global study of small molecules in a particular system, has in the last few years risen to become a primary –omics platform for the study of metabolic processes. With the ever-increasing pool of quantitative data yielded from metabolomic research, specialized methods and tools with which to analyze and extract meaningful conclusions from these data are becoming more and more crucial. Furthermore, the depth of knowledge and expertise required to undertake a metabolomics oriented study is a daunting obstacle to investigators new to the field. As such, we have created a new statistical analysis workflow, MetaboLyzer, which aims to both simplify analysis for investigators new to metabolomics, as well as provide experienced investigators the flexibility to conduct sophisticated analysis. MetaboLyzer’s workflow is specifically tailored to the unique characteristics and idiosyncrasies of postprocessed liquid chromatography/mass spectrometry (LC/MS) based metabolomic datasets. It utilizes a wide gamut of statistical tests, procedures, and methodologies that belong to classical biostatistics, as well as several novel statistical techniques that we have developed specifically for metabolomics data. Furthermore, MetaboLyzer conducts rapid putative ion identification and putative biologically relevant analysis via incorporation of four major small molecule databases: KEGG, HMDB, Lipid Maps, and BioCyc. MetaboLyzer incorporates these aspects into a comprehensive workflow that outputs easy to understand statistically significant and potentially biologically relevant information in the form of heatmaps, volcano plots, 3D visualization plots, correlation maps, and metabolic pathway hit histograms. For demonstration purposes, a urine metabolomics data set from a previously reported radiobiology study in which samples were collected from mice exposed to gamma radiation was analyzed. MetaboLyzer was able to identify 243 statistically significant ions out of a total of 1942. Numerous putative metabolites and pathways were found to be biologically significant from the putative ion identification workflow. PMID:24266674

MS/MS Automated Selected Ion Chromatograms

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

Monroe, Matthew

2005-12-12

This program can be used to read a LC-MS/MS data file from either a Finnigan ion trap mass spectrometer (.Raw file) or an Agilent Ion Trap mass spectrometer (.MGF and .CDF files) and create a selected ion chromatogram (SIC) for each of the parent ion masses chosen for fragmentation. The largest peak in each SIC is also identified, with reported statistics including peak elution time, height, area, and signal to noise ratio. It creates several output files, including a base peak intensity (BPI) chromatogram for the survey scan, a BPI for the fragmentation scans, an XML file containing the SICmore » data for each parent ion, and a "flat file" (ready for import into a database) containing summaries of the SIC data statistics.« less

Anisotropic ion heating and BBELF waves within the low-altitude ion upflow region

NASA Astrophysics Data System (ADS)

Shen, Y.; Knudsen, D. J.; Burchill, J. K.; James, H. G.; Miles, D. M.

2016-12-01

Previous studies have shown that low-energy (<10 eV) ion upflow energization processes involve multiple steps. At the initial stage, contributions from transverse-to-B ion heating by wave-particle interaction (WPI) are often underestimated. The wave-generation mechanisms, the specific wave modes leading to the ion heating, and the minimum altitude where WPI takes place remain unresolved. With this in mind, we statistically investigate the relation between anisotropic ion temperature enhancements and broadband extremely low frequency (BBELF) wave emissions within the ion upflow region using data from the Suprathermal Electron imager (SEI), the Fluxgate Magnetometer (MGF), and the Radio Receiver Instrument (RRI) onboard the e-POP satellite. Initial results demonstrate that perpendicular-to-B ion temperatures can reach up to 4.3 eV in approximately 1 km wide spatial region near 410 km altitude inside an active auroral surge. Intense small-scale field-aligned currents (FACs) as well as strong BBELF wave emissions, comprising electromagnetic waves below 80 Hz and electrostatic waves above, accompany these ion heating events. The minimum altitude of potential WPI reported here is lower than as previously suggested as 520 km by Frederick-Frost et al. 2007. We measure polarization and power spectral density for specific wave modes to explore the nature of ion heating within the BBELF waves. Acknowledgement: This research is supported by an Eyes High Doctoral Recruitment Scholarship at University of Calgary.

The rapid and direct determination of ATP-ase activity by ion exchange chromatography and the application to the activity of heat shock protein-90

PubMed Central

Bartolini, Manuela; Wainer, Irving W.; Bertucci, Carlo; Andrisano, Vincenza

2012-01-01

Adenosine nucleotides are involved as substrates or co-factors in several biochemical reactions, catalyzed by enzymes, which modulate energy production, signal transduction and cell proliferation. We here report the development and optimization of an ion exchange liquid chromatography (LC) method for the determination of ATP, ADP and AMP. This method is specifically aimed at the determination of the ATP-ase activity of human heat shock protein 90 (Hsp90), a molecular chaperone that has emerged as target enzyme in cancer therapy. Separation of the three nucleotides was achieved in a 15-min run by using a disk shaped monolithic ethylene diamine stationary phase of small dimensions (2×6 mm i.d.), under a three-solvent gradient elution mode and UV detection at 256 nm. The described direct LC method resulted highly specific as a consequence of the baseline separation of the three adenosine nucleotides and could be applied to the determination of the enzymatic activity of ADP/ATP generating or consuming enzymes (such as kinases). Furthermore, comparison of the LOD and LOQ values of the LC method with those obtained with the malachite green assay, which is one of the most used indirect screening methodologies for ATP-ase activity, showed that the LC method has a similar range of application without presenting the drawbacks related to contamination by inorganic phosphate ions and glycerol, which are present in Hsp90 commercial samples. PMID:22497853

Global Characteristics of Electromagnetic Ion Cyclotron Waves Deduced From Swarm Satellites

NASA Astrophysics Data System (ADS)

Kim, Hyangpyo; Hwang, Junga; Park, Jaeheung; Bortnik, Jacob; Lee, Jaejin

2018-02-01

It is well known that electromagnetic ion cyclotron (EMIC) waves play an important role in controlling particle dynamics inside the Earth's magnetosphere, especially in the outer radiation belt. In order to understand the results of wave-particle interactions due to EMIC waves, it is important to know how the waves are distributed and what features they have. In this paper, we present some statistical analyses on the spatial distribution of EMIC waves in the low Earth orbit by using Swarm satellites from December 2013 to June 2017 ( 3.5 years) as a function of magnetic local time, magnetic latitude, and magnetic longitude. We also study the wave characteristics such as ellipticity, wave normal angle, peak frequency, and wave power using our automatic wave detection algorithm based on the method of Bortnik et al. (2007, https://doi.org/10.1029/2006JA011900). We also investigate the geomagnetic control of the EMIC waves by comparing with geomagnetic activity represented by Kp and Dst indices. We find that EMIC waves are detected with a peak occurrence rate at midlatitude including subauroral region, dawn sector (3-7 magnetic local time), and linear polarization dominated with an oblique propagating direction to the background magnetic field. In addition, our result shows that the waves have some relation with geomagnetic activity; that is, they occur preferably during the geomagnetic storm's late recovery phase at low Earth orbit.

Levels of Antioxidant Activity and Fluoride Content in Coffee Infusions of Arabica, Robusta and Green Coffee Beans in According to their Brewing Methods.

PubMed

Wolska, J; Janda, Katarzyna; Jakubczyk, K; Szymkowiak, M; Chlubek, D; Gutowska, I

2017-10-01

Coffee is a rich source of dietary antioxidants, and this property links with the fact that coffee is one of the world's most popular beverages. Moreover, it is a source of macro- and microelements, including fluoride. The aim of this work was to determine antioxidant activity of coffee beverages and fluoride content depending on different coffee species and conditions of brewing. Three species of coffee, arabica, robusta and green coffee beans obtained from retail stores in Szczecin (Poland) were analyzed. Five different techniques of preparing drink were used: simple infusion, french press, espresso maker, overflow espresso and Turkish coffee. Antioxidant potential of coffee beverages was investigated spectrophotometrically by DPPH method. Fluoride concentrations were measured by potentiometric method with a fluoride ion-selective electrode. Statistical analysis was performed using Stat Soft Statistica 12.5. Antioxidant activity of infusions was high (71.97-83.21% inhibition of DPPH) depending on coffee species and beverage preparing method. It has been shown that the method of brewing arabica coffee and green coffee significantly affects the antioxidant potential of infusions. The fluoride concentration in the coffee infusions changed depending, both, on the species and conditions of brewing, too (0.013-0.502 mg/L). Methods of brewing didn't make a difference to the antioxidant potential of robusta coffee, which had also the lowest level of fluoride among studied species. Except overflow espresso, the fluoride content was the highest in beverages from green coffee. The highest fluoride content was found in Turkish coffee from green coffee beans.

78 FR 70059 - Agency Information Collection Activities: Proposed Collection; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-22

... (as opposed to quantitative statistical methods). In consultation with research experts, we have... qualitative interviews (as opposed to quantitative statistical methods). In consultation with research experts... utilization of qualitative interviews (as opposed to quantitative statistical methods). In consultation with...

Enhanced capacity and stability for the separation of cesium in electrically switched ion exchange

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

Tawfic, A.F.; Dickson, S.E.; Kim, Y.

2015-03-15

Electrically switched ion exchange (ESIX) can be used to separate ionic contaminants from industrial wastewater, including that generated by the nuclear industry. The ESIX method involves sequential application of reduction and oxidation potentials to an ion exchange film to induce the respective loading and unloading of cesium. This technology is superior to conventional methods (e.g electrodialysis reversal or reverse osmosis) as it requires very little energy for ionic separation. In previous studies, ESIX films have demonstrated relatively low ion exchange capacities and limited film stabilities over repeated potential applications. In this study, the methodology for the deposition of electro-active filmsmore » (nickel hexacyanoferrate) on nickel electrodes was modified to improve the ion exchange capacity for cesium removal using ESIX. Cyclic voltammetry was used to investigate the ion exchange capacity and stability. Scanning electron microscopy (SEM) was used to characterize the modified film surfaces. Additionally, the films were examined for the separation of cesium ions. This modified film preparation technique enhanced the ion exchange capacity and improves the film stability compared to previous methods for the deposition of ESIX films. (authors)« less

Scalable Dry Printing Manufacturing to Enable Long-Life and High Energy Lithium-Ion Batteries

DOE PAGES

Liu, Jin; Ludwig, Brandon; Liu, Yangtao; ...

2017-08-22

Slurry casting method dominates the electrode manufacture of lithium-ion batteries. The entire procedure is similar to the newspaper printing that includes premixing of cast materials into solvents homogeneously, and continuously transferring and drying the slurry mixture onto the current collector. As a market approaching US $80 billion by 2024, the optimization of manufacture process is crucial and attractive. However, the organic solvent remains irreplaceable in the wet method for making slurries, even though it is capital-intensive and toxic. In this paper, an advanced powder printing technique is demonstrated that is completely solvent-free and dry. Through removing the solvent and relatedmore » procedures, this method is anticipated to statistically save 20% of the cost at a remarkably shortened production cycle (from hours to minutes). The dry printed electrodes outperform commercial slurry cast ones in 650 cycles (80% capacity retention in 500 cycles), and thick electrodes are successfully fabricated to increase the energy density. Furthermore, microscopy techniques are utilized to characterize the difference of electrode microstructure between dry and wet methods, and distinguish dry printing's advantages on controlling the microstructure. Finally, this study proves a practical fabrication method for lithium-ion electrodes with lowered cost and favorable performance, and allows more advanced electrode designs potentially.« less

Scalable Dry Printing Manufacturing to Enable Long-Life and High Energy Lithium-Ion Batteries

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

Liu, Jin; Ludwig, Brandon; Liu, Yangtao

Slurry casting method dominates the electrode manufacture of lithium-ion batteries. The entire procedure is similar to the newspaper printing that includes premixing of cast materials into solvents homogeneously, and continuously transferring and drying the slurry mixture onto the current collector. As a market approaching US $80 billion by 2024, the optimization of manufacture process is crucial and attractive. However, the organic solvent remains irreplaceable in the wet method for making slurries, even though it is capital-intensive and toxic. In this paper, an advanced powder printing technique is demonstrated that is completely solvent-free and dry. Through removing the solvent and relatedmore » procedures, this method is anticipated to statistically save 20% of the cost at a remarkably shortened production cycle (from hours to minutes). The dry printed electrodes outperform commercial slurry cast ones in 650 cycles (80% capacity retention in 500 cycles), and thick electrodes are successfully fabricated to increase the energy density. Furthermore, microscopy techniques are utilized to characterize the difference of electrode microstructure between dry and wet methods, and distinguish dry printing's advantages on controlling the microstructure. Finally, this study proves a practical fabrication method for lithium-ion electrodes with lowered cost and favorable performance, and allows more advanced electrode designs potentially.« less

Functional, Anatomical, and Molecular Investigation of the Cardiac Conduction System and Arrhythmogenic Atrioventricular Ring Tissue in the Rat Heart

PubMed Central

Atkinson, Andrew J.; Logantha, Sunil Jit R. J.; Hao, Guoliang; Yanni, Joseph; Fedorenko, Olga; Sinha, Aditi; Gilbert, Stephen H.; Benson, Alan P.; Buckley, David L.; Anderson, Robert H.; Boyett, Mark R.; Dobrzynski, Halina

2013-01-01

Background The cardiac conduction system consists of the sinus node, nodal extensions, atrioventricular (AV) node, penetrating bundle, bundle branches, and Purkinje fibers. Node‐like AV ring tissue also exists at the AV junctions, and the right and left rings unite at the retroaortic node. The study aims were to (1) construct a 3‐dimensional anatomical model of the AV rings and retroaortic node, (2) map electrical activation in the right ring and study its action potential characteristics, and (3) examine gene expression in the right ring and retroaortic node. Methods and Results Three‐dimensional reconstruction (based on magnetic resonance imaging, histology, and immunohistochemistry) showed the extent and organization of the specialized tissues (eg, how the AV rings form the right and left nodal extensions into the AV node). Multiextracellular electrode array and microelectrode mapping of isolated right ring preparations revealed robust spontaneous activity with characteristic diastolic depolarization. Using laser microdissection gene expression measured at the mRNA level (using quantitative PCR) and protein level (using immunohistochemistry and Western blotting) showed that the right ring and retroaortic node, like the sinus node and AV node but, unlike ventricular muscle, had statistically significant higher expression of key transcription factors (including Tbx3, Msx2, and Id2) and ion channels (including HCN4, Cav3.1, Cav3.2, Kv1.5, SK1, Kir3.1, and Kir3.4) and lower expression of other key ion channels (Nav1.5 and Kir2.1). Conclusions The AV rings and retroaortic node possess gene expression profiles similar to that of the AV node. Ion channel expression and electrophysiological recordings show the AV rings could act as ectopic pacemakers and a source of atrial tachycardia. PMID:24356527

Physics and chemistry of antimicrobial behavior of ion-exchanged silver in glass.

PubMed

Borrelli, N F; Senaratne, W; Wei, Y; Petzold, O

2015-02-04

The results of a comprehensive study involving the antimicrobial activity in a silver ion-exchanged glass are presented. The study includes the glass composition, the method of incorporating silver into the glass, the effective concentration of the silver available at the glass surface, and the effect of the ambient environment. A quantitative kinetic model that includes the above factors in predicting the antimicrobial activity is proposed. Finally, experimental data demonstrating antibacterial activity against Staphylococcus aureus with correlation to the predicted model is shown.

AUREOL-3 observations of new boundaries in the auroral ion precipitation

NASA Technical Reports Server (NTRS)

Bosqued, Jean M.; Ashour-Abdalla, Maha; El Alaoui, Mostafa; Zelenyj, Lev M.; Berthlier, Annick

1993-01-01

Interesting and well-separated structures in the 1-20 keV ion precipitation pattern have been revealed by an analysis of more than 50 crossings of the nightside (21-03 MLT) auroral zone by the AUREOL-3 satellite. First, velocity-dispersed ion structures (VDIS) are crossed near the poleward edge of the oval, and are the best ionospheric signature of ion beams flowing along the plasma sheet boundary layer. Proceeding equatorward, a large majority of VDIS events are bounded by a new and interesting narrow band of strongly reduced precipitation, or a gap, which delineates VDIS from the diffuse precipitation region connected to the CPS. A statistical analysis shows that the gap has an extent of about 1-2 deg, which is almost independent of magnetic activity; its location, about 70 deg ILAT, shifts significantly equatorward with higher magnetic activity levels. Intense electron arcs are observed near the equatorward edge of the gap. An important result is that the overall sequence of VDIS-gap-CPS can be explained in terms of orbital dynamics in the tail. The gap in precipitation appears as the counterpart of the 'wall' regime in the equatorial plane, in which a cross-tail current carried by energetic ions is strongly enhanced between 8 and 12 R(E). This region has important consequences for the development of substorms.

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

Luo, Qingtao; Li, Liyu; Nie, Zimin

We will show a new method to differentiate the vanadium transport from concentration gradient and that from electric field. Flow batteries with vanadium and iron redox couples as the electro-active species were employed to investigate the transport behavior of vanadium ions in the presence of electric field. It was shown that electric field accelerated the positive-to-negative and reduced the negative-to-positive vanadium ions transport in charge process and affected the vanadium ions transport in an opposite way in discharge process. In addition, a method was designed to differentiate the concentration gradient-driven vanadium ions diffusion and electric field-driven vanadium ions migration. Simplifiedmore » mathematical model was established to simulate the vanadium ions transport in real charge-discharge operation of flow battery. The concentration gradient diffusion coefficients and electric-migration coefficients of V2+, V3+, VO2+, and VO2+ across Nafion membrane were obtained by fitting the experimental data.« less

Determination of Pb2+ metal ion level in liquid waste from adsorption process by combination adsorbent of rice husk and water hyacinth charcoal using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Saputro, S.; Masykuri, M.; Mahardiani, L.; Hidayah, AN

2018-03-01

This research are to find out the influence of adsorbent composition between rice husk and water hyacinth in decreasing of Pb2+ ion in simulation liquid waste; the optimumcomposition of combination adsorbent of rice husk and water hyacinth charcoal on Pb2+ ion adsorption; and theeffectivenessof SPS as a method to determine the decreasing level of Pb2+ ion in simulation liquid waste by combination adsorbent of rice husk and water hyacinth charcoal in µg/L level. Rice husk and water hyacinth carbonization using muffle furnace at 350°C for 1 hour. Rice husk charcoal activation in a 2 N NaOH solution and water hyacinth charcoal activated in a 5 M HCl solution. Contacting the combination adsorbent of rice husk and water hyacinth charcoal with a Pb2+ solution with variation of mass composition, 1:0 ; 0:1 ; 1:1 ; 1:2 and 2:1. Analysis of the Pb2+ ion level using SPS method. Characterization of rice husk and water hyacinth charcoal using the FTIR. The results showed that the combination adsorbent composition of rice husk and water hyacinth charcoal have an impact on decreasing Pb2+ ion level. The optimum composition of combination adsorbent of rice husk and water hyacinth charcoal on the adsorption Pb2+ ion is 1:2. SPS is an effective method to determine the decreasing Pb2+ ion in simulation liquid waste from the adsorption process by combination adsorbent of rice husk and water hyacinth in µg/L, with Limit of Detection (LOD) was 0,06 µg/L.

Excess zinc ions are a competitive inhibitor for carboxypeptidase A

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

Hirose, J.; Ando, S.; Kidani, Y.

The mechanism for inhibition of enzyme activity by excess zinc ions has been studied by kinetic and equilibrium dialysis methods at pH 8.2, I = 0.5 M. With carboxypeptidase A (bovine pancreas), peptide (carbobenzoxyglycyl-L-phenylalanine and hippuryl-L-phenylalanine) and ester (hippuryl-L-phenyl lactate) substrates were inhibited competitively by excess zinc ions. The K/sub i/ values for excess zinc ions with carboxypeptidase A at pH 8.2 are all similar. The apparent constant for dissociation of excess zinc ions from carboxypeptidase A was also obtained by equilibrium dialysis at pH 8.2 and was 2.4 x 10/sup -5/ M, very close to the K/sub i/ valuesmore » above. With arsanilazotyrosine-248 carboxypeptidase A ((Azo-CPD)Zn)), hippuryl-L-phenylalanine, carbobenzoxyglycyl-L-phenylalanine, and hippuryl-L-phenyl lactate were also inhibited with a competitive pattern by excess zinc ions, and the K/sub i/ values were (3.0-3.5) x 10/sup -5/ M. The apparent constant for dissociation of excess zinc ions from arsanilazotyrosine-248 carboxypeptidase A, which was obtained from absorption changes at 510 nm, was 3.2 x 10/sup -5/ M and is similar to the K/sub i/ values for ((Azo-CPD)Zn). The apparent dissociation and inhibition constants, which were obtained by inhibition of enzyme activity and spectrophotometric and equilibrium dialysis methods with native carboxypeptidase A and arsanilazotyrosine-248 carboxypeptidase A, were almost the same. This agreement between the apparent dissociation and inhibition constants indicates that the zinc binding to the enzymes directly relates to the inhibition of enzyme activity by excess zinc ions. Excess zinc ions were competitive inhibitors for both peptide and ester substrates. This behavior is believed to arise by the excess zinc ions fixing the enzyme in a conformation to which the substrates cannot bind.« less

Method of making an ion-implanted planar-buried-heterostructure diode laser

DOEpatents

Brennan, Thomas M.; Hammons, Burrell E.; Myers, David R.; Vawter, Gregory A.

1992-01-01

Planar-buried-heterostructure, graded-index, separate-confinement-heterostructure semiconductor diode laser 10 includes a single quantum well or multi-quantum well active stripe 12 disposed between a p-type compositionally graded Group III-V cladding lever 14 and an n-type compositionally graded Group III-V cladding layer 16. The laser 10 includes an iion implanted n-type region 28 within the p-type cladding layer 14 and further includes an ion implanted p-type region 26 within the n-type cladding layer 16. The ion implanted regions are disposed for defining a lateral extent of the active stripe.

Composition of inner-source heavy pickup ions at 1 AU: SOHO/CELIAS/CTOF observations. Implications for the production mechanisms

NASA Astrophysics Data System (ADS)

Taut, A.; Berger, L.; Drews, C.; Wimmer-Schweingruber, R. F.

2015-04-01

Context. Pickup ions in the inner heliosphere mainly originate in two sources, one interstellar and one in the inner solar system. In contrast to the interstellar source that is comparatively well understood, the nature of the inner source has not been clearly identified. Former results obtained with the Solar Wind Ion Composition Spectrometer on-board the Ulysses spacecraft revealed that the composition of inner-source pickup ions is similar, but not equal, to the elemental solar-wind composition. These observations suffered from very low counting statistics of roughly one C+ count per day. Aims: Because the composition of inner-source pickup ions could lead to identifying their origin, we used data from the Charge-Time-Of-Flight sensor on-board the Solar and Heliospheric Observatory. It offers a large geometry factor that results in about 100 C+ counts per day combined with an excellent mass-per-charge resolution. These features enable a precise determination of the inner-source heavy pickup ion composition at 1 AU. To address the production mechanisms of inner-source pickup ions, we set up a toy model based on the production scenario involving the passage of solar-wind ions through thin dust grains to explain the observed deviations of the inner-source PUI and the elemental solar-wind composition. Methods: An in-flight calibration of the sensor allows identification of heavy pickup ions from pulse height analysis data by their mass-per-charge. A statistical analysis was performed to derive the inner-source heavy pickup ion relative abundances of N+, O+, Ne+, Mg+, Mg2+, and Si+ compared to C+. Results: Our results for the inner-source pickup ion composition are in good agreement with previous studies and confirm the deviations from the solar-wind composition. The large geometry factor of the Charge-Time-of-Flight sensor even allowed the abundance ratios of the two most prominent pickup ions, C+ and O+, to be investigated at varying solar-wind speeds. We found that the O+/C+ ratio increases systematically with higher solar-wind speeds. This observation is an unprecedented feature characterising the production of inner-source pickup ions. Comparing our observations to the toy model results, we find that both the deviation from the solar-wind composition and the solar-wind-speed dependent O+/C+ ratio can be explained.

Simultaneous determination of inorganic and organic ions in plant parts of Betula pendula from two different types of ecosystems (Wielkopolski National Park and Chemical Plant in Luboń, Poland).

PubMed

Frankowski, Marcin

2016-06-01

The results of inorganic and organic anion concentrations in samples of soils and plant parts of Betula pendula (tap roots, lateral roots, stem, twigs, leaves), in the bioavailable fraction, are presented in this study. An ion chromatography method was applied for the first time in the simultaneous determination of inorganic and organic anions, as an effective tool for qualitative and quantitative analysis of samples with different matrix. A linear gradient elution with potassium hydroxide allowed for the separation of both inorganic and organic ions such as: F(-), CH3COO(-), HCOO(-), Cl(-), NO2 (-), Br(-) and NO3 (-), SO4 (2-), CH2(COO)2 (2-), C2O4 (2-), PO4 (3-) and C3H5O(COO)3 (3-). The samples of soils and plant parts of B. pendula from the area of the Wielkopolski National Park (WNP) and the Chemical Plant in Luboń (LU; protected vs. contaminated area) were selected for the study. The obtained results indicated that such inorganic ions as: F(-), Cl(-), NO3 (-) and PO4 (3-) are quite easily transported from soil to leaves. In contrast, the mechanism of migration could not be clearly defined for SO4 (2-) because the ion was retained in roots of many of the analysed samples. Significantly higher bioavailability of inorganic ions was observed for samples collected from the area of the WNP. Phosphates were the only ions which showed no variation in their concentrations between the two sampling sites, both for soils and plant parts of B. pendula. None of the organic anions was detected in soil samples. The acetate, formate, malonate, oxalate and citrate ions were detected in all leaf samples. The statistical analysis allowed the author to determine the mechanism of ion migration and accumulation in leaves and, additionally, determine the variation in the occurrence of inorganic and organic ions depending on the sampling site (WNP vs. LU). The results of the statistical analysis were confirmed by the bioacumulation (BF) and translocation (TF) factors.

Effect of the chelation of metal cation on the antioxidant activity of chondroitin sulfates.

PubMed

Ajisaka, Katsumi; Oyanagi, Yutaka; Miyazaki, Tatsuo; Suzuki, Yasuhiro

2016-06-01

The antioxidant potencies of chondroitin sulfates (CSs) from shark cartilage, salmon cartilage, bovine trachea, and porcine intestinal mucosa were compared by three representative methods for the measurement of the antioxidant activity; DPPH radical scavenging activity, superoxide radical scavenging activity, and hydroxyl radical scavenging activity. CSs from salmon cartilage and bovine trachea showed higher potency in comparison with CSs from shark cartilage and porcine intestinal mucosa. Next, CS from salmon cartilage chelating with Ca(2+), Mg(2+), Mn(2+), or Zn(2+) were prepared, and their antioxidant potencies were compared. CS chelating with Ca(2+) or Mg(2+) ions showed rather decreased DPPH radical scavenging activity in comparison with CS of H(+) form. In contrast, CS chelating with Ca(2+) or Mg(2+) ion showed remarkably enhanced superoxide radical scavenging activity than CS of H(+) or Na(+) form. Moreover, CS chelating with divalent metal ions, Ca(2+), Mg(2+), Mn(2+), or Zn(2+), showed noticeably higher hydroxyl radical scavenging activity than CS of H(+) or Na(+) form. The present results revealed that the scavenging activities of, at least, superoxide radical and hydroxyl radical were enhanced by the chelation with divalent metal ions.

[Application of precursor ion scanning method in rapid screening of illegally added phosphodiesterase-5 inhibitors and their unknown derivatives in Chinese traditional patent medicines and health foods].

PubMed

Sun, Jing; Cao, Ling; Feng, Youlong; Tan, Li

2014-11-01

The compounds with similar structure often have similar pharmacological activities. So it is a trend for illegal addition that new derivatives of effective drugs are synthesized to avoid the statutory test. This bring challenges to crack down on illegal addition behavior, however, modified derivatives usually have similar product ions, which allow for precursor ion scanning. In this work, precursor ion scanning mode of a triple quadrupole mass spectrometer was first applied to screen illegally added drugs in complex matrix such as Chinese traditional patent medicines and healthy foods. Phosphodiesterase-5 inhibitors were used as experimental examples. Through the analysis of the structure and mass spectrum characteristics of the compounds, phosphodiesterase-5 inhibitors were classified, and their common product ions were screened by full scan of product ions of typical compounds. Then high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method with precursor ion scanning mode was established based on the optimization of MS parameters. The effect of mass parameters and the choice of fragment ions were also studied. The method was applied to determine actual samples and further refined. The results demonstrated that this method can meet the need of rapid screening of unknown derivatives of phosphodiesterase-5 inhibitors in complex matrix, and prevent unknown derivatives undetected. This method shows advantages in sensitivity, specificity and efficiency, and is worth to be further investigated.

Stats on the Cheap: Using Free and Inexpensive Internet Resources to Enhance the Teaching of Statistics and Research Methods

ERIC Educational Resources Information Center

Hartnett, Jessica L.

2013-01-01

The present article describes four free or inexpensive Internet-based activities that can be used to supplement statistics/research methods/general psychology classes. Each activity and subsequent homework assessment is described, as well as homework performance outcome and student opinion data for each activity. (Contains 1 table.)

Inorganic species distribution and microbial diversity within high Arctic cryptoendolithic habitats.

PubMed

Omelon, Christopher R; Pollard, Wayne H; Ferris, F Grant

2007-11-01

Cryptoendolithic habitats in the Canadian high Arctic are associated with a variety of microbial community assemblages, including cyanobacteria, algae, and fungi. These habitats were analyzed for the presence of metal ions by sequential extraction and evaluated for relationships between these and the various microorganisms found at each site using multivariate statistical methods. Cyanobacteria-dominated communities exist under higher pH conditions with elevated concentrations of calcium and magnesium, whereas communities dominated by fungi and algae are characterized by lower pH conditions and higher concentrations of iron, aluminum, and silicon in the overlying surfaces. These results suggest that the activity of the dominant microorganisms controls the pH of the surrounding environment, which in turn dictates rates of weathering or the possibility for surface crust formation, both ultimately deciding the structure of microbial diversity for each cryptoendolithic habitat.

Porous, Hyper-cross-linked, Three-Dimensional Polymer as Stable, High Rate Capability Electrode for Lithium-Ion Battery.

PubMed

Mukherjee, Debdyuti; Gowda Y K, Guruprasada; Makri Nimbegondi Kotresh, Harish; Sampath, S

2017-06-14

Organic materials containing active carbonyl groups have attracted considerable attention as electrodes in Li-ion batteries due to their reversible redox activity, ability to retain capacity, and, in addition, their ecofriendly nature. Introduction of porosity will help accommodate as well as store small ions and molecules reversibly. In the present work, we introduce a mesoporous triptycene-related, rigid network polymer with high specific surface area as an electrode material for rechargeable Li-ion battery. The designed polymer with a three-dimensional (3D), rigid porous network allows free movement of ions/electrolyte as well as helps in interacting with the active anhydride moieties (containing two carbonyl groups). Considerable intake of Li + ions giving rise to very high specific capacity of 1100 mA h g -1 at a discharge current of 50 mA g -1 and ∼120 mA h g -1 at a high discharge current of 3 A g -1 are observed with excellent cyclability up to 1000 cycles. This remarkable rate capability, which is one of the highest among the reported organic porous polymers to date, makes the triptycene-related rigid 3D network a very good choice for Li-ion batteries and opens up a new method to design polymer-based electrode materials for metal-ion battery technology.

THE ROLE OF INORGANIC ION IMBALANCE IN AQUATIC TOXICITY TESTING

EPA Science Inventory

Effluent toxicity testing methods have been well defined, but to a large part have not attempted to segregate the effects of active ionic concentrations and ion imbalances upon test and species performances. The role that various total dissolved solids in effluents have on regula...

Effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst

NASA Astrophysics Data System (ADS)

Zhang, Jinjun; Wang, Xiaoyan; Wang, Jimei; Wang, Jing; Ji, Zhijiang

2016-01-01

TiO2 nanoparticles were immobilized on diatomite by hydrolysis-deposition method using titanium tetrachloride as precursor. The effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst was characterized by TG-DSC, XRD, BET surface area, SEM, FT-IR spectroscopy, XPS and UV-vis diffuse reflectance spectra. The results indicate that addition of a small amount of sulfate ions promotes the formation of anatase phase and inhibits the transformation from anatase to rutile. On the other hand, sulfate ions immobilized on the surface of TiO2/diatomite have strong affinity for electrons, capturing the photo-generated electrons, which hinders the recombination of electrons and holes.

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

NASA Astrophysics Data System (ADS)

Ranković, Miloš Lj.; Giuliani, Alexandre; Milosavljević, Aleksandar R.

2016-02-01

We have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS2) and allows performing action spectroscopy. Electron impact MS2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1 s excitation. Both MS2 and single ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.

Entangling spin-spin interactions of ions in individually controlled potential wells

NASA Astrophysics Data System (ADS)

Wilson, Andrew; Colombe, Yves; Brown, Kenton; Knill, Emanuel; Leibfried, Dietrich; Wineland, David

2014-03-01

Physical systems that cannot be modeled with classical computers appear in many different branches of science, including condensed-matter physics, statistical mechanics, high-energy physics, atomic physics and quantum chemistry. Despite impressive progress on the control and manipulation of various quantum systems, implementation of scalable devices for quantum simulation remains a formidable challenge. As one approach to scalability in simulation, here we demonstrate an elementary building-block of a configurable quantum simulator based on atomic ions. Two ions are trapped in separate potential wells that can individually be tailored to emulate a number of different spin-spin couplings mediated by the ions' Coulomb interaction together with classical laser and microwave fields. We demonstrate deterministic tuning of this interaction by independent control of the local wells and emulate a particular spin-spin interaction to entangle the internal states of the two ions with 0.81(2) fidelity. Extension of the building-block demonstrated here to a 2D-network, which ion-trap micro-fabrication processes enable, may provide a new quantum simulator architecture with broad flexibility in designing and scaling the arrangement of ions and their mutual interactions. This research was funded by the Office of the Director of National Intelligence (ODNI), Intelligence Advanced Research Projects Activity (IARPA), ONR, and the NIST Quantum Information Program.

A double-cusp type electrostatic analyzer for high-cadence ring current ion measurements

NASA Astrophysics Data System (ADS)

Ogasawara, K.; Allegrini, F.; Burch, J. L.; Desai, M. I.; Ebert, R. W.; Goldstein, J.; John, J. M.; Livi, S. A.; McComas, D. J.

2015-12-01

Detailed observations of a variety of ion species at a sufficiently high temporal resolution are essential to understanding the loss and acceleration processes of ring current ions. For example, CRESS/MICS observations indicated that the energy density of suprathermal O+ exceeds that of H+ in large magnetic storms (Daglis et al., 1997), while the H+ energy density dominates under quiet conditions. However, the primary ion loss processes during the storm recovery phase are still incompletely understood. The mechanisms to accelerate upflowing ions, regularly observed with energies of a few keV at ~1000 km altitude, up to the 100s-keV range in the geospace are also not fully understood. Our novel electrostatic analyzer (ESA) employs a toroidal double-shell structure to cover the entire ring current ion range of ~3-250 keV/Q with high temporal resolution (<1 minute with a necessary counting statistics for the quiet time), while saving significant resources in mass and size. In this presentation, we discuss the operation principle and the proof of concept study of the ESA in terms of numerical calculations and ion beam calibration activities. This presentation comprehensively covers the expected sensor performance important for the in-flight capabilities, such as sensor parameters (G-factor, K-factor, and energy resolution), cross-shell contaminations, and UV background counts.

A field evaluation of a SO 2 passive sampler in tropical industrial and urban air

NASA Astrophysics Data System (ADS)

Cruz, Lícia P. S.; Campos, Vânia P.; Silva, Adriana M. C.; Tavares, Tania M.

Passive samplers have been widely used for over 30 years in the measurement of personal exposure to vapours and gases in the workplace. These samplers have just recently been applied in the monitoring of ambient air, which presents concentrations that are normally much smaller than those found in occupational environments. The locally constructed passive sampler was based on gas molecular diffusion through static air layer. The design used minimizes particle interference and turbulent diffusion. After exposure, the SO 2 trapped in impregnated filters with Na 2CO 3 was extracted by means of an ultrasonic bath, for 15 min, using 1.0×10 -2 mol L -1 H 2O 2. It was determined as SO 4-2 by ion chromatography. The performance of the passive sampler was evaluated at different exposure periods, being applied in industrial and urban areas. Method precision as relative standard deviation for three simultaneously applied passive samplers was within 10%. Passive sampling, when compared to active monitoring methods under real conditions, used in urban and industrial areas, showed an overall accuracy of 15%. A statistical comparison with an active method was performed to demonstrate the validity of the passive method. Sampler capacity varied between 98 and 421 μg SO 2 m -3 for exposure periods of one month and one week, respectively, which allows its use in highly polluted areas.

Activation of Reactive MALDI Adduct Ions Enables Differentiation of Dihydroxylated Vitamin D Isomers

NASA Astrophysics Data System (ADS)

Qi, Yulin; Müller, Miriam J.; Volmer, Dietrich A.

2017-12-01

Vitamin D compounds are secosteroids, which are best known for their role in bone health. More recent studies have shown that vitamin D metabolites and catabolites such as dihydroxylated species (e.g., 1,25- and 24,25-dihydroxyvitamin D3) play key roles in the pathologies of various diseases. Identification of these isomers by mass spectrometry is challenging and currently relies on liquid chromatography, as the isomers exhibit virtually identical product ion spectra under collision induced dissociation conditions. Here, we developed a simple MALDI-CID method that utilizes ion activation of reactive analyte/matrix adducts to distinguish isomeric dihydroxyvitamin D3 species, without the need for chromatography separation or chemical derivatization techniques. Specifically, reactive 1,5-diaminonaphthalene adducts of dihydroxyvitamin D3 compounds formed during MADI were activated and specific cleavages in the secosteroid's backbone structure were achieved that produced isomer-diagnostic fragment ions. [Figure not available: see fulltext.

Magnetic Graphene Nanosheet-Based Microfluidic Device for Homogeneous Real-Time Electronic Monitoring of Pyrophosphatase Activity Using Enzymatic Hydrolysate-Induced Release of Copper Ion.

PubMed

Lin, Youxiu; Zhou, Qian; Li, Juan; Shu, Jian; Qiu, Zhenli; Lin, Yuping; Tang, Dianping

2016-01-05

A novel flow-through microfluidic device based on a magneto-controlled graphene sensing platform was designed for homogeneous electronic monitoring of pyrophosphatase (PPase) activity; enzymatic hydrolysate-induced release of inorganic copper ion (Cu(2+)) from the Cu(2+)-coordinated pyrophosphate ions (Cu(2+)-PPi) complex was assessed to determine enzyme activity. Magnetic graphene nanosheets (MGNS) functionalized with negatively charged Nafion were synthesized by using the wet-chemistry method. The Cu(2+)-PPi complexes were prepared on the basis of the coordination reaction between copper ion and inorganic pyrophosphate ions. Upon target PPase introduction into the detection system, the analyte initially hydrolyzed pyrophosphate ions into phosphate ions and released the electroactive copper ions from Cu(2+)-PPi complexes. The released copper ions could be readily captured through the negatively charged Nafion on the magnetic graphene nanosheets, which could be quantitatively monitored by using the stripping voltammetry on the flow-through detection cell with an external magnet. Under optimal conditions, the obtained electrochemical signal exhibited a high dependence on PPase activity within a dynamic range from 0.1 to 20 mU mL(-1) and allowed the detection at a concentration as low as 0.05 mU mL(-1). Coefficients of variation for reproducibility of the intra-assay and interassay were below 7.6 and 9.8%, respectively. The inhibition efficiency of sodium fluoride (NaF) also received good results in pyrophosphatase inhibitor screening research. In addition, the methodology afforded good specificity and selectivity, simplification, and low cost without the need of sample separations and multiple washing steps, thus representing a user-friendly protocol for practical utilization in a quantitative PPase activity.

The rapid and direct determination of ATPase activity by ion exchange chromatography and the application to the activity of heat shock protein-90.

PubMed

Bartolini, Manuela; Wainer, Irving W; Bertucci, Carlo; Andrisano, Vincenza

2013-01-25

Adenosine nucleotides are involved as substrates or co-factors in several biochemical reactions, catalyzed by enzymes, which modulate energy production, signal transduction and cell proliferation. We here report the development and optimization of an ion exchange liquid chromatography (LC) method for the determination of ATP, ADP and AMP. This method is specifically aimed at the determination of the ATP-ase activity of human heat shock protein 90 (Hsp90), a molecular chaperone that has emerged as target enzyme in cancer therapy. Separation of the three nucleotides was achieved in a 15-min run by using a disk shaped monolithic ethylene diamine stationary phase of small dimensions (2mm×6mm i.d.), under a three-solvent gradient elution mode and UV detection at 256nm. The described direct LC method resulted highly specific as a consequence of the baseline separation of the three adenosine nucleotides and could be applied to the determination of the enzymatic activity of ADP/ATP generating or consuming enzymes (such as kinases). Furthermore, comparison of the LOD and LOQ values of the LC method with those obtained with the malachite green assay, which is one of the most used indirect screening methodologies for ATP-ase activity, showed that the LC method has a similar range of application without presenting the drawbacks related to contamination by inorganic phosphate ions and glycerol, which are present in Hsp90 commercial samples. Copyright © 2012 Elsevier B.V. All rights reserved.

A statistical study of ion pitch-angle distributions

NASA Technical Reports Server (NTRS)

Sibeck, D. G.; Mcentire, R. W.; Lui, A. T. Y.; Krimigis, S. M.

1987-01-01

Preliminary results of a statistical study of energetic (34-50 keV) ion pitch-angle distributions (PADs) within 9 Re of earth provide evidence for an orderly pattern consistent with both drift-shell splitting and magnetopause shadowing. Normal ion PADs dominate the dayside and inner magnetosphere. Butterfly PADs typically occur in a narrow belt stretching from dusk to dawn through midnight, where they approach within 6 Re of earth. While those ion butterfly PADs that typically occur on closed drift paths are mainly caused by drift-shell splitting, there is also evidence for magnetopause shadowing in observations of more frequent butterfly PAD occurrence in the outer magnetosphere near dawn than dusk. Isotropic and gradient boundary PADs terminate the tailward extent of the butterfly ion PAD belt.

Combined effects of water temperature and copper ion concentration on catalase activity in Crassostrea ariakensis

NASA Astrophysics Data System (ADS)

Wang, Hui; Yang, Hongshuai; Liu, Jiahui; Li, Yanhong; Liu, Zhigang

2015-07-01

A central composite experimental design and response surface method were used to investigate the combined effects of water temperature (18-34°C) and copper ion concentration (0.1-1.5 mg/L) on the catalase (CAT) activity in the digestive gland of Crassostrea ariakensis. The results showed that the linear effects of temperature were significant ( P<0.01), the quadratic effects of temperature were significant ( P<0.05), the linear effects of copper ion concentration were not significant ( P>0.05), and the quadratic effects of copper ion concentration were significant ( P<0.05). Additionally, the synergistic effects of temperature and copper ion concentration were not significant ( P>0.05), and the effect of temperature was greater than that of copper ion concentration. A model equation of CAT enzyme activity in the digestive gland of C. ariakensis toward the two factors of interest was established, with R 2, Adj. R 2 and Pred. R 2 values as high as 0.943 7, 0.887 3 and 0.838 5, respectively. These findings suggested that the goodness of fit to experimental data and predictive capability of the model were satisfactory, and could be practically applied for prediction under the conditions of the study. Overall, the results suggest that the simultaneous variation of temperature and copper ion concentration alters the activity of the antioxidant enzyme CAT by modulating active oxygen species metabolism, which may be utilized as a biomarker to detect the effects of copper pollution.

3D visualization of solar wind ion data from the Chang'E-1 exploration

NASA Astrophysics Data System (ADS)

Zhang, Tian; Sun, Yankui; Tang, Zesheng

2011-10-01

Chang'E-1 (abbreviation CE-1), China's first Moon-orbiting spacecraft launched in 2007, carried equipment called the Solar Wind Ion Detector (abbreviation SWID), which sent back tens of gigabytes of solar wind ion differential number flux data. These data are essential for furthering our understanding of the cislunar space environment. However, to fully comprehend and analyze these data presents considerable difficulties, not only because of their huge size (57 GB), but also because of their complexity. Therefore, a new 3D visualization method is developed to give a more intuitive representation than traditional 1D and 2D visualizations, and in particular to offer a better indication of the direction of the incident ion differential number flux and the relative spatial position of CE-1 with respect to the Sun, the Earth, and the Moon. First, a coordinate system named Selenocentric Solar Ecliptic (SSE) which is more suitable for our goal is chosen, and solar wind ion differential number flux vectors in SSE are calculated from Geocentric Solar Ecliptic System (GSE) and Moon Center Coordinate (MCC) coordinates of the spacecraft, and then the ion differential number flux distribution in SSE is visualized in 3D space. This visualization method is integrated into an interactive visualization analysis software tool named vtSWIDs, developed in MATLAB, which enables researchers to browse through numerous records and manipulate the visualization results in real time. The tool also provides some useful statistical analysis functions, and can be easily expanded.

Determination of phosphate in natural waters by activation analysis of tungstophosphoric acid

USGS Publications Warehouse

Allen, Herbert E.; Hahn, Richard B.

1969-01-01

Activation analysis may be used to determine quantitatively traces of phosphate in natural waters. Methods based on the reaction 31P(n,γ)32P are subject to interference by sulfur and chlorine which give rise to 32P through n,p and n,α reactions. If the ratio of phosphorus to sulfur or chlorine is small, as it is in most natural waters, accurate analyses by these methods are difficult to achieve. In the activation analysis method, molybdate and tungstate ions are added to samples containing phosphate ion to form tungstomolybdophosphoric acid. The complex is extracted with 2,6-dimethyl-4-heptanone. After activation of an aliquot of the organic phase for 1 hour at a flux of 1013 neutrons per cm2, per second, the gamma spectrum is essentially that of tungsten-187. The induced activity is proportional to the concentration of phosphate in the sample. A test of the method showed it to give accurate results at concentrations of 4 to at least 200 p.p.b. of phosphorus when an aliquot of 100 μl. was activated. By suitable reagent purification, counting for longer times, and activation of larger aliquots, the detection limit could be lowered several hundredfold.

Preconcentration of Sn (II) using the methylene blue on the activated carbon and its determination by spectrophotometry method.

PubMed

Khodadoust, Saeid; Cham Kouri, Narges

2014-04-05

A simple and accurate spectrophotometric method for determination of trace amounts of Sn (II) ion in soil sample was developed by using the methylene blue (MB) in the presence of activated carbon (AC) as the adsorbent Solid Phase Extraction (SPE) of Sn (II) and then determined by UV-Vis. The Beer's law is obeyed over the concentration range of 1-80ngmL(-1) of Sn (II) with the detection limits of 0.34ngmL(-1). The influence of type and volume of eluent, concentration of MB, pH, and amount of AC on sensitivity of spectrophotometric method were optimized. The method has been successfully applied for Sn (II) ion determination in soil sample. Copyright © 2013 Elsevier B.V. All rights reserved.

Observations of Penetration Electric Fields and Sub-Auroral Ion Drifts With Mid-Latitude SuperDARN Radars

NASA Astrophysics Data System (ADS)

Baker, J. B.; Greenwald, R. A.; Yin, Y.; Ruohoniemi, J. M.; Clausen, L.; Frissell, N. A.; Ribeiro, A. J.

2009-12-01

The Super Dual Auroral Radar Network (SuperDARN) provides continuous Doppler measurements of ionospheric plasma convection over extended spatial scales with high temporal resolution. First generation SuperDARN radars were constructed at magnetic latitudes near 60 degrees to optimize coverage during periods of moderate geomagnetic activity. In recent years there has been an expansion of the network to middle latitudes to increase coverage during enhanced geomagnetic activity, such as during magnetic storms. In this paper we present measurements of prompt penetration electric fields and sub-auroral ion drift (SAID) events observed by the Wallops and Blackstone radars at middle latitudes. Together, these two radars provide a capability to continuously examine the temporal evolution of these features over an extended local time sector. We present case studies and statistical results showing that transient sub-auroral flow enhancements occur over a wide range of magnetospheric disturbance levels and are often highly correlated with activity at higher latitudes.

Status of selected ion flow tube MS: accomplishments and challenges in breath analysis and other areas.

PubMed

Smith, David; Španěl, Patrik

2016-06-01

This article reflects our observations of recent accomplishments made using selected ion flow tube MS (SIFT-MS). Only brief descriptions are given of SIFT-MS as an analytical method and of the recent extensions to the underpinning analytical ion chemistry required to realize more robust analyses. The challenge of breath analysis is given special attention because, when achieved, it renders analysis of other air media relatively straightforward. Brief overviews are given of recent SIFT-MS breath analyses by leading research groups, noting the desirability of detection and quantification of single volatile biomarkers rather than reliance on statistical analyses, if breath analysis is to be accepted into clinical practice. A 'strengths, weaknesses, opportunities and threats' analysis of SIFT-MS is made, which should help to increase its utility for trace gas analysis.

Effect of calcination temperature of a copper ferrite synthesized by a sol-gel method on its structural characteristics and performance as Fenton catalyst to remove gallic acid from water.

PubMed

López-Ramón, María V; Álvarez, Miguel A; Moreno-Castilla, Carlos; Fontecha-Cámara, María A; Yebra-Rodríguez, África; Bailón-García, Esther

2018-02-01

A copper ferrite synthesized by a sol-gel combustion method was calcined at different temperatures up to 800°C, determining changes in its structural characteristics and magnetic measurements and studying its catalytic performance in gallic acid removal by Fenton reaction. The main objective was to study the effect of the calcination temperature of copper ferrite on its crystalline phase formation and transformation, activity and metal ion leaching. The cubic-to-tetragonal transformation of the spinel occurred via its reaction with the CuO phase, displacing Fe 3+ ions in B (octahedral) sites out of the spinel structure by the following reaction: 2Fe 3+ B +3CuO→Fe 2 O 3 +3Cu 2+ B . The catalysts showed superparamagnetic or substantial superparamagnetic behaviour. At higher calcination temperatures, catalyst activity was lower, and Cu ion leaching was markedly decreased. There was no Fe ion leaching with any catalyst. The as-prepared catalyst showed better catalytic performance than a commercial copper ferrite. Leached Cu ions acted as homogeneous catalysts, and their contribution to the overall removal mechanism was examined. Cu 2 O present in the as-prepared catalysts made only a small contribution to their activity. Finally, the reutilization of various catalysts was studied by performing different catalytic cycles. Copyright © 2017 Elsevier Inc. All rights reserved.

Linear regression models and k-means clustering for statistical analysis of fNIRS data.

PubMed

Bonomini, Viola; Zucchelli, Lucia; Re, Rebecca; Ieva, Francesca; Spinelli, Lorenzo; Contini, Davide; Paganoni, Anna; Torricelli, Alessandro

2015-02-01

We propose a new algorithm, based on a linear regression model, to statistically estimate the hemodynamic activations in fNIRS data sets. The main concern guiding the algorithm development was the minimization of assumptions and approximations made on the data set for the application of statistical tests. Further, we propose a K-means method to cluster fNIRS data (i.e. channels) as activated or not activated. The methods were validated both on simulated and in vivo fNIRS data. A time domain (TD) fNIRS technique was preferred because of its high performances in discriminating cortical activation and superficial physiological changes. However, the proposed method is also applicable to continuous wave or frequency domain fNIRS data sets.

Linear regression models and k-means clustering for statistical analysis of fNIRS data

PubMed Central

Bonomini, Viola; Zucchelli, Lucia; Re, Rebecca; Ieva, Francesca; Spinelli, Lorenzo; Contini, Davide; Paganoni, Anna; Torricelli, Alessandro

2015-01-01

We propose a new algorithm, based on a linear regression model, to statistically estimate the hemodynamic activations in fNIRS data sets. The main concern guiding the algorithm development was the minimization of assumptions and approximations made on the data set for the application of statistical tests. Further, we propose a K-means method to cluster fNIRS data (i.e. channels) as activated or not activated. The methods were validated both on simulated and in vivo fNIRS data. A time domain (TD) fNIRS technique was preferred because of its high performances in discriminating cortical activation and superficial physiological changes. However, the proposed method is also applicable to continuous wave or frequency domain fNIRS data sets. PMID:25780751

Characterization of 2,3-diarylxanthones by electrospray mass spectrometry: gas-phase chemistry versus known antioxidant activity properties.

PubMed

Silva, Eduarda M P; Barros, Cristina M R F; Santos, Clementina M M; Barros, António S; Domingues, M Rosário M; Silva, Artur M S

2016-10-30

Xanthones (XH) are a class of heterocyclic compounds widely distributed in nature that hold numerous noteworthy biological and antioxidant activities. Therefore, it is of utmost importance to achieve relevant detailed structural information to understand and assist prediction of their biological properties. The potential relationship between radical-mediated xanthone chemistry in the gas phase and their promising antioxidant activities has not been previously explored. Protonated xanthones XH1-9 were generated in the gas phase by electrospray ionization (ESI) and the main fragmentation pathways of the protonated XH1-9 formed due to collision-induced dissociation (CID) were investigated. In the CID-MS/MS spectra of [M+H](+) ions of XH1, XH2 and XH4 the product ions formed due to H2 O elimination corresponding to the base peak of the spectra. For the remaining six xanthones (XH3, XH5-9), showing the most promising biological profile, the product ion produced with the highest relative abundance (RA) corresponded to the one formed through concomitant loss of H2 O plus CO. Indicative of an inexistent or lower biological activity is the combined loss of CO plus O unique to the CID-MS/MS spectra of XH1, XH2, XH4, and XH5. The product ion formed by loss of 64 Da (concomitant loss of two molecules of H2 O plus CO) is only observed for xanthones containing a catechol unit (XH3 and XH6-9). This product ion has the highest RA for the most potent scavenger of reactive oxygen and nitrogen species XH9 that contains two of these catechol moieties. A strong relationship between some of the biological activities of the studied 2,3-diarylxanthones and their ESI-MS/MS fragmentation spectra was found. The multivariate statistical analysis results suggest that the selected MS features are related to the important biological features. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Antifungal activities against toxigenic Fusarium specie and deoxynivalenol adsorption capacity of ion-exchanged zeolites.

PubMed

Savi, Geovana D; Cardoso, William A; Furtado, Bianca G; Bortolotto, Tiago; Zanoni, Elton T; Scussel, Rahisa; Rezende, Lucas F; Machado-de-Ávila, Ricardo A; Montedo, Oscar R K; Angioletto, Elidio

2018-03-04

Zeolites are often used as adsorbents materials and their loaded cations can be exchanged with metal ions in order to add antimicrobial properties. The aim of this study was to use the 4A zeolite and its derived ion-exchanged forms with Zn 2+ , Li + , Cu 2+ and Co 2+ in order to evaluate their antifungal properties against Fusarium graminearum, including their capacity in terms of metal ions release, conidia germination and the deoxynivalenol (DON) adsorption. The zeolites ion-exchanged with Li + , Cu 2+ , and Co 2+ showed an excellent antifungal activity against F. graminearum, using an agar diffusion method, with a zone of inhibition observed around the samples of 45.3 ± 0.6 mm, 25.7 ± 1.5 mm, and 24.7 ± 0.6 mm, respectively. Similar results using agar dilution method were found showing significant growth inhibition of F. graminearum for ion-exchanged zeolites with Zn 2+ , Li + , Cu 2+ , and Co 2+ . The fungi growth inhibition decreased as zeolite-Cu 2+ >zeolite-Li + >zeolite-Co 2+ >zeolite-Zn 2+ . In addition, the conidia germination was strongly affected by ion-exchanged zeolites. With regard to adsorption capacity, results indicate that only zeolite-Li + were capable of DON adsorption significantly (P < 0.001) with 37% at 2 mg mL -1 concentration. The antifungal effects of the ion-exchanged zeolites can be ascribed to the interactions of the metal ions released from the zeolite structure, especially for zeolite-Li + , which showed to be a promising agent against F. graminearum and its toxin.

Ion-selective electrodes in potentiometric titrations; a new method for processing and evaluating titration data.

PubMed

Granholm, Kim; Sokalski, Tomasz; Lewenstam, Andrzej; Ivaska, Ari

2015-08-12

A new method to convert the potential of an ion-selective electrode to concentration or activity in potentiometric titration is proposed. The advantage of this method is that the electrode standard potential and the slope of the calibration curve do not have to be known. Instead two activities on the titration curve have to be estimated e.g. the starting activity before the titration begins and the activity at the end of the titration in the presence of large excess of titrant. This new method is beneficial when the analyte is in a complexed matrix or in a harsh environment which affects the properties of the electrode and the traditional calibration procedure with standard solutions cannot be used. The new method was implemented both in a method of linearization based on the Grans's plot and in determination of the stability constant of a complex and the concentration of the complexing ligand in the sample. The new method gave accurate results when using titrations data from experiments with samples of known composition and with real industrial harsh black liquor sample. A complexometric titration model was also developed. Copyright © 2015 Elsevier B.V. All rights reserved.

Evaluation of the direct and diffusion methods for the determination of fluoride content in table salt

PubMed Central

Martínez-Mier, E. Angeles; Soto-Rojas, Armando E.; Buckley, Christine M.; Margineda, Jorge; Zero, Domenick T.

2010-01-01

Objective The aim of this study was to assess methods currently used for analyzing fluoridated salt in order to identify the most useful method for this type of analysis. Basic research design Seventy-five fluoridated salt samples were obtained. Samples were analyzed for fluoride content, with and without pretreatment, using direct and diffusion methods. Element analysis was also conducted in selected samples. Fluoride was added to ultra pure NaCl and non-fluoridated commercial salt samples and Ca and Mg were added to fluoride samples in order to assess fluoride recoveries using modifications to the methods. Results Larger amounts of fluoride were found and recovered using diffusion than direct methods (96%–100% for diffusion vs. 67%–90% for direct). Statistically significant differences were obtained between direct and diffusion methods using different ion strength adjusters. Pretreatment methods reduced the amount of recovered fluoride. Determination of fluoride content was influenced both by the presence of NaCl and other ions in the salt. Conclusion Direct and diffusion techniques for analysis of fluoridated salt are suitable methods for fluoride analysis. The choice of method should depend on the purpose of the analysis. PMID:20088217

Grid indentation analysis of mechanical properties of composite electrodes in Li-ion batteries

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

Vasconcelos, Luize Scalco de; Xu, Rong; Li, Jianlin

We report that electrodes in commercial rechargeable batteries are microscopically heterogeneous materials. The constituent components, including active materials, polymeric binders, and porous conductive matrix, often have large variation in their mechanical properties, making the mechanical characterization of composite electrodes a challenging task. In a model system of LiNi 0.5Mn 0.3Co 0.2O 2 cathode, we employ the instrumented grid indentation to determine the elastic modulus and hardness of the constituent phases. The approach relies on a large array of nanoindentation experiments and statistical analysis of the resulting data provided that the maximum indentation depth is carefully chosen. The statistically extracted propertiesmore » of the active particles and the surrounding medium are in good agreement with the tests of targeted indentation at selected sites. Lastly, the combinatory technique of grid indentation and statistical deconvolution represents a fast and reliable route to quantify the mechanical properties of composite electrodes that feed the parametric input for the mechanics models.« less

Grid indentation analysis of mechanical properties of composite electrodes in Li-ion batteries

DOE PAGES

Vasconcelos, Luize Scalco de; Xu, Rong; Li, Jianlin; ...

2016-03-09

We report that electrodes in commercial rechargeable batteries are microscopically heterogeneous materials. The constituent components, including active materials, polymeric binders, and porous conductive matrix, often have large variation in their mechanical properties, making the mechanical characterization of composite electrodes a challenging task. In a model system of LiNi 0.5Mn 0.3Co 0.2O 2 cathode, we employ the instrumented grid indentation to determine the elastic modulus and hardness of the constituent phases. The approach relies on a large array of nanoindentation experiments and statistical analysis of the resulting data provided that the maximum indentation depth is carefully chosen. The statistically extracted propertiesmore » of the active particles and the surrounding medium are in good agreement with the tests of targeted indentation at selected sites. Lastly, the combinatory technique of grid indentation and statistical deconvolution represents a fast and reliable route to quantify the mechanical properties of composite electrodes that feed the parametric input for the mechanics models.« less

Computational Methods of Studying the Binding of Toxins From Venomous Animals to Biological Ion Channels: Theory and Applications

PubMed Central

Chen, Rong; Chung, Shin-Ho

2013-01-01

The discovery of new drugs that selectively block or modulate ion channels has great potential to provide new treatments for a host of conditions. One promising avenue revolves around modifying or mimicking certain naturally occurring ion channel modulator toxins. This strategy appears to offer the prospect of designing drugs that are both potent and specific. The use of computational modeling is crucial to this endeavor, as it has the potential to provide lower cost alternatives for exploring the effects of new compounds on ion channels. In addition, computational modeling can provide structural information and theoretical understanding that is not easily derivable from experimental results. In this review, we look at the theory and computational methods that are applicable to the study of ion channel modulators. The first section provides an introduction to various theoretical concepts, including force-fields and the statistical mechanics of binding. We then look at various computational techniques available to the researcher, including molecular dynamics, Brownian dynamics, and molecular docking systems. The latter section of the review explores applications of these techniques, concentrating on pore blocker and gating modifier toxins of potassium and sodium channels. After first discussing the structural features of these channels, and their modes of block, we provide an in-depth review of past computational work that has been carried out. Finally, we discuss prospects for future developments in the field. PMID:23589832

Theory of atomic spectral emission intensity

NASA Astrophysics Data System (ADS)

Yngström, Sten

1994-07-01

The theoretical derivation of a new spectral line intensity formula for atomic radiative emission is presented. The theory is based on first principles of quantum physics, electrodynamics, and statistical physics. Quantum rules lead to revision of the conventional principle of local thermal equilibrium of matter and radiation. Study of electrodynamics suggests absence of spectral emission from fractions of the numbers of atoms and ions in a plasma due to radiative inhibition caused by electromagnetic force fields. Statistical probability methods are extended by the statement: A macroscopic physical system develops in the most probable of all conceivable ways consistent with the constraining conditions for the system. The crucial role of statistical physics in transforming quantum logic into common sense logic is stressed. The theory is strongly supported by experimental evidence.

Majority of Solar Wind Intervals Support Ion-Driven Instabilities

NASA Astrophysics Data System (ADS)

Klein, K. G.; Alterman, B. L.; Stevens, M. L.; Vech, D.; Kasper, J. C.

2018-05-01

We perform a statistical assessment of solar wind stability at 1 AU against ion sources of free energy using Nyquist's instability criterion. In contrast to typically employed threshold models which consider a single free-energy source, this method includes the effects of proton and He2 + temperature anisotropy with respect to the background magnetic field as well as relative drifts between the proton core, proton beam, and He2 + components on stability. Of 309 randomly selected spectra from the Wind spacecraft, 53.7% are unstable when the ion components are modeled as drifting bi-Maxwellians; only 4.5% of the spectra are unstable to long-wavelength instabilities. A majority of the instabilities occur for spectra where a proton beam is resolved. Nearly all observed instabilities have growth rates γ slower than instrumental and ion-kinetic-scale timescales. Unstable spectra are associated with relatively large He2 + drift speeds and/or a departure of the core proton temperature from isotropy; other parametric dependencies of unstable spectra are also identified.

Majority of Solar Wind Intervals Support Ion-Driven Instabilities.

PubMed

Klein, K G; Alterman, B L; Stevens, M L; Vech, D; Kasper, J C

2018-05-18

We perform a statistical assessment of solar wind stability at 1 AU against ion sources of free energy using Nyquist's instability criterion. In contrast to typically employed threshold models which consider a single free-energy source, this method includes the effects of proton and He^{2+} temperature anisotropy with respect to the background magnetic field as well as relative drifts between the proton core, proton beam, and He^{2+} components on stability. Of 309 randomly selected spectra from the Wind spacecraft, 53.7% are unstable when the ion components are modeled as drifting bi-Maxwellians; only 4.5% of the spectra are unstable to long-wavelength instabilities. A majority of the instabilities occur for spectra where a proton beam is resolved. Nearly all observed instabilities have growth rates γ slower than instrumental and ion-kinetic-scale timescales. Unstable spectra are associated with relatively large He^{2+} drift speeds and/or a departure of the core proton temperature from isotropy; other parametric dependencies of unstable spectra are also identified.

Particle acceleration in a complex solar active region modelled by a Cellular automata model

NASA Astrophysics Data System (ADS)

Dauphin, C.; Vilmer, N.; Anastasiadis, A.

2004-12-01

The models of cellular automat allowed to reproduce successfully several statistical properties of the solar flares. We use a cellular automat model based on the concept of self-organised critical system to model the evolution of the magnetic energy released in an eruptive active area. Each burst of magnetic energy released is assimilated to a process of magnetic reconnection. We will thus generate several current layers (RCS) where the particles are accelerated by a direct electric field. We calculate the energy gain of the particles (ions and electrons) for various types of magnetic configuration. We calculate the distribution function of the kinetic energy of the particles after their interactions with a given number of RCS for each type of configurations. We show that the relative efficiency of the acceleration of the electrons and the ions depends on the selected configuration.

Calculations with the quasirelativistic local-spin-density-functional theory for high-Z atoms

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

Guo, Y.; Whitehead, M.A.

1988-10-01

The generalized-exchange local-spin-density-functional theory (LSD-GX) with relativistic corrections of the mass velocity and Darwin terms has been used to calculate statistical total energies for the neutral atoms, the positive ions, and the negative ions for high-Z elements. The effect of the correlation and relaxation correction on the statistical total energy is discussed. Comparing the calculated results for the ionization potentials and electron affinities for the atoms (atomic number Z from 37 to 56 and 72 to 80) with experiment, shows that for the atoms rubidium to barium both the LSD-GX and the quasirelativistic LSD-GX, with self-interaction correction, Gopinathan, Whitehead, andmore » Bogdanovic's Fermi-hole parameters (Phys. Rev. A 14, 1 (1976)), and Vosko, Wilk, and Nusair's correlation correction (Can. J. Phys. 58, 1200 (1980)), are very good methods for calculating ionization potentials and electron affinities. For the atoms hafnium to mercury the relativistic effect has to be considered.« less

Correlating DMSP and NOAA Ion Precipitation Observations with Low Altitude ENA Emissions During the Declining Phase of Solar Cycle 23

NASA Astrophysics Data System (ADS)

Mackler, D. A.; Jahn, J. M.; Perez, J. D.; Pollock, C. J.

2014-12-01

Plasma sheet particles with sufficiently low mirror points will interact with thermospheric neutrals through charge exchange. The resulting ENAs are no longer magnetically bound and can therefore be detected by remote platforms outside the ionosphere/lower atmosphere. These ENAs closely associated with ion precipitation are termed Low Altitude Emissions (LAEs). They are non-isotropic in velocity space and mimic the corresponding ion pitch angle distribution. In this study we present a statistical correlation between remote observations of the LAE emission characteristics and ion precipitation maps determined in situ over the declining phase of solar cycle 23 (2000-2005). We discuss the strength and derived location (MLT, iMLAT) of LAEs as a function of geomagnetic activity levels in relation to the simultaneously measured strength, location, and spectral characteristics of in situ ion precipitation. These comparisons may allow us to use ENA images to assess where and how much energy is deposited during any type of enhanced geomagnetic activity. The precipitating ion differential directional flux maps are built up from combining NOAA-14/15/16 TED and DMSP-13/14/15 SSJ4 data. Low altitude ENA source locations are identified algorithmically using IMAGE/MENA images. ENA flux maps are derived by computing the LAE source locations assuming an ENA emission altitude (h) of 650 km, then projecting each image pixel onto a sphere with radius Re+h to determine the local time and latitude extent of the ENA source. The IGRF magnetic field model is used in combination with the Solar Magnetic coordinates of LAE pixels to compute the pitch angle of the escaping neutrals (previously ion before charge exchanging). Pitch angles larger than 90° will have a mirror point further into the atmosphere than the assumed emission altitude.

Final project report for NEET pulsed ion beam project

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

Kucheyev, S. O.

The major goal of this project was to develop and demonstrate a novel experimental approach to access the dynamic regime of radiation damage formation in nuclear materials. In particular, the project exploited a pulsed-ion-beam method in order to gain insight into defect interaction dynamics by measuring effective defect interaction time constants and defect diffusion lengths. This project had the following four major objectives: (i) the demonstration of the pulsed ion beam method for a prototypical nuclear ceramic material, SiC; (ii) the evaluation of the robustness of the pulsed beam method from studies of defect generation rate effects; (iii) the measurementmore » of the temperature dependence of defect dynamics and thermally activated defect-interaction processes by pulsed ion beam techniques; and (iv) the demonstration of alternative characterization techniques to study defect dynamics. As we describe below, all these objectives have been met.« less

Strategies for generating peptide radical cations via ion/ion reactions.

PubMed

Gilbert, Joshua D; Fisher, Christine M; Bu, Jiexun; Prentice, Boone M; Redwine, James G; McLuckey, Scott A

2015-02-01

Several approaches for the generation of peptide radical cations using ion/ion reactions coupled with either collision induced dissociation (CID) or ultraviolet photo dissociation (UVPD) are described here. Ion/ion reactions are used to generate electrostatic or covalent complexes comprised of a peptide and a radical reagent. The radical site of the reagent can be generated multiple ways. Reagents containing a carbon-iodine (C-I) bond are subjected to UVPD with 266-nm photons, which selectively cleaves the C-I bond homolytically. Alternatively, reagents containing azo functionalities are collisionally activated to yield radical sites on either side of the azo group. Both of these methods generate an initial radical site on the reagent, which then abstracts a hydrogen from the peptide while the peptide and reagent are held together by either electrostatic interactions or a covalent linkage. These methods are demonstrated via ion/ion reactions between the model peptide RARARAA (doubly protonated) and various distonic anionic radical reagents. The radical site abstracts a hydrogen atom from the peptide, while the charge site abstracts a proton. The net result is the conversion of a doubly protonated peptide to a peptide radical cation. The peptide radical cations have been fragmented via CID and the resulting product ion mass spectra are compared to the control CID spectrum of the singly protonated, even-electron species. This work is then extended to bradykinin, a more broadly studied peptide, for comparison with other radical peptide generation methods. The work presented here provides novel methods for generating peptide radical cations in the gas phase through ion/ion reaction complexes that do not require modification of the peptide in solution or generation of non-covalent complexes in the electrospray process. Copyright © 2015 John Wiley & Sons, Ltd.

Visible-light activate Ag/WO3 films based on wood with enhanced negative oxygen ions production properties

NASA Astrophysics Data System (ADS)

Gao, Likun; Gan, Wentao; Cao, Guoliang; Zhan, Xianxu; Qiang, Tiangang; Li, Jian

2017-12-01

The Ag/WO3-wood was fabricated through a hydrothermal method and a silver mirror reaction. The system of visible-light activate Ag/WO3-wood was used to produce negative oxygen ions, and the effect of Ag nanoparticles on negative oxygen ions production was investigated. From the results of negative oxygen ions production tests, it can be observed that the sample doped with Ag nanoparticles, the concentration of negative oxygen ions is up to 1660 ions/cm3 after 60 min visible light irradiation. Moreover, for the Ag/WO3-wood, even after 60 min without irradiation, the concentration of negative oxygen ions could keep more than 1000 ions/cm3, which is up to the standard of the fresh air. Moreover, due to the porous structure of wood, the wood acted as substrate could promote the nucleation of nanoparticles, prevent the agglomeration of the particles, and thus lead the improvement of photocatalytic properties. And such wood-based functional materials with the property of negative oxygen ions production could be one of the most promising materials in the application of indoor decoration materials, which would meet people's pursuit of healthy, environment-friendly life.

Use of ion conductors in the pyrochemical reduction of oxides

DOEpatents

Miller, William E.; Tomczuk, Zygmunt

1994-01-01

An electrochemical process and electrochemical cell for reducing a metal oxide are provided. First the oxide is separated as oxygen gas using, for example, a ZrO.sub.2 oxygen ion conductor anode and the metal ions from the reduction salt are reduced and deposited on an ion conductor cathode, for example, sodium ion reduced on a .beta.-alumina sodium ion conductor cathode. The generation of and separation of oxygen gas avoids the problem with chemical back reaction of oxygen with active metals in the cell. The method also is characterized by a sequence of two steps where an inert cathode electrode is inserted into the electrochemical cell in the second step and the metallic component in the ion conductor is then used as the anode to cause electrochemical reduction of the metal ions formed in the first step from the metal oxide where oxygen gas formed at the anode. The use of ion conductors serves to isolate the active components from chemically reacting with certain chemicals in the cell. While applicable to a variety of metal oxides, the invention has special importance for reducing CaO to Ca.degree. used for reducing UO.sub.2 and PuO.sub.2 to U and Pu.

Cation–Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting

PubMed Central

Gebala, Magdalena; Giambasu, George M.; Lipfert, Jan; Bisaria, Namita; Bonilla, Steve; Li, Guangchao; York, Darrin M.; Herschlag, Daniel

2016-01-01

The ion atmosphere is a critical structural, dynamic, and energetic component of nucleic acids that profoundly affects their interactions with proteins and ligands. Experimental methods that “count” the number of ions thermodynamically associated with the ion atmosphere allow dissection of energetic properties of the ion atmosphere, and thus provide direct comparison to theoretical results. Previous experiments have focused primarily on the cations that are attracted to nucleic acid polyanions, but have also showed that anions are excluded from the ion atmosphere. Herein, we have systematically explored the properties of anion exclusion, testing the zeroth-order model that anions of different identity are equally excluded due to electrostatic repulsion. Using a series of monovalent salts, we find, surprisingly, that the extent of anion exclusion and cation inclusion significantly depends on salt identity. The differences are prominent at higher concentrations and mirror trends in mean activity coefficients of the electrolyte solutions. Salts with lower activity coefficients exhibit greater accumulation of both cations and anions within the ion atmosphere, strongly suggesting that cation–anion correlation effects are present in the ion atmosphere and need to be accounted for to understand electrostatic interactions of nucleic acids. To test whether the effects of cation–anion correlations extend to nucleic acid kinetics and thermodynamics, we followed the folding of P4–P6, a domain of the Tetrahymena group I ribozyme, via single-molecule fluorescence resonance energy transfer in solutions with different salts. Solutions of identical concentration but lower activity gave slower and less favorable folding. Our results reveal hitherto unknown properties of the ion atmosphere and suggest possible roles of oriented ion pairs or anion-bridged cations in the ion atmosphere for electrolyte solutions of salts with reduced activity. Consideration of these new results leads to a reevaluation of the strengths and limitations of Poisson–Boltzmann theory and highlights the need for next-generation atomic-level models of the ion atmosphere. PMID:26517731

The laser-diode-excited 5 d-4 f luminescence of Ce3+ and Pr3+ ions embedded into a BaR2F8 matrix

NASA Astrophysics Data System (ADS)

Pushkar', A. A.; Uvarova, T. V.; Kozlova, N. S.; Kuznetsov, S. Yu.; Uvarova, A. G.

2013-06-01

We show the possibility of obtaining UV luminescence from 5 d-4 f transitions of rare-earth ions in the BaY2F8: (Yb3+, Pr3+, Ce3+) crystal under upconversion excitation by standard laser diodes with lasing wavelengths of 960, 808, and 840 nm. Various upconversion mechanisms of pumping for populating the higher-lying energy levels of the active ions, as well as methods of adaptation of the active medium BaY2F8: (Yb3+, Pr3+, Ce3+) to these mechanisms, are considered.

Organic electrochemical transistor array for recording transepithelial ion transport of human airway epithelial cells.

PubMed

Yao, Chunlei; Xie, Changyan; Lin, Peng; Yan, Feng; Huang, Pingbo; Hsing, I-Ming

2013-12-03

An organic electrochemical transistor array is integrated with human airway epithelial cells. This integration provides a novel method to couple transepithelial ion transport with electrical current. Activation and inhibition of transepithelial ion transport are readily detected with excellent time resolution. The organic electrochemical transistor array serves as a promising platform for physiological studies and drug testing. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An ion exchange strategy to BiOI/CH3COO(BiO) heterojunction with enhanced visible-light photocatalytic activity

NASA Astrophysics Data System (ADS)

Han, Qiaofeng; Yang, Zhen; Wang, Li; Shen, Zichen; Wang, Xin; Zhu, Junwu; Jiang, Xiaohong

2017-05-01

It is very significant to develop CH3COO(BiO) (denoted as BiOAc) based photocatalysts for the removal of pollutants due to its non-toxicity and availability. We previously reported that BiOAc exhibited excellent photocatalytic activity for rhodamine B (RhB) degradation under UV light irradiation. Herein, by an ion exchange approach, BiOI/BiOAc heterojunction could be easily obtained. The as-prepared heterojunction possessed enhanced photodegradation activity for multiple dyes including RhB and methyl orange (MO) under visible light illumination in comparison with individual materials. Good visible-light photocatalytic activity of the heterojunction could be attributed to the increased visible light response, effective charge transfer from the modified band position and close interfacial contact due to partial ion exchange method.

Analysis and Modeling of Boundary Layer Separation Method (BLSM).

PubMed

Pethő, Dóra; Horváth, Géza; Liszi, János; Tóth, Imre; Paor, Dávid

2010-09-01

Nowadays rules of environmental protection strictly regulate pollution material emission into environment. To keep the environmental protection laws recycling is one of the useful methods of waste material treatment. We have developed a new method for the treatment of industrial waste water and named it boundary layer separation method (BLSM). We apply the phenomena that ions can be enriched in the boundary layer of the electrically charged electrode surface compared to the bulk liquid phase. The main point of the method is that the boundary layer at correctly chosen movement velocity can be taken out of the waste water without being damaged, and the ion-enriched boundary layer can be recycled. Electrosorption is a surface phenomenon. It can be used with high efficiency in case of large electrochemically active surface of electrodes. During our research work two high surface area nickel electrodes have been prepared. The value of electrochemically active surface area of electrodes has been estimated. The existence of diffusion part of the double layer has been experimentally approved. The electrical double layer capacity has been determined. Ion transport by boundary layer separation has been introduced. Finally we have tried to estimate the relative significance of physical adsorption and electrosorption.

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

DOE PAGES

Rankovic, Milos Lj.; Giuliani, Alexandre; Milosavljevic, Aleksandar R.

2016-02-11

In this study, we have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS 2) and allows performing action spectroscopy. Electron impact MS 2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1s excitation. Both MS 2 and singlemore » ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.« less

Electron impact action spectroscopy of mass/charge selected macromolecular ions: Inner-shell excitation of ubiquitin protein

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

Rankovic, Milos Lj.; Giuliani, Alexandre; Milosavljevic, Aleksandar R.

In this study, we have performed inner-shell electron impact action spectroscopy of mass and charge selected macromolecular ions. For this purpose, we have coupled a focusing electron gun with a linear quadrupole ion trap mass spectrometer. This experiment represents a proof of principle that an energy-tunable electron beam can be used in combination with radio frequency traps as an activation method in tandem mass spectrometry (MS 2) and allows performing action spectroscopy. Electron impact MS 2 spectra of multiply protonated ubiquitin protein ion have been recorded at incident electron energies around the carbon 1s excitation. Both MS 2 and singlemore » ionization energy dependence spectra are compared with literature data obtained using the soft X-ray activation conditions.« less

Engineering electrocatalytic activity in nanosized perovskite cobaltite through surface spin-state transition

PubMed Central

Zhou, Shiming; Miao, Xianbing; Zhao, Xu; Ma, Chao; Qiu, Yuhao; Hu, Zhenpeng; Zhao, Jiyin; Shi, Lei; Zeng, Jie

2016-01-01

The activity of electrocatalysts exhibits a strongly dependence on their electronic structures. Specifically, for perovskite oxides, Shao-Horn and co-workers have reported a correlation between the oxygen evolution reaction activity and the eg orbital occupation of transition-metal ions, which provides guidelines for the design of highly active catalysts. Here we demonstrate a facile method to engineer the eg filling of perovskite cobaltite LaCoO3 for improving the oxygen evolution reaction activity. By reducing the particle size to ∼80 nm, the eg filling of cobalt ions is successfully increased from unity to near the optimal configuration of 1.2 expected by Shao-Horn's principle. Consequently, the activity is significantly enhanced, comparable to those of recently reported cobalt oxides with eg∼1.2 configurations. This enhancement is ascribed to the emergence of spin-state transition from low-spin to high-spin states for cobalt ions at the surface of the nanoparticles, leading to more active sites with increased reactivity. PMID:27187067

A Rigorous Statistical Approach to Determine Solar Wind Composition from ACE/SWICS Data, and New Ne/O Ratios

NASA Astrophysics Data System (ADS)

Shearer, P.; Jawed, M. K.; Raines, J. M.; Lepri, S. T.; Gilbert, J. A.; von Steiger, R.; Zurbuchen, T.

2013-12-01

The SWICS instruments aboard ACE and Ulysses have performed in situ measurements of individual solar wind ions for a period spanning over two decades. Solar wind composition is determined by accumulating the measurements into an ion count histogram in which each species appears as a distinct peak. Assigning counts to the appropriate species is a challenging statistical problem because of the limited counts for some species and overlap between some peaks. We show that the most commonly used count assignment methods can suffer from significant bias when a highly abundant species overlaps with a much less abundant one. For ACE/SWICS data, this bias results in an overestimated Ne/O ratio. Bias is greatly reduced by switching to a rigorous maximum likelihood count assignment method, resulting in a 30-50% reduction in the estimated Ne abundance. We will discuss the new Ne/O values and put them in context with the solar system abundances for Ne derived from other techniques, such as in situ collection from Genesis and its heritage instrument, the Solar Foil experiment during the Apollo era. The new count assignment method is currently being applied to reanalyze the archived ACE and Ulysses data and obtain revised abundances of C, N, O, Ne, Mg, Si, S, and Fe, leading to revised datasets that will be made publicly available.

Redox active polymer devices and methods of using and manufacturing the same

DOEpatents

Johnson, Paul; Bautista-Martinez, Jose Antonio; Friesen, Cody; Switzer, Elise

2018-06-05

The disclosed technology relates generally to apparatus comprising conductive polymers and more particularly to tag and tag devices comprising a redox-active polymer film, and method of using and manufacturing the same. In one aspect, an apparatus includes a substrate and a conductive structure formed on the substrate which includes a layer of redox-active polymer film having mobile ions and electrons. The conductive structure further includes a first terminal and a second terminal configured to receive an electrical signal therebetween, where the layer of redox-active polymer is configured to conduct an electrical current generated by the mobile ions and the electrons in response to the electrical signal. The apparatus additionally includes a detection circuit operatively coupled to the conductive structure and configured to detect the electrical current flowing through the conductive structure.

Adsorbent for metal ions and method of making and using

DOEpatents

White, Lloyd R.; Lundquist, Susan H.

1999-01-01

A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions.

Adsorbent for metal ions and method of making and using

DOEpatents

White, L.R.; Lundquist, S.H.

1999-08-10

A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions. 2 figs.

Adsorbent for metal ions and method of making and using

DOEpatents

White, Lloyd R.; Lundquist, Susan H.

2000-01-01

A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions.

Niobate-based octahedral molecular sieves

DOEpatents

Nenoff, Tina M.; Nyman, May D.

2006-10-17

Niobate-based octahedral molecular sieves having significant activity for multivalent cations and a method for synthesizing such sieves are disclosed. The sieves have a net negatively charged octahedral framework, comprising niobium, oxygen, and octahedrally coordinated lower valence transition metals. The framework can be charge balanced by the occluded alkali cation from the synthesis method. The alkali cation can be exchanged for other contaminant metal ions. The ion-exchanged niobate-based octahedral molecular sieve can be backexchanged in acidic solutions to yield a solution concentrated in the contaminant metal. Alternatively, the ion-exchanged niobate-based octahedral molecular sieve can be thermally converted to a durable perovskite phase waste form.

Niobate-based octahedral molecular sieves

DOEpatents

Nenoff, Tina M.; Nyman, May D.

2003-07-22

Niobate-based octahedral molecular sieves having significant activity for multivalent cations and a method for synthesizing such sieves are disclosed. The sieves have a net negatively charged octahedral framework, comprising niobium, oxygen, and octahedrally coordinated lower valence transition metals. The framework can be charge balanced by the occluded alkali cation from the synthesis method. The alkali cation can be exchanged for other contaminant metal ions. The ion-exchanged niobate-based octahedral molecular sieve can be backexchanged in acidic solutions to yield a solution concentrated in the contaminant metal. Alternatively, the ion-exchanged niobate-based octahedral molecular sieve can be thermally converted to a durable perovskite phase waste form.

An in-beam PET system for monitoring ion-beam therapy: test on phantoms using clinical 62 MeV protons

NASA Astrophysics Data System (ADS)

Camarlinghi, N.; Sportelli, G.; Battistoni, G.; Belcari, N.; Cecchetti, M.; Cirrone, G. A. P.; Cuttone, G.; Ferretti, S.; Kraan, A.; Retico, A.; Romano, F.; Sala, P.; Straub, K.; Tramontana, A.; Del Guerra, A.; Rosso, V.

2014-04-01

Ion therapy allows the delivery of highly conformal dose taking advantage of the sharp depth-dose distribution at the Bragg-peak. However, patient positioning errors and anatomical uncertainties can cause dose distortions. To exploit the full potential of ion therapy, an accurate monitoring system of the ion range is needed. Among the proposed methods to monitor the ion range, Positron Emission Tomography (PET) has proven to be the most mature technique, allowing to reconstruct the β+ activity generated in the patient by the nuclear interaction of the ions, that can be acquired during or after the treatment. Taking advantages of the spatial correlation between positron emitters created along the ions path and the dose distribution, it is possible to reconstruct the ion range. Due to the high single rates generated during the beam extraction, the acquisition of the β+ activity is typically performed after the irradiation (cyclotron) or in between the synchrotron spills. Indeed the single photon rate can be one or more orders of magnitude higher than normal for cyclotron. Therefore, acquiring the activity during the beam irradiation requires a detector with a very short dead time. In this work, the DoPET detector, capable of sustaining the high event rate generated during the cyclotron irradiation, is presented. The capability of the system to acquire data during and after the irradiation will be demonstrated by showing the reconstructed activity for different PMMA irradiations performed using clinical dose rates and the 62 MeV proton beam at the CATANA-LNS-INFN. The reconstructed activity widths will be compared with the results obtained by simulating the proton beam interaction with the FLUKA Monte Carlo. The presented data are in good agreement with the FLUKA Monte Carlo.

Extractive-spectrophotometric determination of disopyramide and irbesartan in their pharmaceutical formulation

NASA Astrophysics Data System (ADS)

Abdellatef, Hisham E.

2007-04-01

Picric acid, bromocresol green, bromothymol blue, cobalt thiocyanate and molybdenum(V) thiocyanate have been tested as spectrophotometric reagents for the determination of disopyramide and irbesartan. Reaction conditions have been optimized to obtain coloured comoplexes of higher sensitivity and longer stability. The absorbance of ion-pair complexes formed were found to increases linearity with increases in concentrations of disopyramide and irbesartan which were corroborated by correction coefficient values. The developed methods have been successfully applied for the determination of disopyramide and irbesartan in bulk drugs and pharmaceutical formulations. The common excipients and additives did not interfere in their determination. The results obtained by the proposed methods have been statistically compared by means of student t-test and by the variance ratio F-test. The validity was assessed by applying the standard addition technique. The results were compared statistically with the official or reference methods showing a good agreement with high precision and accuracy.

Determination of fluoride in oxides with the fluoride-ion activity electrode.

PubMed

Peters, M A; Ladd, D M

1971-07-01

The application of the fluoride-ion activity electrode to the determination of fluoride in various samples has been studied. Samples are decomposed by fusion and the fluoride concentration is determined by a standard-addition or a direct method. The standard-addition method is unsuitable, owing to a positive bias. The direct method, however, is rapid, accurate and precise. The fluoride content of exploration ores, fluorspar, opal glass, phosphate rock and various production samples, has been successfully determined. The success of the direct method depends on the effectiveness of the system used to buffer pH and ionic strength and complex possible interferences (Al(3+), Ca(2+), Fe(3+)). The effect of interferences has been studied and found to be minimal. The procedures are rapid and accurate and may be substituted for the traditional Willard and Winter or pyro hydrolysis methods, with considerable saving of time.

The Structural Basis of IKs Ion-Channel Activation: Mechanistic Insights from Molecular Simulations.

PubMed

Ramasubramanian, Smiruthi; Rudy, Yoram

2018-06-05

Relating ion channel (iCh) structural dynamics to physiological function remains a challenge. Current experimental and computational techniques have limited ability to explore this relationship in atomistic detail over physiological timescales. A framework associating iCh structure to function is necessary for elucidating normal and disease mechanisms. We formulated a modeling schema that overcomes the limitations of current methods through applications of artificial intelligence machine learning. Using this approach, we studied molecular processes that underlie human IKs voltage-mediated gating. IKs malfunction underlies many debilitating and life-threatening diseases. Molecular components of IKs that underlie its electrophysiological function include KCNQ1 (a pore-forming tetramer) and KCNE1 (an auxiliary subunit). Simulations, using the IKs structure-function model, reproduced experimentally recorded saturation of gating-charge displacement at positive membrane voltages, two-step voltage sensor (VS) movement shown by fluorescence, iCh gating statistics, and current-voltage relationship. Mechanistic insights include the following: 1) pore energy profile determines iCh subconductance; 2) the entire protein structure, not limited to the pore, contributes to pore energy and channel subconductance; 3) interactions with KCNE1 result in two distinct VS movements, causing gating-charge saturation at positive membrane voltages and current activation delay; and 4) flexible coupling between VS and pore permits pore opening at lower VS positions, resulting in sequential gating. The new modeling approach is applicable to atomistic scale studies of other proteins on timescales of physiological function. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

1-(2-Formamidoethyl)-3-phenylurea functionalized activated carbon for selective solid-phase extraction and preconcentration of metal ions.

PubMed

Tu, Zhifeng; He, Qun; Chang, Xijun; Hu, Zheng; Gao, Ru; Zhang, Lina; Li, Zhenhua

2009-09-07

A novel method that utilizes 1-(2-formamidoethyl)-3-phenylurea-modified activated carbon (AC-1-(2-formamidoethyl)-3-phenylurea) as a solid-phase extractant has been developed for simultaneous preconcentration of trace Cr(III), Cu(II), Fe(III) and Pb(II) prior to the measurement by inductively coupled plasma atomic emission spectrometry (ICP-AES). Experimental conditions for effective adsorption of trace levels of Cr(III), Cu(II), Fe(III) and Pb(II) were optimized using batch and column procedures in detail. The optimum pH value for the separation of metal ions simultaneously on the new sorbent was 4. And the adsorbed metal ions could be completely eluted by using 2.0 mL 2.0 mol L(-1) HCl solution. Common coexisting ions did not interfere with the separation and determination of target metal ions. The maximum static adsorption capacity of the sorbent at optimum conditions was found to be 39.8, 39.9, 77.8 and 17.3 mg g(-1) for Cr(III), Cu(II), Fe(III) and Pb(II), respectively. The detection limits of the method were found to be 0.15, 0.41, 0.27 and 0.36 ng mL(-1) for Cr(III), Cu(II), Fe(III) and Pb(II), respectively. The relative standard deviation (RSD) of the method was lower than 4.0% (n=8). The method was successfully applied for the preconcentration of trace Cr(III), Cu(II), Fe(III) and Pb(II) in natural and certified samples with satisfactory results.

Benchmark of multi-phase method for the computation of fast ion distributions in a tokamak plasma in the presence of low-amplitude resonant MHD activity

NASA Astrophysics Data System (ADS)

Bierwage, A.; Todo, Y.

2017-11-01

The transport of fast ions in a beam-driven JT-60U tokamak plasma subject to resonant magnetohydrodynamic (MHD) mode activity is simulated using the so-called multi-phase method, where 4 ms intervals of classical Monte-Carlo simulations (without MHD) are interlaced with 1 ms intervals of hybrid simulations (with MHD). The multi-phase simulation results are compared to results obtained with continuous hybrid simulations, which were recently validated against experimental data (Bierwage et al., 2017). It is shown that the multi-phase method, in spite of causing significant overshoots in the MHD fluctuation amplitudes, accurately reproduces the frequencies and positions of the dominant resonant modes, as well as the spatial profile and velocity distribution of the fast ions, while consuming only a fraction of the computation time required by the continuous hybrid simulation. The present paper is limited to low-amplitude fluctuations consisting of a few long-wavelength modes that interact only weakly with each other. The success of this benchmark study paves the way for applying the multi-phase method to the simulation of Abrupt Large-amplitude Events (ALE), which were seen in the same JT-60U experiments but at larger time intervals. Possible implications for the construction of reduced models for fast ion transport are discussed.

Enhanced characterization of singly protonated phosphopeptide ions by femtosecond laser-induced ionization/dissociation tandem mass spectrometry (fs-LID-MS/MS).

PubMed

Smith, Scott A; Kalcic, Christine L; Safran, Kyle A; Stemmer, Paul M; Dantus, Marcos; Reid, Gavin E

2010-12-01

To develop an improved understanding of the regulatory role that post-translational modifications (PTMs) involving phosphorylation play in the maintenance of normal cellular function, tandem mass spectrometry (MS/MS) strategies coupled with ion activation techniques such as collision-induced dissociation (CID) and electron-transfer dissociation (ETD) are typically employed to identify the presence and site-specific locations of the phosphate moieties within a given phosphoprotein of interest. However, the ability of these techniques to obtain sufficient structural information for unambiguous phosphopeptide identification and characterization is highly dependent on the ion activation method employed and the properties of the precursor ion that is subjected to dissociation. Herein, we describe the application of a recently developed alternative ion activation technique for phosphopeptide analysis, termed femtosecond laser-induced ionization/dissociation (fs-LID). In contrast to CID and ETD, fs-LID is shown to be particularly suited to the analysis of singly protonated phosphopeptide ions, yielding a wide range of product ions including a, b, c, x, y, and z sequence ions, as well as ions that are potentially diagnostic of the positions of phosphorylation (e.g., 'a(n)+1-98'). Importantly, the lack of phosphate moiety losses or phosphate group 'scrambling' provides unambiguous information for sequence identification and phosphorylation site characterization. Therefore, fs-LID-MS/MS can serve as a complementary technique to established methodologies for phosphoproteomic analysis. Copyright © 2010. Published by Elsevier Inc.

The role of calcium ions in cytological effects of hypogravity

NASA Astrophysics Data System (ADS)

Kordyum, E. L.; Belyavskaya, N. A.; Nedukha, E. M.; Palladina, T. A.; Tarasenko, V. A.

Electron-cytochemical and biochemical methods made it possible to reveal certain differences in ATPase activity stimulation by calcium ions in root apex cells of pea seedlings and moss protonema Funaria hygrometrica grown under stationary and slow clinostatic (2 rev/min) conditions. It was showed that under clinostatic conditions in comparison with the control variant the ATPase activity decreases in plasmalemma. The protein content in the plasmalemma fraction was also twice as low under these conditions. The root apex cells of the pea seedlings grown under spaceflight conditions were found to contain high concentrations of membrane-bound calcium. The data obtained are discussed in relation to problems of possible mechanisms of disturbance in calcium balance and the system of active calcium ion transport through plasmalemma under hypogravity.

Three-dimensional structure of porcine pancreatic carboxypeptidase B with an acetate ion and two zinc atoms in the active site

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

Akparov, V. Kh., E-mail: valery@akparov.ru; Timofeev, V. I., E-mail: tostars@mail.ru; Maghsoudi, N. N., E-mail: maghsudi@yahoo.com

2017-03-15

Crystals of porcine pancreatic carboxypeptidase B (CPB) were grown by the capillary counter-diffusion method in the presence of polyethylene glycol and zinc acetate. The three-dimensional structure of CPB was determined at 1.40 Å resolution using the X-ray diffraction data set collected from the crystals of the enzyme at the SPring 8 synchrotron facility and was refined to R{sub fact} = 17.19%, R{sub free} = 19.78%. The structure contains five zinc atoms, two of which are present in the active site of the enzyme, and an acetate ion. The arrangement of an additional zinc atom in the active site and themore » acetate ion is different from that reported by Yoshimoto et al.« less

Comparison of three sampling and analytical methods for the determination of airborne hexavalent chromium.

PubMed

Boiano, J M; Wallace, M E; Sieber, W K; Groff, J H; Wang, J; Ashley, K

2000-08-01

A field study was conducted with the goal of comparing the performance of three recently developed or modified sampling and analytical methods for the determination of airborne hexavalent chromium (Cr(VI)). The study was carried out in a hard chrome electroplating facility and in a jet engine manufacturing facility where airborne Cr(VI) was expected to be present. The analytical methods evaluated included two laboratory-based procedures (OSHA Method ID-215 and NIOSH Method 7605) and a field-portable method (NIOSH Method 7703). These three methods employ an identical sampling methodology: collection of Cr(VI)-containing aerosol on a polyvinyl chloride (PVC) filter housed in a sampling cassette, which is connected to a personal sampling pump calibrated at an appropriate flow rate. The basis of the analytical methods for all three methods involves extraction of the PVC filter in alkaline buffer solution, chemical isolation of the Cr(VI) ion, complexation of the Cr(VI) ion with 1,5-diphenylcarbazide, and spectrometric measurement of the violet chromium diphenylcarbazone complex at 540 nm. However, there are notable specific differences within the sample preparation procedures used in three methods. To assess the comparability of the three measurement protocols, a total of 20 side-by-side air samples were collected, equally divided between a chromic acid electroplating operation and a spray paint operation where water soluble forms of Cr(VI) were used. A range of Cr(VI) concentrations from 0.6 to 960 microg m(-3), with Cr(VI) mass loadings ranging from 0.4 to 32 microg, was measured at the two operations. The equivalence of the means of the log-transformed Cr(VI) concentrations obtained from the different analytical methods was compared. Based on analysis of variance (ANOVA) results, no statistically significant differences were observed between mean values measured using each of the three methods. Small but statistically significant differences were observed between results obtained from performance evaluation samples for the NIOSH field method and the OSHA laboratory method.

Pharmacokinetics of Maxing Shigan decoction in normal rats and RSV pneumonia model rats by HPLC-MS/MS.

PubMed

Jiang, Li; Gao, Meng; Qu, Fei; Li, Hui-lan; Yu, Lan-bin; Rao, Yi; Wang, Yue-sheng; Xu, Guo-liang

2015-07-01

To establish a LC-MS/MS method to determine the concentrations of liquiritin, glycyrrhizin, glycyrrhetinic acid, amygdalin, amygdalin prunasin, ephedrine, pseudoephedrine and methylephedrine of Maxing Shigan decoction in rat plasma, and study the differences on their pharmacokinetic process in normal rats and RSV pneumonia model rats. After normal rats and RSV pneumonia model rats were orally administered with Maxing Shigan decoction, the blood was collected from retinal vein plexus of different time points. Specifically, tetrahydropalmatine was taken as internal standard for determining ephedrine, while chloramphenicol was taken as internal standard for determining other components. After plasma samples were pre-treated as the above, the supernatant was dried with nitrogen blowing concentrator and then redissolved with methylalcohol. The chromatography was eluted with mobile phase consisted of acetonitrile and 0.1% formic acid solution in a gradient manner. ESI sources were adopted to scan ingredients in ephedra in a positive ion scanning mode and other ingredientsin a negative ion scanning mode. The multiple-reaction monitoring (MRM) method was developed the plasma concentration of each active component. The pharmacokinetic parameters of each group were calculated by using Win-Nonlin 4.1 software and put into the statistical analysis. The result showed the plasma concentration of the eight active ingredients, i.e., liquiritin, glycyrrhizin, glycyrrhetinic acid, amygdalin, amygdalin prunasin, ephedrine, pseudoephedrine and methylephedrine within the ranges of 1.04-1040, 1.04-1040, 0.89-445, 1.05-4200, 1.25-2490, 0.3-480, 0.3-480, 0.3-480 microg x L(-1), with a good linearity and satisfactory precision, recovery and stability in the above ingredients. After modeling, except for glycyrrhetinic acid whose pharmacokinetic parameters were lacked due to the data missing, all of the rest components showed significant higher Cmax, AUC(0-1) and lower clearance rate (CL) than that of the normal group, indicating the increase in absorption in rats in the pathological state by reducing the clearance rate. The method is accurate and sensitive and so can be used to determine the plasma concentrations of the eight active ingredients in Maxing Shigan decoction. RSV pneumonia-infected rats absorbed more ingredients in Maxing Shigan decoction.

Thin layer activation-based evaluation of tribological behaviour of light ion-implanted metallic samples

NASA Astrophysics Data System (ADS)

Racolta, P. M.; Popa-Simil, L.; Alexandreanu, B.; Mateescu, L.

1997-05-01

In our Cyclotron Laboratory wear and/or corrosion studies of metallic machine parts are performed on a routine basis by using the Charged Particle Surface Activation method, also commonly known as the Thin Layer Activation (TLA) technique. In principle, this method consists of an ion beam irradiation of the surface of interest (typically using proton and deuteron beams), followed by in-situ radioactivity monitoring, on a testing bench or in normal running conditions. The observed changes in radioactivity are then transformed in mass losses, by using a specific calibration procedure. In spite of the high reliability of the method, which allows fast and accurate determinations under real operating conditions, the issue of possible influence of ion bombardment upon the tribologic properties of irradiated components had yet to be clarified. To do that, a dedicated set-up was designed so as to ensure a simultaneous irradiation of the disk-shaped samples at various incident beam energies and doses. Since the expected structural modifications were associated not only to ion-induced damages, but also to the local heating, we tried to outline the contribution of each of the two above-mentioned effects. Consequently, the microstructure effects have been investigated by both electronic and metallography microscopy. The Vickers micro-hardness test has been taken before and after irradiation of each sample. Two main outcomes can be reported: the use of radioactive labelling for wear and corrosion control using MeV beams with doses below 10 17 ions/cm 2 of light particles such as protons and deuterons does not lead to significant changes of the tribologic properties of the studied machine part; and besides, wear diagrams (wear levels vs. running time) for Carbon Steel Alloy (OL-45 in Romanian standard, 0.45% carbon) and {Cu63}/{Zn37} brass irradiated at different doses (10 17 - 10 18 ions/cm 2) have been obtained.

Automatic environmental disinfection with hydrogen peroxide and silver ions versus manual environmental disinfection with sodium hypochlorite: a multicentre randomized before-and-after trial.

PubMed

Mosci, D; Marmo, G W; Sciolino, L; Zaccaro, C; Antonellini, R; Accogli, L; Lazzarotto, T; Mongardi, M; Landini, M P

2017-10-01

New technologies for automated disinfection have been developed, including the use of hydrogen peroxide atomized by specific equipment, with associated silver compounds. To compare the effectiveness of an automated disinfection system with hydrogen peroxide <8% and silver ion versus a manual method with 0.5% sodium hypochlorite solution when evaluating the reduction of microbial mesophilic contamination and Clostridium difficile presence; and to evaluate the time required for both of these processes. This was a randomized multicentre trial performed in different hospital wards that had been occupied previously by patients with Clostridium difficile infection. When patients were discharged their rooms were randomized to one of two decontamination arms. The surfaces where sampled using swabs, before and after disinfection. Swab samples were cultured for quantitative detection of microbial mesophilic contamination and qualitative detection of C. difficile. Before disinfection, 13% of surfaces decontaminated with hydrogen peroxide and silver ions and 20% of surfaces decontaminated with sodium hypochlorite showed presence of C. difficile spores. After disinfection, the samples containing C. difficile were 0% (P < 0.001) in the group decontaminated with hydrogen peroxide and silver ions, and were 3% (P < 0.001) in the group decontaminated with sodium hypochlorite. This difference was not statistically significant; nor was the difference in the reduction of the microbial mesophilic contamination. The differences between the groups were not statistically significant; however, the disinfection with hydrogen peroxide and silver ions is preferable due to less dependence on operators. Copyright © 2017 The Healthcare Infection Society. Published by Elsevier Ltd. All rights reserved.

Quantitative Microstructure Characterization of a NMC Electrode

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

Usseglio Viretta, Francois L; Smith, Kandler A

Performance of lithium-ion batteries (LIBs) is strongly influenced by the porous microstructure of their electrodes. In this work, 3D microstructures of calendared and un-calendared positive electrode LiNi1/3Mn1/3Co1/3O2 (NMC) have been investigated in order to extract relevant properties useful for battery modeling. Transport (volume fraction, connectivity, particle size and tortuosity) and electrochemical (specific surface area) properties have been calculated for the pore and the active material. Special attention has been paid to determine the size of the so-called representative volume element (RVE) required to be statistically representative of the heterogeneous medium. Several parameters have been calculated using a panel of differentmore » numerical methods in order to compare their results. Besides, the image level of detail has been evaluated (using original criteria based upon edge detection) to assess the overall data quality available for the study.« less

Parametric estimate of the relative photon yields from the glasma and the quark-gluon plasma in heavy-ion collisions

DOE PAGES

Berges, Jürgen; Reygers, Klaus; Tanji, Naoto; ...

2017-05-09

Recent classical-statistical numerical simulations have established the “bottom-up” thermalization scenario of Baier et al. [Phys. Lett. B 502, 51 (2001)] as the correct weak coupling effective theory for thermalization in ultrarelativistic heavy-ion collisions. In this paper, we perform a parametric study of photon production in the various stages of this bottom-up framework to ascertain the relative contribution of the off-equilibrium “glasma” relative to that of a thermalized quark-gluon plasma. Taking into account the constraints imposed by the measured charged hadron multiplicities at Relativistic Heavy Ion Collider (RHIC) and the Large Hadron Collider (LHC), we find that glasma contributions are importantmore » especially for large values of the saturation scale at both energies. Finally, these nonequilibrium effects should therefore be taken into account in studies where weak coupling methods are employed to compute photon yields.« less

Are Lithium Ion Cells Intrinsically Safe?

PubMed Central

Dubaniewicz, Thomas H.; DuCarme, Joseph P.

2015-01-01

National Institute for Occupational Safety and Health researchers are studying the potential for Li-ion-battery thermal runaway from an internal short circuit in equipment approved as permissible for use in underground coal mines. Researchers used a plastic wedge to induce internal short circuits for thermal runaway susceptibility evaluation purposes, which proved to be a more severe test than the flat plate method for selected Li-ion cells. Researchers conducted cell crush tests within a 20-L chamber filled with 6.5% CH4–air to simulate the mining hazard. Results indicate that LG Chem ICR18650S2 LiCoO2 cells pose a CH4 explosion hazard from a cell internal short circuit. Under specified test conditions, A123 Systems 26650 LiFePO4 cells were safer than the LG Chem ICR18650S2 LiCoO2 cells at a conservative statistical significance level. PMID:26166911

Solar flare ionization in the mesosphere observed by coherent-scatter radar

NASA Technical Reports Server (NTRS)

Parker, J. W.; Bowhill, S. A.

1986-01-01

The coherent-scatter technique, as used with the Urbana radar, is able to measure relative changes in electron density at one altitude during the progress of a solar flare when that altitude contains a statistically steady turbulent layer. This work describes the analysis of Urbana coherent-scatter data from the times of 13 solar flares in the period from 1978 to 1983. Previous methods of measuring electron density changes in the D-region are summarized. Models of X-ray spectra, photoionization rates, and ion-recombination reaction schemes are reviewed. The coherent-scatter technique is briefly described, and a model is developed which relates changes in scattered power to changes in electron density. An analysis technique is developed using X-ray flux data from geostationary satellites and coherent scatter data from the Urbana radar which empirically distinguishes between proposed D-region ion-chemical schemes, and estimates the nonflare ion-pair production rate.

Determining fundamental properties of matter created in ultrarelativistic heavy-ion collisions

NASA Astrophysics Data System (ADS)

Novak, J.; Novak, K.; Pratt, S.; Vredevoogd, J.; Coleman-Smith, C. E.; Wolpert, R. L.

2014-03-01

Posterior distributions for physical parameters describing relativistic heavy-ion collisions, such as the viscosity of the quark-gluon plasma, are extracted through a comparison of hydrodynamic-based transport models to experimental results from 100AGeV+100AGeV Au +Au collisions at the Relativistic Heavy Ion Collider. By simultaneously varying six parameters and by evaluating several classes of observables, we are able to explore the complex intertwined dependencies of observables on model parameters. The methods provide a full multidimensional posterior distribution for the model output, including a range of acceptable values for each parameter, and reveal correlations between them. The breadth of observables and the number of parameters considered here go beyond previous studies in this field. The statistical tools, which are based upon Gaussian process emulators, are tested in detail and should be extendable to larger data sets and a higher number of parameters.

MALDI versus ESI: The Impact of the Ion Source on Peptide Identification.

PubMed

Nadler, Wiebke Maria; Waidelich, Dietmar; Kerner, Alexander; Hanke, Sabrina; Berg, Regina; Trumpp, Andreas; Rösli, Christoph

2017-03-03

For mass spectrometry-based proteomic analyses, electrospray ionization (ESI) and matrix-assisted laser desorption/ionization (MALDI) are the commonly used ionization techniques. To investigate the influence of the ion source on peptide detection in large-scale proteomics, an optimized GeLC/MS workflow was developed and applied either with ESI/MS or with MALDI/MS for the proteomic analysis of different human cell lines of pancreatic origin. Statistical analysis of the resulting data set with more than 72 000 peptides emphasized the complementary character of the two methods, as the percentage of peptides identified with both approaches was as low as 39%. Significant differences between the resulting peptide sets were observed with respect to amino acid composition, charge-related parameters, hydrophobicity, and modifications of the detected peptides and could be linked to factors governing the respective ion yields in ESI and MALDI.

Precipitation chemistry affected by differences in location of collection sites and storage methods

NASA Astrophysics Data System (ADS)

Mahendrappa, M. K.

An investigation was carried out to evaluate rigorously the possible differences in measured concentrations of hydrogen, nitrate and sulfate ions in 'bulk' precipitation samples that may be caused by variations in location of rain collectors, and duration and temperature of storage. Storage of precipitation samples, up to 1 month, both in the coldroom and in the field resulted in a significant reduction in the concentration of hydrogen ions. Only field storage caused a statistically significant reduction in the concentration of nitrate in the precipitation samples. Levels of sulfate ions were not found to be significantly affected by storage either in the field or in coldrooms. Samples collected from a rain gage located on a building roof were more acidic than those collected in open spaces in forests. Though all samples showed similar seasonal patterns in the concentrations of sulfate and nitrate, the individual values consistently differed from each other.

Combination of rice husk and coconut shell activated adsorbent to adsorb Pb(II) ionic metal and it’s analysis using solid-phase spectrophotometry (sps)

NASA Astrophysics Data System (ADS)

Rohmah, D. N.; Saputro, S.; Masykuri, M.; Mahardiani, L.

2018-03-01

The purpose of this research was to know the effect and determine the mass comparation which most effective combination between rice husk and coconut shell activated adsorbent to adsorb Pb (II) ion using SPS method. This research used experimental method. Technique to collecting this datas of this research is carried out by several stages, which are: (1) carbonization of rice husk and coconut shell adsorbent using muffle furnace at a temperature of 350°C for an hour; (2) activation of the rice husk and coconut shell adsorbent using NaOH 1N and ZnCl2 15% activator; (3) contacting the adsorbent of rice husk and coconut shell activated adsorbent with liquid waste simulation of Pb(II) using variation comparison of rice husk and coconut shell, 1:0; 0:1; 1:1; 2:1; 1:2; (4) analysis of Pb(II) using Solid-Phase Spectrophotometry (SPS); (5) characterization of combination rice husk and coconut shell activated adsorbent using FTIR. The result of this research show that the combined effect of combination rice husk and coconut shell activated adsorbent can increase the ability of the adsorbent to absorb Pb(II) ion then the optimum adsorbent mass ratio required for absorbing 20 mL of Pb(II) ion with a concentration of 49.99 µg/L is a ratio of 2:1 with the absorption level of 97,06%Solid-Phase Spectrophotometry (SPS) is an effective method in the level of µg/L, be marked with the Limit of Detection (LOD) of 0.03 µg/L.

Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

NASA Astrophysics Data System (ADS)

Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

2018-01-01

New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

Optical study of active ion transport in lipid vesicles containing reconstituted Na,K-ATPase.

PubMed

Apell, H J; Marcus, M M; Anner, B M; Oetliker, H; Läuger, P

1985-01-01

A fluorescence method is described for the measurement of ATP-driven ion fluxes in lipid vesicles containing purified Na,K-ATPase. The membrane voltage of enzyme containing vesicles was measured by using a voltage-sensitive indocyanine dye. By addition of valinomycin the vesicle membrane is made selectively permeable to K+ so that the membrane voltage approaches the Nernst potential for K+. With constant external K+ concentration, the time course of internal K+ concentration can be continuously measured as change of the fluorescence signal after activation of the pump. The optical method has a higher time resolution than tracer-flux experiments and allows an accurate determination of initial flux rates. From the temperature dependence of active K+ transport its activation energy was determined to be 115 kJ/mol. ATP-stimulated electrogenic pumping can be measured as fast fluorescence change when the membrane conductance is low (i.e., at low or zero valinomycin concentration). In accordance with expectation, the amplitude of the fast signal change increases with decreasing passive ion permeability of the vesicle membrane. The resolution of the charge movement is so high that a few pump turnovers can be easily detected.

Evaluation on the use of cerium in the NBL Titrimetric Method

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

Zebrowski, J.P.; Orlowicz, G.J.; Johnson, K.D.

An alternative to potassium dichromate as titrant in the New Brunswick Laboratory Titrimetric Method for uranium analysis was sought since chromium in the waste makes disposal difficult. Substitution of a ceric-based titrant was statistically evaluated. Analysis of the data indicated statistically equivalent precisions for the two methods, but a significant overall bias of +0.035% for the ceric titrant procedure. The cause of the bias was investigated, alterations to the procedure were made, and a second statistical study was performed. This second study revealed no statistically significant bias, nor any analyst-to-analyst variation in the ceric titration procedure. A statistically significant day-to-daymore » variation was detected, but this was physically small (0.01 5%) and was only detected because of the within-day precision of the method. The added mean and standard deviation of the %RD for a single measurement was found to be 0.031%. A comparison with quality control blind dichromate titration data again indicated similar overall precision. Effects of ten elements on the ceric titration`s performance was determined. Co, Ti, Cu, Ni, Na, Mg, Gd, Zn, Cd, and Cr in previous work at NBL these impurities did not interfere with the potassium dichromate titrant. This study indicated similar results for the ceric titrant, with the exception of Ti. All the elements (excluding Ti and Cr), caused no statistically significant bias in uranium measurements at levels of 10 mg impurity per 20-40 mg uranium. The presence of Ti was found to cause a bias of {minus}0.05%; this is attributed to the presence of sulfate ions, resulting in precipitation of titanium sulfate and occlusion of uranium. A negative bias of 0.012% was also statistically observed in the samples containing chromium impurities.« less

Distribution of energetic oxygen and hydrogen in the near-Earth plasma sheet

NASA Astrophysics Data System (ADS)

Kronberg, E. A.; Grigorenko, E. E.; Haaland, S. E.; Daly, P. W.; Delcourt, D. C.; Luo, H.; Kistler, L. M.; Dandouras, I.

2015-05-01

The spatial distributions of different ion species are useful indicators for plasma sheet dynamics. In this statistical study based on 7 years of Cluster observations, we establish the spatial distributions of oxygen ions and protons at energies from 274 to 955 keV, depending on geomagnetic and solar wind (SW) conditions. Compared with protons, the distribution of energetic oxygen has stronger dawn-dusk asymmetry in response to changes in the geomagnetic activity. When the interplanetary magnetic field (IMF) is directed southward, the oxygen ions show significant acceleration in the tail plasma sheet. Changes in the SW dynamic pressure (Pdyn) affect the oxygen and proton intensities in the same way. The energetic protons show significant intensity increases at the near-Earth duskside during disturbed geomagnetic conditions, enhanced SW Pdyn, and southward IMF, implying there location of effective inductive acceleration mechanisms and a strong duskward drift due to the increase of the magnetic field gradient in the near-Earth tail. Higher losses of energetic ions are observed in the dayside plasma sheet under disturbed geomagnetic conditions and enhanced SW Pdyn. These observations are in agreement with theoretical models.

Plasma currents and anisotropy in the tail-dipole transition region

NASA Astrophysics Data System (ADS)

Artemyev, A.; Zhang, X. J.; Angelopoulos, V.; Runov, A.

2017-12-01

Using conjugated THEMIS and Van Allen Probes observations in the nightside magnetosphere, we examine statistically plasma and magnetic field characteristics at multiple locations simultaneously across the 3-10 RE region (i.e., across the tail-dipole transition region, whose location depends on tail flux loading and the strength of global convection). We find that the spatial distributions of ion and electron anisotropies vary significantly but systematically with radial distance and geomagnetic activity. For low Kp (<2), ions are transversely anisotropic near Earth but isotropic in the tail, whereas electrons are isotropic closer to Earth but field-aligned in tail. For large Kp (>4), the anisotropy profiles for ions and electrons reverse: ions are isotropic closer to the Earth and field-aligned in the tail, whereas electrons are transversely anisotropic closer to Earth but isotropic in the tail. Using the measured plasma anisotropy radial profiles we estimate the currents from curvature drifts and compare them with diamagnetic currents. We also discuss the implications of the observed plasma anisotropies for the presence and spatial distribution of field-aligned electric fields.

Concentration of Calcium, Phosphate and Fluoride Ions in Microbial Plaque and Saliva after Using CPP-ACP Paste in 6-9 year-old Children

PubMed Central

HR, Poureslami; Ra, Hoseinifar; Re, Hoseinifar; H, Sharifi; P, Poureslami

2016-01-01

Statement of Problem: Dental caries is one of the most common chronic diseases in children. The balance between demineralization and remineralization of the decayed teeth depends on the calcium and phosphate content of the tooth surface. Therefore, if a product such as casein phospho peptides - amorphous calcium phosphate (CPP- ACP) which can significantly increase the availability of calcium and phosphate in the plaque and saliva should have an anti-caries protective effect. Objectives: The purpose of this study was to evaluate the concentration of calcium, phosphate and fluoride in the plaque and saliva of children before and after applying the CPP-ACP paste. Materials and Methods: A total of 25 children aged between 6-9 years were selected for this clinical trial study. At first, 1 ml of unstimulated saliva was collected and then 1 mg of the plaque sample was collected from the buccal surfaces of the two first primary molars on the upper jaw. In the next step, CPP-ACP paste (GC Corp, Japan) was applied on the tooth surfaces and then the plaque and saliva sampling was performed after 60 minutes. The amount of calcium ions was measured by Ion meter instrument (Metrohm Co, Swiss) and the amounts of phosphate and fluoride ions were measured by Ion Chromatography instrument (Metrohm Co, Swiss). Data were analyzed using paired t-test at a p < 0.05 level of significance. Results: There were statistically significant differences in the calcium and phosphate concentration of the saliva and plaque before and after applying the CPP-ACP paste. There were also statistically significant differences in the fluoride levels of the plaque before and after applying the CPP-ACP paste. However, there were no statistically significant differences in the fluoride levels of the saliva before and after applying the CPP-ACP paste. Conclusions: In this study, the use of the CPP-ACP paste significantly increased the fluoride levels of the plaque and the calcium and phosphate levels of both saliva and plaque. Hence, CPP-ACP paste can facilitate the remineralization of tooth surfaces and is useful for protecting the primary teeth. PMID:28959745

Photocaged DNAzymes as a general method for sensing metal ions in living cells

DOE PAGES

Hwang, Kevin; Wu, Peiwen; Kim, Taejin; ...

2014-10-14

DNAzymes, which are sequences of DNA with catalytic activity, have been demonstrated as a potential platform for sensing a wide range of metal ions. Despite their significant promise, cellular sensing using DNAzymes has however been difficult, mainly because of the “always-on” mode of first-generation DNAzyme sensors. In this paper, to overcome this limitation, a photoactivatable (or photocaged) DNAzyme was designed and synthesized, and its application in sensing Zn lI in living cells was demonstrated. In this design, the adenosine ribonucleotide at the scissile position of the 8–17 DNAzyme was replaced by 2'-O-nitrobenzyl adenosine, rendering the DNAzyme inactive and thus allowingmore » its delivery into cells intact, protected from nonspecific degradation within cells. Irradiation at 365 nm restored DNAzyme activity, thus allowing the temporal control over the sensing activity of the DNAzyme for metal ions. Finally, the same strategy was also applied to the GR-5 DNAzyme for the detection of PbII, thus demonstrating the possible scope of the method.« less

Sodium-ion supercapacitors based on nanoporous pyroproteins containing redox-active heteroatoms

NASA Astrophysics Data System (ADS)

Cho, Se Youn; Yoon, Hyeon Ji; Kim, Na Rae; Yun, Young Soo; Jin, Hyoung-Joon

2016-10-01

Nanostructured carbon-based materials fabricated via simple methods from renewable bio-resources have great potential in rechargeable energy storage systems. In this study, nanoporous pyroproteins containing a large amount of redox-active heteroatoms (H-NPs) were fabricated from silk fibroin by an in situ carbonization/activation method. The H-NPs have a large surface area of ∼3050 m2 g-1, which is mainly comprised of nanometer-scale pores. Also, these H-NPs have oxygen and nitrogen heteroatoms of 17.4 wt% and 2.9 wt%, respectively. Synergistic sodium ion storage behaviors originate from electrochemical double layer capacitance and pseudocapacitance, leading to very high electrochemical performances of H-NPs in aqueous and non-aqueous electrolyte systems. Sodium-ion supercapacitors (NISs) based on commercial graphite//H-NPs show a high specific power of ∼1900 W kg-1 at ∼77 Wh kg-1. Also, NISs based on commercial hard carbon//H-NPs exhibit a high specific energy of ∼217 Wh kg-1 at ∼42 W kg-1. In addition, outstanding cycling performances over 30,000 cycles are achieved for symmetric NISs.

Comparison of ion-pair chromatography and capillary zone electrophoresis for the assay of organic acids as markers of abnormal metabolism.

PubMed

Wang, Shu-Ping; Liao, Chiou-Shyi

2004-10-08

The abnormal organic acids in urine are closely related with physiological metabolism. To determinate the low-molecular-mass metabolites in human biological fluids, although there were some previous reports by both of capillary electrophoresis and ion-exchange high-performance liquid chromatography, but it was rarely found by reverse phase of liquid chromatography using ion pair reagent. The objective of this study was aimed to suggest and compare two methods, an additional chromatographic method-ion-pair chromatography (IPC) and a sharp capillary zone electrophoresis (CZE), to determinate organic acids, acting as the abnormal metabolic markers, namely uric acid, orotic acid, pyruvic acid, alpha-ketoglutaric acid, fumaric acid, and hippuric acid. The proposed method of IPC possessed both the extreme stability for column and the good results of reproducibility, linearity and detection limit. The optimum mobile phase was 22% methanol and 10 mM tetra-n-butyl ammonium hydrogen sulfate (pH 4) by gradient elution. As well as the optimum condition of CZE was 5% acetonitrile and 0.5 mM CTAB in phosphate buffer. From the results, CZE showed better recovery and sharp lucid electropherogram. Finally, the two proposed analytical methods were applied to assay human urine with direct and spiked analysis. CZE showed good potency to overcome the sample-to sample variation with standard deviation less than 10%. By comparison results of urinary spiked analysis between IPC and CZE by statistical paired t-test, the results were evaluated no significant difference under P < 0.05. The quantitative linearity of both methods was fitted in application of clinical biological analysis even with 50-fold dilution.

Reversible Redox Activity by Ion-pH Dually Modulated Duplex Formation of i-Motif DNA with Complementary G-DNA.

PubMed

Chang, Soyoung; Kilic, Tugba; Lee, Chang Kee; Avci, Huseyin; Bae, Hojae; Oskui, Shirin Mesbah; Jung, Sung Mi; Shin, Su Ryon; Kim, Seon Jeong

2018-04-08

The unique biological features of supramolecular DNA have led to an increasing interest in biomedical applications such as biosensors. We have developed an i-motif and G-rich DNA conjugated single-walled carbon nanotube hybrid materials, which shows reversible conformational switching upon external stimuli such as pH (5 and 8) and presence of ions (Li⁺ and K⁺). We observed reversible electrochemical redox activity upon external stimuli in a quick and robust manner. Given the ease and the robustness of this method, we believe that pH- and ion-driven reversible DNA structure transformations will be utilized for future applications for developing novel biosensors.

Taguchi Based Performance and Reliability Improvement of an Ion Chamber Amplifier for Enhanced Nuclear Reactor Safety

NASA Astrophysics Data System (ADS)

Kulkarni, R. D.; Agarwal, Vivek

2008-08-01

An ion chamber amplifier (ICA) is used as a safety device for neutronic power (flux) measurement in regulation and protection systems of nuclear reactors. Therefore, performance reliability of an ICA is an important issue. Appropriate quality engineering is essential to achieve a robust design and performance of the ICA circuit. It is observed that the low input bias current operational amplifiers used in the input stage of the ICA circuit are the most critical devices for proper functioning of the ICA. They are very sensitive to the gamma radiation present in their close vicinity. Therefore, the response of the ICA deteriorates with exposure to gamma radiation resulting in a decrease in the overall reliability, unless desired performance is ensured under all conditions. This paper presents a performance enhancement scheme for an ICA operated in the nuclear environment. The Taguchi method, which is a proven technique for reliability enhancement, has been used in this work. It is demonstrated that if a statistical, optimal design approach, like the Taguchi method is used, the cost of high quality and reliability may be brought down drastically. The complete methodology and statistical calculations involved are presented, as are the experimental and simulation results to arrive at a robust design of the ICA.

Explorations in Statistics: Permutation Methods

ERIC Educational Resources Information Center

Curran-Everett, Douglas

2012-01-01

Learning about statistics is a lot like learning about science: the learning is more meaningful if you can actively explore. This eighth installment of "Explorations in Statistics" explores permutation methods, empiric procedures we can use to assess an experimental result--to test a null hypothesis--when we are reluctant to trust statistical…

Development of a High-Throughput Ion-Exchange Resin Characterization Workflow.

PubMed

Liu, Chun; Dermody, Daniel; Harris, Keith; Boomgaard, Thomas; Sweeney, Jeff; Gisch, Daryl; Goltz, Bob

2017-06-12

A novel high-throughout (HTR) ion-exchange (IEX) resin workflow has been developed for characterizing ion exchange equilibrium of commercial and experimental IEX resins against a range of different applications where water environment differs from site to site. Because of its much higher throughput, design of experiment (DOE) methodology can be easily applied for studying the effects of multiple factors on resin performance. Two case studies will be presented to illustrate the efficacy of the combined HTR workflow and DOE method. In case study one, a series of anion exchange resins have been screened for selective removal of NO 3 - and NO 2 - in water environments consisting of multiple other anions, varied pH, and ionic strength. The response surface model (RSM) is developed to statistically correlate the resin performance with the water composition and predict the best resin candidate. In case study two, the same HTR workflow and DOE method have been applied for screening different cation exchange resins in terms of the selective removal of Mg 2+ , Ca 2+ , and Ba 2+ from high total dissolved salt (TDS) water. A master DOE model including all of the cation exchange resins is created to predict divalent cation removal by different IEX resins under specific conditions, from which the best resin candidates can be identified. The successful adoption of HTR workflow and DOE method for studying the ion exchange of IEX resins can significantly reduce the resources and time to address industry and application needs.

Use of ion conductors in the pyrochemical reduction of oxides

DOEpatents

Miller, W.E.; Tomczuk, Z.

1994-02-01

An electrochemical process and electrochemical cell for reducing a metal oxide are provided. First the oxide is separated as oxygen gas using, for example, a ZrO[sub 2] oxygen ion conductor anode and the metal ions from the reduction salt are reduced and deposited on an ion conductor cathode, for example, sodium ion reduced on a [beta]-alumina sodium ion conductor cathode. The generation of and separation of oxygen gas avoids the problem with chemical back reaction of oxygen with active metals in the cell. The method also is characterized by a sequence of two steps where an inert cathode electrode is inserted into the electrochemical cell in the second step and the metallic component in the ion conductor is then used as the anode to cause electrochemical reduction of the metal ions formed in the first step from the metal oxide where oxygen gas formed at the anode. The use of ion conductors serves to isolate the active components from chemically reacting with certain chemicals in the cell. While applicable to a variety of metal oxides, the invention has special importance for reducing CaO to Ca[sup o] used for reducing UO[sub 2] and PuO[sub 2] to U and Pu. 2 figures.

Cyanobacteria as test organisms and biosorbents

NASA Astrophysics Data System (ADS)

Fokina, A. I.; Ogorodnikova, S. Yu.; Domracheva, L. I.; Lyalina, E. I.; Gornostaeva, E. A.; Ashikhmina, T. Ya.; Kondakova, L. V.

2017-01-01

Bioassay and biosorption potentials of different groups of cyanobacteria ( CB)— Nostoc linckia (Roth.) Born. et Flah. No. 271, natural biofilms dominated by CB of Phormidium genus, and biofilms dominated by Nostoc commune (Vauch. Elenk)—were estimated. The physiological-biochemical response of CB to the influence of copper sulfate (II) (catalase activity with a gasometric method and dehydrogenase activity, lipid peroxidation, and chlorophyll ɑ and pheophytin contents with a spectrophotometric method) was studied; metal bioaccumulation was determined with a stripping voltammetry method. It was found that the communities dominated by Phormidium genus (CB biomass 0.2 g/dm3) removed copper compounds from the solutions with Cu2+ ion concentration of 20 mg/dm3 almost completely (by 99%); communities dominated by CB N. commune, by 87%; and pure culture of N. linckia, by 50%. Dehydrogenase and catalase activities and the intensity of bioluminescence proved to be sensitive indicators of the response of CB to Cu2+ ions. The impact of Cu2+ ions (20 mg/dm3) on a biofilm dominated by CB of Phormidium genus resulted in the fivefold decrease of catalase activity during 24 h; dehydrogenase activity decreased by nearly 357 times. The bioluminescence intensity during 24 h decreased by 1.3-100 times under the impact of Cu2+ (2 mg/dm3) and by 8.6-200 times in variants with a higher concentration of Cu2+ (20 mg/dm3). This regularity can be used as a test function in bioassay.

Using DFT Methods to Study Activators in Optical Materials

DOE PAGES

Du, Mao-Hua

2015-08-17

Density functional theory (DFT) calculations of various activators (ranging from transition metal ions, rare-earth ions, ns 2 ions, to self-trapped and dopant-bound excitons) in phosphors and scintillators are reviewed. As a single-particle ground-state theory, DFT calculations cannot reproduce the experimentally observed optical spectra, which involve transitions between multi-electronic states. However, DFT calculations can generally provide sufficiently accurate structural relaxation and distinguish different hybridization strengths between an activator and its ligands in different host compounds. This is important because the activator-ligand interaction often governs the trends in luminescence properties in phosphors and scintillators, and can be used to search for newmore » materials. DFT calculations of the electronic structure of the host compound and the positions of the activator levels relative to the host band edges in scintillators are also important for finding optimal host-activator combinations for high light yields and fast scintillation response. Mn 4+ activated red phosphors, scintillators activated by Ce 3+, Eu 2+, Tl +, and excitons are shown as examples of using DFT calculations in phosphor and scintillator research.« less

Geomagnetic and solar activity dependence of ionospheric upflowing O+: FAST observations

NASA Astrophysics Data System (ADS)

Zhao, K.; Jiang, Y.; Chen, K. W.; Huang, L. F.

2016-09-01

This paper investigates the dependence of the occurrence frequency of ionospheric upflowing oxygen (O+) ions on the sunspot cycle and geomagnetic activity. We examine the upflows response to the geomagnetic disturbances as well as the influence of the ion energy factor in controlling the magnitude of the occurrence frequency and the net energy flux. We discuss the spatial distribution of the upflow occurrence frequency and construct a regression model as a function of the magnetic latitude. The results show an overall enhancement of the upflow occurrence frequency during magnetically disturbed periods and indicate that the high-occurrence area spreads out from the source regions during magnetically quiet periods. The high-occurrence areas are located at 70° magnetic latitude (mLat) in the dayside auroral oval zone and between 76-80° mLat in the dayside polar cusp region. In the nightside auroral oval zone, these areas are near 60° mLat, penetrating further equatorward to 55° mLat during magnetically disturbed periods. High energy (≥1 keV) upflowing ions are common in the nightside auroral oval zone while low energy (<1 keV) upflowing ions are found escaping from the high latitude dayside cusp region. A Gaussian function is shown to be a good fit to the occurrence frequency over the magnetic latitude. For high energy upflowing O+ ions, the occurrence frequency exhibits a single peak located at about 60° mLat in the nightside auroral oval zone while for low energy upflowing O+ ions, it exhibits two peaks, one near 60° mLat in the auroral oval zone and the other near 78° mLat in the cusp region. We study the solar activity dependence by analyzing the relationship between the upflow occurrence frequency and the sunspot number (RZ). The statistical result shows that the frequency decreases with declining solar activity level, from ˜30 % at solar maximum to ˜5 % at solar minimum. In addition, the correlation coefficient between the occurrence frequency and RZ is 0.9.

Global Profiling and Novel Structure Discovery Using Multiple Neutral Loss/Precursor Ion Scanning Combined with Substructure Recognition and Statistical Analysis (MNPSS): Characterization of Terpene-Conjugated Curcuminoids in Curcuma longa as a Case Study.

PubMed

Qiao, Xue; Lin, Xiong-hao; Ji, Shuai; Zhang, Zheng-xiang; Bo, Tao; Guo, De-an; Ye, Min

2016-01-05

To fully understand the chemical diversity of an herbal medicine is challenging. In this work, we describe a new approach to globally profile and discover novel compounds from an herbal extract using multiple neutral loss/precursor ion scanning combined with substructure recognition and statistical analysis. Turmeric (the rhizomes of Curcuma longa L.) was used as an example. This approach consists of three steps: (i) multiple neutral loss/precursor ion scanning to obtain substructure information; (ii) targeted identification of new compounds by extracted ion current and substructure recognition; and (iii) untargeted identification using total ion current and multivariate statistical analysis to discover novel structures. Using this approach, 846 terpecurcumins (terpene-conjugated curcuminoids) were discovered from turmeric, including a number of potentially novel compounds. Furthermore, two unprecedented compounds (terpecurcumins X and Y) were purified, and their structures were identified by NMR spectroscopy. This study extended the application of mass spectrometry to global profiling of natural products in herbal medicines and could help chemists to rapidly discover novel compounds from a complex matrix.

Feasibility of corona discharge ion mobility spectrometry for direct analysis of samples extracted by dispersive liquid-liquid microextraction.

PubMed

Jafari, Mohammad T; Riahi, Farhad

2014-05-23

The capability of corona discharge ionization ion mobility spectrometry (CD-IMS) for direct analysis of the samples extracted by dispersive liquid-liquid microextraction (DLLME) was investigated and evaluated, for the first time. To that end, an appropriate new injection port was designed and constructed, resulting in possibility of direct injection of the known sample volume, without tedious sample preparation steps (e.g. derivatization, solvent evaporation, and re-solving in another solvent…). Malathion as a test compound was extracted from different matrices by a rapid and convenient DLLME method. The positive ion mobility spectra of the extracted malathion were obtained after direct injection of carbon tetrachloride or methanol solutions. The analyte responses were compared and the statistical results revealed the feasibility of direct analysis of the extracted samples in carbon tetrachloride, resulting in a convenient methodology. The coupled method of DLLME-CD-IMS was exhaustively validated in terms of sensitivity, dynamic range, recovery, and enrichment factor. Finally, various real samples of apple, river and underground water were analyzed, all verifying the feasibility and success of the proposed method for the easy extraction of the analyte using DLLME separation before the direct analysis by CD-IMS. Copyright © 2014 Elsevier B.V. All rights reserved.

Assessing the role of spatial structure on cell-specific activity and interactions within uncultured methane-oxidizing syntrophic consortia (Invited)

NASA Astrophysics Data System (ADS)

Orphan, V. J.; McGlynn, S.; Chadwick, G.; Dekas, A.; Green-Saxena, A.

2013-12-01

Sulfate-coupled anaerobic oxidation of methane is catalysed through symbiotic associations between archaea and sulphate-reducing bacteria and represents the dominant sink for methane in the oceans. These methane-oxidizing symbiotic consortia form well-structured multi-celled aggregations in marine methane seeps, where close spatial proximity is believed to be essential for efficient exchange of substrates between syntrophic partners. The nature of this interspecies metabolic relationship is still unknown however there are a number of hypotheses regarding the electron carrying intermediate and ecophysiology of the partners, each of which should be affected by, and influence, the spatial arrangement of archaeal and bacterial cells within aggregates. To advance our understanding of the role of spatial structure within naturally occurring environmental consortia, we are using spatial statistical methods combined with fluorescence in situ hybridization and high-resolution nanoscale secondary ion mass spectrometry (FISH-nanoSIMS) to quantify the effect of spatial organization and intra- and inter-species interactions on cell-specific microbial activity within these diverse archaeal-bacterial partnerships.

Magnetic holes in the dipolarized magnetotail: ion and electron anisotropies

NASA Astrophysics Data System (ADS)

Shustov, P.; Artemyev, A.; Zhang, X. J.; Yushkov, E.; Petrukovich, A. A.

2017-12-01

We conduct statistics on magnetic holes observed by THEMIS spacecraft in the near-Earth magnetotail. Groups of holes are detected after dipolarizations in the quiet, equatorial plasma sheet. Magnetic holes are characterized by significant magnetic field depressions (up to 50%) and strong electron currents ( 10-50 nA/m2), with spatial scales much smaller than the ion gyroradius. These magnetic holes are populated by hot (>10 keV), transversely anisotropic electrons supporting the pressure balance. We present statistical properties of these sub-ion scale magnetic holes and discuss possible mechanisms on the hole formation.

ICan: An Optimized Ion-Current-Based Quantification Procedure with Enhanced Quantitative Accuracy and Sensitivity in Biomarker Discovery

PubMed Central

2015-01-01

The rapidly expanding availability of high-resolution mass spectrometry has substantially enhanced the ion-current-based relative quantification techniques. Despite the increasing interest in ion-current-based methods, quantitative sensitivity, accuracy, and false discovery rate remain the major concerns; consequently, comprehensive evaluation and development in these regards are urgently needed. Here we describe an integrated, new procedure for data normalization and protein ratio estimation, termed ICan, for improved ion-current-based analysis of data generated by high-resolution mass spectrometry (MS). ICan achieved significantly better accuracy and precision, and lower false-positive rate for discovering altered proteins, over current popular pipelines. A spiked-in experiment was used to evaluate the performance of ICan to detect small changes. In this study E. coli extracts were spiked with moderate-abundance proteins from human plasma (MAP, enriched by IgY14-SuperMix procedure) at two different levels to set a small change of 1.5-fold. Forty-five (92%, with an average ratio of 1.71 ± 0.13) of 49 identified MAP protein (i.e., the true positives) and none of the reference proteins (1.0-fold) were determined as significantly altered proteins, with cutoff thresholds of ≥1.3-fold change and p ≤ 0.05. This is the first study to evaluate and prove competitive performance of the ion-current-based approach for assigning significance to proteins with small changes. By comparison, other methods showed remarkably inferior performance. ICan can be broadly applicable to reliable and sensitive proteomic survey of multiple biological samples with the use of high-resolution MS. Moreover, many key features evaluated and optimized here such as normalization, protein ratio determination, and statistical analyses are also valuable for data analysis by isotope-labeling methods. PMID:25285707

Destruction of chloroanisoles by using a hydrogen peroxide activated method and its application to remove chloroanisoles from cork stoppers.

PubMed

Recio, Eliseo; Alvarez-Rodríguez, María Luisa; Rumbero, Angel; Garzón, Enrique; Coque, Juan José R

2011-12-14

A chemical method for the efficient destruction of 2,4,6-trichloroanisole (TCA) and pentachloroanisole (PCA) in aqueous solutions by using hydrogen peroxide as an oxidant catalyzed by molybdate ions in alkaline conditions was developed. Under optimal conditions, more than 80.0% TCA and 75.8% PCA were degraded within the first 60 min of reaction. Chloroanisoles destruction was followed by a concomitant release of up to 2.9 chloride ions per TCA molecule and 4.6 chloride ions per PCA molecule, indicating an almost complete dehalogenation of chloroanisoles. This method was modified to be adapted to chloroanisoles removal from the surface of cork materials including natural cork stoppers (86.0% decrease in releasable TCA content), agglomerated corks (78.2%), and granulated cork (51.3%). This method has proved to be efficient and inexpensive with practical application in the cork industry to lower TCA levels in cork materials.

Global Geospace Science (GGS)/POLAR Thermal Ion Dynamics Experiments (TIDE) Co-Investigator Program: Mission Operations and Data Analysis (MO/DA)

NASA Technical Reports Server (NTRS)

Nagy, Andrew; Liemohn, M.

2004-01-01

We have pursued several investigations using the Polar/TIDE data set. The first was a comparison of TIDE high-altitude observations with similar ion flux signatures in the Los Alamos National Laboratory (LANL) magnetospheric plasma analyzer (MPA) data. There are several geosynchronously orbiting satellites with LANL MPA instruments onboard. When the satellite is immersed in fresh plasma sheet electrons, the spacecraft voltage drops to several hundred volts negative, and cold ions are accelerated in to the detector. In the LANL MPA spectrograms, the accelerated cold ions appear as a bright, narrow line, following the voltage of the spacecraft. This "ion line" is seen regularly on the nightside, but has not received much attention. The Polar TIDE observations indicated a ubiquitous "lobal wind" in the near-- magnetotail, a field-aligned stream of approx. 100 eV ions flowing out of both polar ionospheres. The interesting result of this research is that the MPA ion line is also peaked in the field-aligned direction, even though the potential well should be uniform in all directions. It is believed that this is evidence that the lobal winds not only populate the high-latitude lobes, but fill the lobes all the way in to the near-Earth plasma sheet (the location of geosynchronous orbit). This activity developed into a full-scale survey of the lobal wind observations in the TIDE database. The universality of these observations with respect to local time and solar wind conditions implies that the ionospheric outflow is supplying the near-Earth plasma sheet at all times, regardless of magnetic activity. We have conducted a statistical study of the characteristics of the lobal wind in these two data sets FIDE and LANL MPA), finding much similarity between them. Using these characteristics as input conditions to our inner magnetosphere ion transport model, we have conducted simulations of the flow of these particles inside of geosynchronous orbit to show the impact these particles will have on the near-Earth space environment. As the study has progressed, these results have been presented several times to the TIDE team during teleconferences. It is planned to present this survey at the GEM 2004 Summer Workshop, and hopefully at additional conferences in the near future. We are presently writing a paper on the lobal wind occurrence statistics, which should be submitted in April or May to the Journal of Geophysical Research for publication. An undergraduate student at the University of Alabama in Huntsville, Will Maddox, working at NASA MSFC with Dr. Paul Craven, is presently creating a database of the values TIDE moments for the lobal wind (under Dr. Liemohn's guidance), and this will be the focus of a follow-on paper.

UVnovo: A De Novo Sequencing Algorithm Using Single Series of Fragment Ions via Chromophore Tagging and 351 nm Ultraviolet Photodissociation Mass Spectrometry

PubMed Central

Robotham, Scott A.; Horton, Andrew P.; Cannon, Joe R.; Cotham, Victoria C.; Marcotte, Edward M.; Brodbelt, Jennifer S.

2016-01-01

De novo peptide sequencing by mass spectrometry represents an important strategy for characterizing novel peptides and proteins, in which a peptide’s amino acid sequence is inferred directly from the precursor peptide mass and tandem mass spectrum (MS/MS or MS3) fragment ions, without comparison to a reference proteome. This method is ideal for organisms or samples lacking a complete or well-annotated reference sequence set. One of the major barriers to de novo spectral interpretation arises from confusion of N- and C-terminal ion series due to the symmetry between b and y ion pairs created by collisional activation methods (or c, z ions for electron-based activation methods). This is known as the ‘antisymmetric path problem’ and leads to inverted amino acid subsequences within a de novo reconstruction. Here, we combine several key strategies for de novo peptide sequencing into a single high-throughput pipeline: high efficiency carbamylation blocks lysine side chains, and subsequent tryptic digestion and N-terminal peptide derivatization with the ultraviolet chromophore AMCA yields peptides susceptible to 351 nm ultraviolet photodissociation (UVPD). UVPD-MS/MS of the AMCA-modified peptides then predominantly produces y ions in the MS/MS spectra, specifically addressing the antisymmetric path problem. Finally, the program UVnovo applies a random forest algorithm to automatically learn from and then interpret UVPD mass spectra, passing results to a hidden Markov model for de novo sequence prediction and scoring. We show this combined strategy provides high performance de novo peptide sequencing, enabling the de novo sequencing of thousands of peptides from an E. coli lysate at high confidence. PMID:26938041

Chemically-modified activated carbon with ethylenediamine for selective solid-phase extraction and preconcentration of metal ions.

PubMed

Li, Zhenhua; Chang, Xijun; Zou, Xiaojun; Zhu, Xiangbing; Nie, Rong; Hu, Zheng; Li, Ruijun

2009-01-26

A new method that utilizes ethylenediamine-modified activated carbon (AC-EDA) as a solid-phase extractant has been developed for simultaneous preconcentration of trace Cr(III), Fe(III), Hg(II) and Pb(II) prior to the measurement by inductively coupled plasma optical emission spectrometry (ICP-OES). The new sorbent was prepared by oxidative surface modification. Experimental conditions for effective adsorption of trace levels of Cr(III), Fe(III), Hg(II) and Pb(II) were optimized with respect to different experimental parameters using batch and column procedures in detail. The optimum pH value for the separation of metal ions simultaneously on the new sorbent was 4.0. Complete elution of absorbed metal ions from the sorbent surface was carried out using 3.0 mL of 2% (%w/w) thiourea and 0.5 mol L(-1) HCl solution. Common coexisting ions did not interfere with the separation and determination of target metal ions. The maximum static adsorption capacity of the sorbent at optimum conditions was found to be 39.4, 28.9, 60.5 and 49.9 mg g(-1) for Cr(III), Fe(III), Hg(II) and Pb(II), respectively. The time for 94% adsorption of target metal ions was less than 2 min. The detection limits of the method was found to be 0.28, 0.22, 0.09 and 0.17 ng mL(-1) for Cr(III), Fe(III), Hg(II) and Pb(II), respectively. The precision (R.S.D.) of the method was lower 4.0% (n=8). The prepared sorbent as solid-phase extractant was successfully applied for the preconcentration of trace Cr(III), Fe(III), Hg(II) and Pb(II) in natural and certified samples with satisfactory results.

Evaluation of Nickel and Chromium Ion Release During Fixed Orthodontic Treatment Using Inductively Coupled Plasma-Mass Spectrometer: An In Vivo Study.

PubMed

Nayak, Rabindra S; Khanna, Bharti; Pasha, Azam; Vinay, K; Narayan, Anjali; Chaitra, K

2015-08-01

Fixed orthodontic appliances with the use of stainless steel brackets and archwires made of nitinol have a corrosive potential in the oral environment. Nickel and chromium ions released from these appliances act as allergens apart from being cytotoxic, mutagenic and carcinogenic in smaller quantities in the range of nanograms. This study was done to evaluate the release of nickel and chromium ions from orthodontic appliances in the oral cavity using Inductively Coupled Plasma-Mass Spectrometer (ICP-MS). Saliva samples from 30 orthodontic patients undergoing treatment with 0.022″ MBT mechanotherapy were collected prior to commencement of treatment, after initial aligning wires and after 10-12 months of treatment. Salivary nickel and chromium ion concentration was measured in parts per billion (ppb) using ICP-MS. Mean, standard deviation and range were computed for the concentrations of ions obtained. Results analyzed using ANOVA indicated a statistically significant increase of 10.35 ppb in nickel ion concentration and 33.53 ppb in chromium ion concentration after initial alignment. The ionic concentration at the end of 10-12 months of treatment showed a statistically significant increase in of 17.92 ppb for chromium and a statistically insignificant decrease in nickel ion concentration by 1.58 ppb. Pearson's correlation coefficient showed a positive correlation for an increase in nickel concentration after aligning, but not at the end of 10-12 months. A positive correlation was seen for an increase in chromium ion concentration at both time intervals. Nickel and chromium ion concentration in saliva even though below the recommended daily allowance should not be ignored in light of the new knowledge regarding effects of these ions at the molecular level and the allergic potential. Careful and detailed medical history of allergy is essential. Nickel free alternatives should form an essential part of an orthodontist's inventory.

Statistical analysis of experimental multifragmentation events in 64Zn+112Sn at 40 MeV/nucleon

NASA Astrophysics Data System (ADS)

Lin, W.; Zheng, H.; Ren, P.; Liu, X.; Huang, M.; Wada, R.; Chen, Z.; Wang, J.; Xiao, G. Q.; Qu, G.

2018-04-01

A statistical multifragmentation model (SMM) is applied to the experimentally observed multifragmentation events in an intermediate heavy-ion reaction. Using the temperature and symmetry energy extracted from the isobaric yield ratio (IYR) method based on the modified Fisher model (MFM), SMM is applied to the reaction 64Zn+112Sn at 40 MeV/nucleon. The experimental isotope distribution and mass distribution of the primary reconstructed fragments are compared without afterburner and they are well reproduced. The extracted temperature T and symmetry energy coefficient asym from SMM simulated events, using the IYR method, are also consistent with those from the experiment. These results strongly suggest that in the multifragmentation process there is a freezeout volume, in which the thermal and chemical equilibrium is established before or at the time of the intermediate-mass fragments emission.

Repeated Administration of Inhibitors for Ion Pumps Reduce Markedly Tumor Growth in Vivo

PubMed Central

Hrgovic, Igor; Glavic, Zeljko; Kovacic, Zeljko; Mulic, Smaila; Zunic, Lejla; Hrgovic, Zlatko

2014-01-01

ABSTRACT Introduction: Measurements of extracellular pH show that the micro environment of malignant tumors is more acidic than that of normal cells, whereas pH does not differ appreciable in normal and malignant cells. The acid micro environment of tumors is created by the secretion of tumor factors and ATP hydrolysis in hypoxic tumor tissue. In order to survive in a low pH-environment tumor cells develop regulatory mechanisms which keep their intracellular pH stable. Two of the most important systems are the Na+/H+ ion pump and the Na-dependent HCO3-/Cl- pump of stilbenian derivatives. Material and methods: Experiments were carried out on DBA mice of both sexes at the age of 4 month. Laboratory animals were grown in our institute and supplied with food and aqua ad libitum. Results: After termination of the experiments the mean tumor diameter in the control group was 12.4±0.8mm, in group A it was 6.9±0.6mm, and in group B we measured 6.6±3.1mm. At the final day the tumor size in treated animals was twice as small as in the control group. In addition we observed the rate of survival. In the control group only 18% of the animals were still alive at day 18. Considering the rate of survival a statistically significant difference between treated and untreated animals was observed. The survival of tumor cells is dependent on the function of these ion pumps which keep their intracellular pH values constant in the setting of an acid extracellular environment. Conclusion: The activity of the ion pump is especially important at the beginning of cell division and in cell proliferation. Our in vivo experiments demonstrate that prolonged administration of intratumoral ion pump inhibitors suppresses tumor growth as well as enhances survival of tumor-bearing animals. Research of inhibitors of ion pumps and their action in tumor growth opens new perspectives into pathophysiology of malignant tumors and may create new therapeutic options. PMID:24937925

Analysis of surface sputtering on a quantum statistical basis

NASA Technical Reports Server (NTRS)

Wilhelm, H. E.

1975-01-01

Surface sputtering is explained theoretically by means of a 3-body sputtering mechanism involving the ion and two surface atoms of the solid. By means of quantum-statistical mechanics, a formula for the sputtering ratio S(E) is derived from first principles. The theoretical sputtering rate S(E) was found experimentally to be proportional to the square of the difference between incident ion energy and the threshold energy for sputtering of surface atoms at low ion energies. Extrapolation of the theoretical sputtering formula to larger ion energies indicates that S(E) reaches a saturation value and finally decreases at high ion energies. The theoretical sputtering ratios S(E) for wolfram, tantalum, and molybdenum are compared with the corresponding experimental sputtering curves in the low energy region from threshold sputtering energy to 120 eV above the respective threshold energy. Theory and experiment are shown to be in good agreement.

Magnetospheric space plasma investigations

NASA Technical Reports Server (NTRS)

Comfort, Richard H.; Horwitz, James L.

1994-01-01

A time dependent semi-kinetic model that includes self collisions and ion-neutral collisions and chemistry was developed. Light ion outflow in the polar cap transition region was modeled and compared with data results. A model study of wave heating of O+ ions in the topside transition region was carried out using a code which does local calculations that include ion-neutral and Coulomb self collisions as well as production and loss of O+. Another project is a statistical study of hydrogen spin curve characteristics in the polar cap. A statistical study of the latitudinal distribution of core plasmas along the L=4.6 field line using DE-1/RIMS data was completed. A short paper on dual spacecraft estimates of ion temperature profiles and heat flows in the plasmasphere ionosphere system was prepared. An automated processing code was used to process RIMS data from 1981 to 1984.

[Transformation of natural products into more potent compounds: chemical modification of monensin].

PubMed

Nagatsu, A; Sakakibara, J

1997-09-01

Monensin (1) is a representative compound of polyether ionophore antibiotics, which selectively transport Na+ ions. In order to obtain potent Na+ ionophores, the modification of the carboxyl group of monensin was carried out to yield monensylamino acids (2) and monensylamino acid-1,29-lactones (3). The Na+ permeability of ion through the erythrocyte membrane of 2 and 3 was evaluated by the 23Na-NMR method. Compound 2 showed less Na+ ion transport activity than monensin, probably due to the lower lipophilicity caused by the conformational change of the chain moiety of the molecules. Although 3 showed higher lipophilisity than 1, 3 had no Na+ ion permeability, probably due to loss of the carboxyl group. As more lipophilic compounds possessing a carboxyl group was supposed to have more ion transport activity, 7-O-acylmonensins (8) and 7-O-alkylmonensins (11) were synthesized. Among these compounds, the value of Na+ ion permeability of 7-O-benzylmonensin (11c) was 1.4 time that of 1. Further investigation was carried out by preparing various 7-O-(substituted benzyl)monensins (13), and 7-O-(p-ethylbenzyl)monensin (13b) exhibited the largest Na+ ion permeability, about twice the value of 1. In order to convert monensin (1) to Ca2+ ionophore, 7-carboxylmethylmonensin (18) via protected 7-oxomonensin (15), and 25-carboxylmonensin (26) were prepared. In the course of the synthesis, 15 was clarified as a useful intermediate to give 7-amino and 7-alkyl derivatives. Ca2+ ion transport activities of 18 and 26 were determined by a CHCl3 liquid membrane system. 25-carboxylmonensin (26) showed 70% of the activity of Ca2+ ionophore, lasalocid A, and compound 26 could be the lead compound for the preparation of a new Ca2+ ionophore.

Relation of short-range and long-range lithium ion dynamics in glass-ceramics: Insights from 7Li NMR field-cycling and field-gradient studies

NASA Astrophysics Data System (ADS)

Haaks, Michael; Martin, Steve W.; Vogel, Michael

2017-09-01

We use various 7Li NMR methods to investigate lithium ion dynamics in 70Li 2S-30 P 2S5 glass and glass-ceramic obtained from this glass after heat treatment. We employ 7Li spin-lattice relaxometry, including field-cycling measurements, and line-shape analysis to investigate short-range ion jumps as well as 7Li field-gradient approaches to characterize long-range ion diffusion. The results show that ceramization substantially enhances the lithium ion mobility on all length scales. For the 70Li 2S-30 P 2S5 glass-ceramic, no evidence is found that bimodal dynamics result from different ion mobilities in glassy and crystalline regions of this sample. Rather, 7Li field-cycling relaxometry shows that dynamic susceptibilities in broad frequency and temperature ranges can be described by thermally activated jumps governed by a Gaussian distribution of activation energies g (Ea) with temperature-independent mean value Em=0.43 eV and standard deviation σ =0.07 eV . Moreover, use of this distribution allows us to rationalize 7Li line-shape results for the local ion jumps. In addition, this information about short-range ion dynamics further explains 7Li field-gradient results for long-range ion diffusion. In particular, we quantitatively show that, consistent with our experimental results, the temperature dependence of the self-diffusion coefficient D is not described by the mean activation energy Em of the local ion jumps, but by a significantly smaller apparent value whenever the distribution of correlation times G (logτ ) of the jump motion derives from an invariant distribution of activation energies and, hence, continuously broadens upon cooling. This effect occurs because the harmonic mean, which determines the results of diffusivity or also conductivity studies, continuously separates from the peak position of G (logτ ) when the width of this distribution increases.

Calculation of out-of-field dose distribution in carbon-ion radiotherapy by Monte Carlo simulation.

PubMed

Yonai, Shunsuke; Matsufuji, Naruhiro; Namba, Masao

2012-08-01

Recent radiotherapy technologies including carbon-ion radiotherapy can improve the dose concentration in the target volume, thereby not only reducing side effects in organs at risk but also the secondary cancer risk within or near the irradiation field. However, secondary cancer risk in the low-dose region is considered to be non-negligible, especially for younger patients. To achieve a dose estimation of the whole body of each patient receiving carbon-ion radiotherapy, which is essential for risk assessment and epidemiological studies, Monte Carlo simulation plays an important role because the treatment planning system can provide dose distribution only in∕near the irradiation field and the measured data are limited. However, validation of Monte Carlo simulations is necessary. The primary purpose of this study was to establish a calculation method using the Monte Carlo code to estimate the dose and quality factor in the body and to validate the proposed method by comparison with experimental data. Furthermore, we show the distributions of dose equivalent in a phantom and identify the partial contribution of each radiation type. We proposed a calculation method based on a Monte Carlo simulation using the PHITS code to estimate absorbed dose, dose equivalent, and dose-averaged quality factor by using the Q(L)-L relationship based on the ICRP 60 recommendation. The values obtained by this method in modeling the passive beam line at the Heavy-Ion Medical Accelerator in Chiba were compared with our previously measured data. It was shown that our calculation model can estimate the measured value within a factor of 2, which included not only the uncertainty of this calculation method but also those regarding the assumptions of the geometrical modeling and the PHITS code. Also, we showed the differences in the doses and the partial contributions of each radiation type between passive and active carbon-ion beams using this calculation method. These results indicated that it is essentially important to include the dose by secondary neutrons in the assessment of the secondary cancer risk of patients receiving carbon-ion radiotherapy with active as well as passive beams. We established a calculation method with a Monte Carlo simulation to estimate the distribution of dose equivalent in the body as a first step toward routine risk assessment and an epidemiological study of carbon-ion radiotherapy at NIRS. This method has the advantage of being verifiable by the measurement.

Active hydrothermal and non-active massive sulfide mound investigation using a new multiparameter chemical sensor

NASA Astrophysics Data System (ADS)

Han, C.; Wu, G.; Qin, H.; Wang, Z.

2012-12-01

Investigation of active hydrothermal mound as well as non-active massive sulfide mound are studied recently. However, there is still lack of in-situ detection method for the non-active massive sulfide mound. Even though Transient ElectroMagnetic (TEM) and Electric Self-potential (SP) methods are good, they both are labour, time and money cost work. We proposed a new multiparameter chemical sensor method to study the seafloor active hydrothermal mound as well as non-active massive sulfide mound. This sensor integrates Eh, S2- ions concentration and pH electrochemical electrodes together, and could found chemical change caused by the active hydrothermal vent, even weak chemical abnormalities by non-active massive sulfide hydrothermal mound which MARP and CTD sometimes cannot detect. In 2012, the 1st Leg of the Chinese 26th cruise, the multiparameter chemical sensor was carried out with the deepsea camera system over the Carlsberg Ridge in Indian Ocean by R/V DAYANGYIHAO. It was shown small Eh and S2- ions concentration abnormal around a site at Northwest Indian ridge. This site was also evidenced by the TV grab. In the 2nd Leg of the same cruise in June, this chemical sensor was carried out with TEM and SP survey system. The chemical abnormalities are matched very well with both TEM and SP survey results. The results show that the multiparameter chemical sensor method not only can detect active hydrothermal mound, but also can find the non-active massive sulfide hydrothermal mound.

Mesoporous activated carbon from corn stalk core for lithium ion batteries

NASA Astrophysics Data System (ADS)

Li, Yi; Li, Chun; Qi, Hui; Yu, Kaifeng; Liang, Ce

2018-04-01

A novel mesoporous activated carbon (AC) derived from corn stalk core is prepared via a facile and effective method which including the decomposition and carbonization of corn stalk core under an inert gas atmosphere and further activation process with KOH solution. The mesoporous activated carbon (AC) is characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Brunauer-Emmett-Teller (BET) measurements. These biomass waste derived from activated carbon is proved to be promising anode materials for high specific capacity lithium ion batteries. The activated carbon anode possesses excellent reversible capacity of 504 mAh g-1 after 100 cycles at 0.2C. Compared with the unactivated carbon (UAC), the electrochemical performance of activated carbon is significantly improved due to its mesoporous structure.

Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory

NASA Astrophysics Data System (ADS)

Black, Joshua A.; Knowles, Peter J.

2018-06-01

The performance of quasi-variational coupled-cluster (QV) theory applied to the calculation of activation and reaction energies has been investigated. A statistical analysis of results obtained for six different sets of reactions has been carried out, and the results have been compared to those from standard single-reference methods. In general, the QV methods lead to increased activation energies and larger absolute reaction energies compared to those obtained with traditional coupled-cluster theory.

Soluble fluoride levels in drinking water-a major risk factor of dental fluorosis among children in Bongo community of Ghana.

PubMed

Firempong, Ck; Nsiah, K; Awunyo-Vitor, D; Dongsogo, J

2013-03-01

The purpose of the study was to investigate the relationship between fluoride ions in drinking water and the incidence of dental fluorosis in some endemic areas of Bongo District, Ghana. Two hundred children were randomly selected from various homes and taken through a questionnaire. Their teeth were examined for the detection of dental fluorosis using the Dean's specific index. Samples of their permanent sources of water were taken for the determination of soluble fluoride levels by SPADNS spectrophotometric method. The study revealed that the incidence of dental fluorosis among the children in the main Bongo township was 63.0%, whereas villages outside the township recorded less than 10.0%. The respondents from the various communities had similar age group, educational background, sources of drinking water, oral hygiene habits and usage of oral health products, p-value > 0.05. However, there were statistically significant differences in the cases of dental fluorosis and fluoride ions among the communities, p-value < 0.05. The fluoride ion concentration in the Bongo township was above the WHO requirement of 1.50 ppm, whereas the nearby villages showed acceptable fluoride levels. Statistically, there was no significant relationship between the presence of dental fluorosis and the other characteristics, except the age group and fluoride ion concentration of the area. These findings strongly support the association between the dental fluorosis and the high fluoride levels in the underground water of Bongo community. Therefore, policy makers need to consider an alternative source of drinking water for the area.

A STATISTICAL STUDY OF THE SOLAR WIND TURBULENCE AT ION KINETIC SCALES USING THE K-FILTERING TECHNIQUE AND CLUSTER DATA

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

Roberts, O. W.; Li, X.; Jeska, L., E-mail: o.wyn.roberts@gmail.com, E-mail: xxl@aber.ac.uk

2015-03-20

Plasma turbulence at ion kinetic scales in the solar wind is investigated using the multi-point magnetometer data from the Cluster spacecraft. By applying the k-filtering method, we are able to estimate the full three-dimensional power spectral density P(ω{sub sc}, k) at a certain spacecraft frequency ω{sub sc} in wavevector (k) space. By using the wavevector at the maximum power in P(ω{sub sc}, k) at each sampling frequency ω{sub sc} and the Doppler shifted frequency ω{sub pla} in the solar wind frame, the dispersion plot ω{sub pla} = ω{sub pla}(k) is found. Previous studies have been limited to very few intervalsmore » and have been hampered by large errors, which motivates a statistical study of 52 intervals of solar wind. We find that the turbulence is predominantly highly oblique to the magnetic field k >> k {sub ∥}, and propagates slowly in the plasma frame with most points having frequencies smaller than the proton gyrofrequency ω{sub pla} < Ω{sub p}. Weak agreement is found that turbulence at the ion kinetic scales consists of kinetic Alfvén waves and coherent structures advected with plasma bulk velocity plus some minor more compressible components. The results suggest that anti-sunward and sunward propagating magnetic fluctuations are of similar nature in both the fast and slow solar wind at ion kinetic scales. The fast wind has significantly more anti-sunward flux than sunward flux and the slow wind appears to be more balanced.« less

Dynamic filtration and static adsorption of lead ions in aqueous solution by use of blended polysulfone membranes with nano size MCM-41 particles coated by polyaniline.

PubMed

Toosi, Mohammad Reza; Emami, Mohammad Reza Sarmasti; Hajian, Sudeh

2018-05-11

MCM-41 mesopore was prepared by hydrothermal method and used for synthesis of polyaniline/MCM-41 nanocomposite via in situ polymerization. The nanocomposite was blended with polysulfone to prepare mixed matrix membrane in different content of nanocomposite by phase inversion method. Structural and surface properties of the samples were characterized by SEM, XRD, FTIR, AFM, TGA, BET, and zeta potential measurements. Effect of the nanocomposite content on the hydrophilicity, porosity, and permeability of the membrane was determined. Membrane performance was evaluated for removal of lead ions in dynamic filtration and static adsorption. The membranes were found as effective adsorptive filters for removal of lead ions via interactions between active sites of nanocomposite in membrane structure and lead ions during filtration. Results of batch experiments proved adsorptive mechanism of membranes for removal of lead ions with the maximum adsorption capacity of 19.6 mg/g.

Pb(II) adsorption by a novel activated carbon - alginate composite material. A kinetic and equilibrium study.

PubMed

Cataldo, Salvatore; Gianguzza, Antonio; Milea, Demetrio; Muratore, Nicola; Pettignano, Alberto

2016-11-01

The adsorption capacity of an activated carbon - calcium alginate composite material (ACAA-Ca) has been tested with the aim of developing a new and more efficient adsorbent material to remove Pb(II) ion from aqueous solution. The study was carried out at pH=5, in NaCl medium and in the ionic strength range 0.1-0.75molL -1 . Differential Pulse Anodic Stripping Voltammetry (DP-ASV) technique was used to check the amount of Pb(II) ion removed during kinetic and equilibrium experiments. Different kinetic (pseudo first order, pseudo second order and Vermuelen) and equilibrium (Langmuir and Freundlich) models were used to fit experimental data, and were statistically compared. Calcium alginate (AA-Ca) improves the adsorption capacity (q m ) of active carbon (AC) in the ACAA-Ca adsorbent material (e.g., q m =15.7 and 10.5mgg -1 at I=0.25molL -1 , for ACAA-Ca and AC, respectively). SEM-EDX and thermogravimetric (TGA) measurements were carried out in order to characterize the composite material. The results of the speciation study on the Pb(II) solution and of the characterization of the ACAA-Ca and of the pristine AA-Ca and AC were evaluated in order to explain the specific contribution of AC and AA-Ca to the adsorption of the metal ion. Copyright © 2016 Elsevier B.V. All rights reserved.

Electronegative nonlinear oscillating modes in plasmas

NASA Astrophysics Data System (ADS)

Panguetna, Chérif Souleman; Tabi, Conrad Bertrand; Kofané, Timoléon Crépin

2018-02-01

The emergence of nonlinear modulated waves is addressed in an unmagnetized electronegative plasma made of Boltzmann electrons, Boltzmann negative ions and cold mobile positive ions. The reductive perturbation method is used to reduce the dynamics of the whole system to a cubic nonlinear Schrödinger equation, whose the nonlinear and dispersion coefficients, P and Q, are function of the negative ion parameters, namely the negative ion concentration ratio (α) and the electron-to-negative ion temperature ratio (σn). It is observed that these parameters importantly affect the formation of modulated ion-acoustic waves, either as exact solutions or via the activation of modulational instability. Especially, the theory of modulational instability is used to show the correlation between the parametric analysis and the formation of modulated solitons, obtained here as bright envelopes and kink-wave solitons.

Adsorption of ammonium ion by coconut shell-activated carbon from aqueous solution: kinetic, isotherm, and thermodynamic studies.

PubMed

Boopathy, Ramasamy; Karthikeyan, Sekar; Mandal, Asit Baran; Sekaran, Ganesan

2013-01-01

Ammonium ions are one of the most encountered nitrogen species in polluted water bodies. High level of ammonium ion in aqueous solution imparts unpleasant taste and odor problems, which can interfere with the life of aquatics and human population when discharged. Many chemical methods are developed and being used for removal of ammonium ion from aqueous solution. Among various techniques, adsorption was found to be the most feasible and environmentally friendly with the use of natural-activated adsorbents. Hence, in this study, coconut shell-activated carbon (CSAC) was prepared and used for the removal of ammonium ion by adsorption techniques. Ammonium chloride (analytical grade) was purchased from Merck Chemicals for adsorption studies. The CSAC was used to adsorb ammonium ions under stirring at 100 rpm, using orbital shaker in batch experiments. The concentration of ammonium ion was estimated by ammonia distillate, using a Buchi distillation unit. The influence of process parameters such as pH, temperature, and contact time was studied for adsorption of ammonium ion, and kinetic, isotherm models were validated to understand the mechanism of adsorption of ammonium ion by CSAC. Thermodynamic properties such as ∆G, ∆H, and ∆S were determined for the ammonium adsorption, using van't Hoff equation. Further, the adsorption of ammonium ion was confirmed through instrumental analyses such as SEM, XRD, and FTIR. The optimum conditions for the effective adsorption of ammonium ion onto CSAC were found to be pH 9.0, temperature 283 K, and contact time 120 min. The experimental data was best followed by pseudosecond order equation, and the adsorption isotherm model obeyed the Freundlich isotherm. This explains the ammonium ion adsorption onto CSAC which was a multilayer adsorption with intraparticle diffusion. Negative enthalpy confirmed that this adsorption process was exothermic. The instrumental analyses confirmed the adsorption of ammonium ion onto CSAC.

Statistical analysis of the distribution of chromosome aberrations in human lymphocytes induced by low and high energy heavy ions

NASA Astrophysics Data System (ADS)

Deperas-Standylo, Joanna; Lee, Ryonfa; Nasonova, Elena; Ritter, Sylvia; Gudowska-Nowak, Ewa; Kac, M.; Smoluchowski, M.

Differences in the track structure of high LET (Linear Energy Transfer) particles are clearly visible on chromosomal level, in particular in the number of lesions produced by an ion traversal through a cell nucleus and in the distribution of aberrations among the cells. In the present study we focus on the effects of low energy C-and Cr-ions (<10 MeV/u) in comparison with high energy C-ions (90 MeV/u). For the experiments human lymphocytes were exposed to 9.5 MeV/u C-ions, 4.1 MeV/u Cr-ions or 90 MeV/u C-ions with LET values of 175 keV/µm, 3160 keV/µm and 29 keV/µm, respectively. Chromosome aberrations were measured at several post-irradiation sampling times (48, 60, 72 and 84h) in first cycle metaphases following Giemsa-staining. For 90 MeV/u C-ions, where the track radius is larger than the cell nucleus, the distribution of aberrations did not change significantly with sampling time and has been well described by Poisson statistics. In contrast, for low energy C-ions, where the track radius is smaller than the cell nucleus, distribution of aberration strongly deviates from uni-modal and displays two peaks representative for subpopulations of non-hit and hit cells, respectively. Following this pattern, also damage-dependent cell cycle delay was observed. At 48 h after irradiation a high number of undamaged and probably unhit cells was found to reach mitosis. This number of undamaged cells decreased further with sampling time, while the frequencies of cells carrying aberrations (1-11 per cell) were increasing. All distributions were found to conform a compound Poisson (Neyman-type A) statistics which allows estimating the average number of particle traversals through a cell nucleus and the average number of aberrations induced by one particle traversal. Similar response has also been observed at 48h after Cr-ion exposure. In this case, however, non-aberrant cells have been found to dominate in the population even at later sampling times and a low number of heavily damaged cells up to 24 aberrations have been detected. Accordingly, the distribution of aberrations in cells collected at >48 h could not be then described by a standard Neyman statistics. Obtained results suggest that most cells hit by more than one Cr-ion do not reach mitosis. This observation was confirmed by parallel measurements showing that Cr-ion exposure produces a high fraction of apoptotic cells.

Synthesis, crystal structure and spectroscopy properties of Na 3AZr(PO 4) 3 ( A=Mg, Ni) and Li 2.6Na 0.4NiZr(PO 4) 3 phosphates

NASA Astrophysics Data System (ADS)

Chakir, M.; El Jazouli, A.; de Waal, D.

2006-06-01

Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates were prepared at 750 °C by coprecipitation route. Their crystal structures have been refined at room temperature from X-ray powder diffraction data using Rietveld method. Li 2.6Na 0.4NiZr(PO 4) 3 was synthesized through ion exchange from the sodium analog. These materials belong to the Nasicon-type structure. Raman spectra of Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates present broad peaks in favor of the statistical distribution in the sites around PO 4 tetrahedra. Diffuse reflectance spectra indicate the presence of octahedrally coordinated Ni 2+ ions.

Sensory Transduction and Electrical Signaling in Guard Cells

PubMed Central

Serrano, Elba E.; Zeiger, Eduardo

1989-01-01

Guard cells are a valuable model system for the study of photoreception, ion transport, and osmoregulation in plant cells. Changes in stomatal apertures occur when sensing mechanisms within the guard cells transduce environmental stimull into the ion fluxes and biosynthesis of organic solutes that regulate turgor. The electrical events mediating sensory transduction in guard cells can be characterized with a variety of electrophysiological recording techniques. Recent experiments applying the patch clamp method to guard cell protoplasts have demonstrated activation of electrogenic pumps by blue and red light as well as the presence of potassium channels in guard cell plasmalemma. Light activation of electrogenic proton pumping and the ensuing gating of voltage-dependent ion channels appear to be components of sensory transduction of the stomatal response to light. Mechanisms underlying stomatal control by environmental signals can be understood by studying electrical events associated with ion transport. PMID:16667138

Real space mapping of ionic diffusion and electrochemical activity in energy storage and conversion materials

DOEpatents

Kalinin, Sergei V; Balke, Nina; Kumar, Amit; Dudney, Nancy J; Jesse, Stephen

2014-05-06

A method and system for probing mobile ion diffusivity and electrochemical reactivity on a nanometer length scale of a free electrochemically active surface includes a control module that biases the surface of the material. An electrical excitation signal is applied to the material and induces the movement of mobile ions. An SPM probe in contact with the surface of the material detects the displacement of mobile ions at the surface of the material. A detector measures an electromechanical strain response at the surface of the material based on the movement and reactions of the mobile ions. The use of an SPM tip to detect local deformations allows highly reproducible measurements in an ambient environment without visible changes in surface structure. The measurements illustrate effective spatial resolution comparable with defect spacing and well below characteristic grain sizes of the material.

Metrological assessment of the methods for measuring the contents of acids and ion metals responsible for the exchangeable acidity of soils

NASA Astrophysics Data System (ADS)

Vanchikova, E. V.; Shamrikova, E. V.; Bespyatykh, N. V.; Kyz"yurova, E. V.; Kondratenok, B. M.

2015-02-01

Metrological characteristics—precision, trueness, and accuracy—of the results of measurements of the exchangeable acidity and its components by the potentiometric titration method were studied on the basis of multiple analyses of the soil samples with the examination of statistical data for the outliers and their correspondence to the normal distribution. Measurement errors were estimated. The applied method was certified by the Metrological Center of the Uralian Branch of the Russian Academy of Sciences (certificate no. 88-17641-094-2013) and included in the Federal Information Fund on Assurance of Measurements (FR 1.31.2013.16382).

A label-free fluorimetric detection of biothiols based on the oxidase-like activity of Ag+ ions

NASA Astrophysics Data System (ADS)

Li, Ru; Lei, Cuihua; Zhao, Xian-En; Gao, Yue; Gao, Han; Zhu, Shuyun; Wang, Hua

2018-01-01

In this work, a label-free and sensitive fluorimetric method has been developed for the detections of biothiols including cysteine (Cys), homocysteine (Hcy), and glutathione (GSH), based on the specific biothiol-induced inhibition of the oxidase-like activity of silver ions (Ag+). It is well established that o-phenylenediamine (OPD) can be oxidized by Ag+ ions to generate fluorescent 2,3-diaminophenazine (OPDox). The introduction of biothiols would inhibit the oxidation of OPD by Ag+ due to the strong coordination between biothiols and Ag+. The changes of fluorescence intensities obtained in the Ag+-OPD system exhibited good linear correlations in the ranges of 0.50-30.0 μM for Cys, 1.0-45.0 μM for Hcy and 0.50-40.0 μM for GSH. The detection limits (S/N = 3) of Cys, Hcy and GSH were 110 nM, 200 nM and 150 nM, respectively. Subsequently, the developed fluorimetric method was successfully applied for the detection of biothiols in human serum.

Visualization and quantification of transmembrane ion transport into giant unilamellar vesicles.

PubMed

Valkenier, Hennie; López Mora, Néstor; Kros, Alexander; Davis, Anthony P

2015-02-09

Transmembrane ion transporters (ionophores) are widely investigated as supramolecular agents with potential for biological activity. Tests are usually performed in synthetic membranes that are assembled into large unilamellar vesicles (LUVs). However transport must be followed through bulk properties of the vesicle suspension, because LUVs are too small for individual study. An alternative approach is described whereby ion transport can be revealed and quantified through direct observation. The method employs giant unilamellar vesicles (GUVs), which are 20-60 μm in diameter and readily imaged by light microscopy. This allows characterization of individual GUVs containing transporter molecules, followed by studies of transport through fluorescence emission from encapsulated indicators. The method provides new levels of certainty and relevance, given that the GUVs are similar in size to living cells. It has been demonstrated using a highly active anion carrier, and should aid the development of compounds for treating channelopathies such as cystic fibrosis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of activated carbon and oxidized multiwalled carbon nanotubes modified with bis(3-nitrobenzylidene)-1,2-ethanediamine for enrichment of trace amounts of some metal ions.

PubMed

Ghaedi, Mehrorang; Montazerozohori, Mortaza; Tabatabie, Maryam; Noormohamadi, Hamid; Haghighi, Alireza Borhan

2012-01-01

The efficiency of modified activated carbon (AC) and multiwalled carbon nanotubes (MWCNTs) for the separation/preconcentration and determination of Co, Cd, Pb, Zn, and Cu following their complexation by bis(3-nitrobenzylidene)-1,2-ethanediamine has been described and compared. A one-at-a-time optimization method investigated the influence of various parameters that significantly influence the recoveries of the studied metal ions. At the optimum values of all variables, the response was linear over the range of 0.01-0.3 microg/mL, and detection limit (3 SDb/m, n = 10) was between 1.41-2.05 ng/mL for both sorbents while the preconcentration factor was 100 for AC and 500 for MWCNTs. The method was successfully applied for preconcentration and determination of trace amount of the aforementioned ions in various real samples such as orange, lettuce, bread, and pear.

Automation of experiments at Dubna Gas-Filled Recoil Separator

NASA Astrophysics Data System (ADS)

Tsyganov, Yu. S.

2016-01-01

Approaches to solving the problems of automation of basic processes in long-term experiments in heavy ion beams of the Dubna Gas-Filled Recoil Separator (DGFRS) facility are considered. Approaches in the field of spectrometry, both of rare α decays of superheavy nuclei and those for constructing monitoring systems to provide accident-free experiment running with highly radioactive targets and recording basic parameters of experiment, are described. The specific features of Double Side Silicon Strip Detectors (DSSSDs) are considered, special attention is paid to the role of boundary effects of neighboring p-n transitions in the "active correlations" method. An example of an off-beam experiment attempting to observe Zeno effect is briefly considered. Basic examples for nuclear reactions of complete fusion at 48Ca ion beams of U-400 cyclotron (LNR, JINR) are given. A scenario of development of the "active correlations" method for the case of very high intensity beams of heavy ions at promising accelerators of LNR, JINR, is presented.

Statistical identification of stimulus-activated network nodes in multi-neuron voltage-sensitive dye optical recordings.

PubMed

Fathiazar, Elham; Anemuller, Jorn; Kretzberg, Jutta

2016-08-01

Voltage-Sensitive Dye (VSD) imaging is an optical imaging method that allows measuring the graded voltage changes of multiple neurons simultaneously. In neuroscience, this method is used to reveal networks of neurons involved in certain tasks. However, the recorded relative dye fluorescence changes are usually low and signals are superimposed by noise and artifacts. Therefore, establishing a reliable method to identify which cells are activated by specific stimulus conditions is the first step to identify functional networks. In this paper, we present a statistical method to identify stimulus-activated network nodes as cells, whose activities during sensory network stimulation differ significantly from the un-stimulated control condition. This method is demonstrated based on voltage-sensitive dye recordings from up to 100 neurons in a ganglion of the medicinal leech responding to tactile skin stimulation. Without relying on any prior physiological knowledge, the network nodes identified by our statistical analysis were found to match well with published cell types involved in tactile stimulus processing and to be consistent across stimulus conditions and preparations.

Evaluating fMRI methods for assessing hemispheric language dominance in healthy subjects.

PubMed

Baciu, Monica; Juphard, Alexandra; Cousin, Emilie; Bas, Jean François Le

2005-08-01

We evaluated two methods for quantifying the hemispheric language dominance in healthy subjects, by using a rhyme detection (deciding whether couple of words rhyme) and a word fluency (generating words starting with a given letter) task. One of methods called "flip method" (FM) was based on the direct statistical comparison between hemispheres' activity. The second one, the classical lateralization indices method (LIM), was based on calculating lateralization indices by taking into account the number of activated pixels within hemispheres. The main difference between methods is the statistical assessment of the inter-hemispheric difference: while FM shows if the difference between hemispheres' activity is statistically significant, LIM shows only that if there is a difference between hemispheres. The robustness of LIM and FM was assessed by calculating correlation coefficients between LIs obtained with each of these methods and manual lateralization indices MLI obtained with Edinburgh inventory. Our results showed significant correlation between LIs provided by each method and the MIL, suggesting that both methods are robust for quantifying hemispheric dominance for language in healthy subjects. In the present study we also evaluated the effect of spatial normalization, smoothing and "clustering" (NSC) on the intra-hemispheric location of activated regions and inter-hemispheric asymmetry of the activation. Our results have shown that NSC did not affect the hemispheric specialization but increased the value of the inter-hemispheric difference.

An Improved Manual Method for NOx Emission Measurement.

ERIC Educational Resources Information Center

Dee, L. A.; And Others

The current manual NO (x) sampling and analysis method was evaluated. Improved time-integrated sampling and rapid analysis methods were developed. In the new method, the sample gas is drawn through a heated bed of uniquely active, crystalline, Pb02 where NO (x) is quantitatively absorbed. Nitrate ion is later extracted with water and the…

SAPS and SAID: Differences and implications on modeling

NASA Astrophysics Data System (ADS)

Anderson, P. C.; Landry, R. G.

2017-12-01

Large subauroral electric fields/ion drifts associated with geomagnetic activity and known as Polarization Jets [Galperin et al., 1973] or subauroral ion drifts (SAID) [Spiro et al., 1978] have been reported by a number of researchers over the years starting in the early 1970s. They are latitudinally narrow ( 1 - 3°), are primarily located between the late afternoon and early morning sectors, are extended several hours in magnetic local time, and have westward drifts that can exceed 5000 m/s. Foster et al., [2002] used Millstone Hill radar data to derive a statistical model of the subauroral ion drifts and coined the term SAPS (Subauroral Polarization Streams) to identify the sometimes broad region of subauroral drifts that the SAID are embedded within. While both are located in the subauroral region and closely associated with ionospheric conductivity and the region 2 field-aligned currents, they are in reality separate phenomena. We investigate this difference, their production mechanisms, and the implications for modeling them.

Observations of Enhanced Radar Backscatter (ERB) from Millstone Hill

NASA Technical Reports Server (NTRS)

Lee, M. C.

1991-01-01

Intense enhancements of the incoherent radar backscatter spectrum from the topside ionosphere were observed with the Millstone Hill UHF radar. Enhancements occurring at the local ion acoustic frequency causing large asymmetries in the measured ion line may be produced by current driven instabilities. These enhancements pose a practical problem for space surveillance systems because their cross section and spectral width are characteristic of satellites. Conversely, their hard target signature complicates the study of naturally occurring ERB events; it is nearly impossible to distinguish them from satellites based on a single measurement. Statistical comparisons of observed coherent echo distributions with predictions from a satellite catalog were used to broadly identify periods of ERB activity. A series of experiments using multiple diagnostics, including satellite instruments, for simultaneous observations have established the association of ERB with large fluxes of soft suprathermal electrons carrying field aligned currents. Zenith data are also presented which show the asymmetric growth of ion acoustic waves directly above Millstone Hill. Details of these results are presented.

Effects of fixture rotation on coating uniformity for high-performance optical filter fabrication

NASA Astrophysics Data System (ADS)

Rubin, Binyamin; George, Jason; Singhal, Riju

2018-04-01

Coating uniformity is critical in fabricating high-performance optical filters by various vacuum deposition methods. Simple and planetary rotation systems with shadow masks are used to achieve the required uniformity [J. B. Oliver and D. Talbot, Appl. Optics 45, 13, 3097 (2006); O. Lyngnes, K. Kraus, A. Ode and T. Erguder, in `Method for Designing Coating Thickness Uniformity Shadow Masks for Deposition Systems with a Planetary Fixture', 2014 Technical Conference Proceedings, Optical Coatings, August 13, 2014, DOI: 10.14332/svc14.proc.1817.]. In this work, we discuss the effect of rotation pattern and speed on thickness uniformity in an ion beam sputter deposition system. Numerical modeling is used to determine statistical distribution of random thickness errors in coating layers. The relationship between thickness tolerance and production yield are simulated theoretically and demonstrated experimentally. Production yields for different optical filters produced in an ion beam deposition system with planetary rotation are presented. Single-wavelength and broadband optical monitoring systems were used for endpoint monitoring during filter deposition. Limitations of thickness tolerances that can be achieved in systems with planetary rotation are shown. Paths for improving production yield in an ion beam deposition system are described.

Maximizing Selective Cleavages at Aspartic Acid and Proline Residues for the Identification of Intact Proteins

NASA Astrophysics Data System (ADS)

Foreman, David J.; Dziekonski, Eric T.; McLuckey, Scott A.

2018-04-01

A new approach for the identification of intact proteins has been developed that relies on the generation of relatively few abundant products from specific cleavage sites. This strategy is intended to complement standard approaches that seek to generate many fragments relatively non-selectively. Specifically, this strategy seeks to maximize selective cleavage at aspartic acid and proline residues via collisional activation of precursor ions formed via electrospray ionization (ESI) under denaturing conditions. A statistical analysis of the SWISS-PROT database was used to predict the number of arginine residues for a given intact protein mass and predict a m/z range where the protein carries a similar charge to the number of arginine residues thereby enhancing cleavage at aspartic acid residues by limiting proton mobility. Cleavage at aspartic acid residues is predicted to be most favorable in the m/z range of 1500-2500, a range higher than that normally generated by ESI at low pH. Gas-phase proton transfer ion/ion reactions are therefore used for precursor ion concentration from relatively high charge states followed by ion isolation and subsequent generation of precursor ions within the optimal m/z range via a second proton transfer reaction step. It is shown that the majority of product ion abundance is concentrated into cleavages C-terminal to aspartic acid residues and N-terminal to proline residues for ions generated by this process. Implementation of a scoring system that weights both ion fragment type and ion fragment area demonstrated identification of standard proteins, ranging in mass from 8.5 to 29.0 kDa. [Figure not available: see fulltext.

Maximizing Selective Cleavages at Aspartic Acid and Proline Residues for the Identification of Intact Proteins.

PubMed

Foreman, David J; Dziekonski, Eric T; McLuckey, Scott A

2018-04-30

A new approach for the identification of intact proteins has been developed that relies on the generation of relatively few abundant products from specific cleavage sites. This strategy is intended to complement standard approaches that seek to generate many fragments relatively non-selectively. Specifically, this strategy seeks to maximize selective cleavage at aspartic acid and proline residues via collisional activation of precursor ions formed via electrospray ionization (ESI) under denaturing conditions. A statistical analysis of the SWISS-PROT database was used to predict the number of arginine residues for a given intact protein mass and predict a m/z range where the protein carries a similar charge to the number of arginine residues thereby enhancing cleavage at aspartic acid residues by limiting proton mobility. Cleavage at aspartic acid residues is predicted to be most favorable in the m/z range of 1500-2500, a range higher than that normally generated by ESI at low pH. Gas-phase proton transfer ion/ion reactions are therefore used for precursor ion concentration from relatively high charge states followed by ion isolation and subsequent generation of precursor ions within the optimal m/z range via a second proton transfer reaction step. It is shown that the majority of product ion abundance is concentrated into cleavages C-terminal to aspartic acid residues and N-terminal to proline residues for ions generated by this process. Implementation of a scoring system that weights both ion fragment type and ion fragment area demonstrated identification of standard proteins, ranging in mass from 8.5 to 29.0 kDa. Graphical Abstract ᅟ.

Lysozyme-immobilized electrospun PAMA/PVA and PSSA-MA/PVA ion-exchange nanofiber for wound healing.

PubMed

Tonglairoum, Prasopchai; Ngawhirunpat, Tanasait; Rojanarata, Theerasak; Opanasopit, Praneet

2014-08-27

Abstract This research was aimed to develop the lysozyme immobilized ion-exchange nanofiber mats for wound healing. To promote the healing process, the PSSA-MA/PVA and PAMA ion-exchange nanofiber mats were fabricated to mimic the extracellular matrix structure using electrospinning process followed by thermally crosslinked. Lysozyme was immobilized on the ion-exchane nanofibers by an adsorption method. The ion-exchange nanofibers were investigated using SEM, FTIR and XRPD. Moreover, the lysozyme-immobilized ion-exchange nanofibers were further investigated for lysozyme content and activity, lysozyme release and wound healing activity. The fiber diameters of the mats were in the nanometer range. Lysozyme was gradually absorbed into the PSSA-MA/PVA nanofiber with higher extend than that is absorbed on the PAMA/PVA nanofiber and exhibited higher activity than lysozyme-immobilized PAMA/PVA nanofiber. The total contents of lysozyme on the PSSA-MA/PVA and PAMA/PVA nanofiber were 648 and 166 µg/g, respectively. FTIR and lysozyme activity results confirmed the presence of lysozyme on the nanofiber mats. The lysozyme was released from the PSSA-MA/PVA and PAMA/PVA nanofiber in the same manner. The lysozyme-immobilized PSSA-MA/PVA nanofiber mats and lysozyme-immobilized PAMA/PVA nanofiber mats exhibited significantly faster healing rate than gauze and similar to the commercial antibacterial gauze dressing. These results suggest that these nanofiber mats could provide the promising candidate for wound healing application.

Production Of High Specific Activity Copper-67

DOEpatents

Jamriska, Sr., David J.; Taylor, Wayne A.; Ott, Martin A.; Fowler, Malcolm; Heaton, Richard C.

2002-12-03

A process for the selective production and isolation of high specific activity cu.sup.67 from proton-irradiated enriched Zn.sup.70 target comprises target fabrication, target irradiation with low energy (<25 MeV) protons, chemical separation of the Cu.sup.67 product from the target material and radioactive impurities of gallium, cobalt, iron, and stable aluminum via electrochemical methods or ion exchange using both anion and cation organic ion exchangers, chemical recovery of the enriched Zn.sup.70 target material, and fabrication of new targets for re-irradiation is disclosed.

Production Of High Specific Activity Copper-67

DOEpatents

Jamriska, Sr., David J.; Taylor, Wayne A.; Ott, Martin A.; Fowler, Malcolm; Heaton, Richard C.

2003-10-28

A process for the selective production and isolation of high specific activity Cu.sup.67 from proton-irradiated enriched Zn.sup.70 target comprises target fabrication, target irradiation with low energy (<25 MeV) protons, chemical separation of the Cu.sup.67 product from the target material and radioactive impurities of gallium, cobalt, iron, and stable aluminum via electrochemical methods or ion exchange using both anion and cation organic ion exchangers, chemical recovery of the enriched Zn.sup.70 target material, and fabrication of new targets for re-irradiation is disclosed.

Synthesis and luminescence characterization of Pr3+ doped Sr1.5Ca0.5SiO4 phosphor

NASA Astrophysics Data System (ADS)

Vidyadharan, Viji; Mani, Kamal P.; Sajna, M. S.; Joseph, Cyriac; Unnikrishnan, N. V.; Biju, P. R.

2014-12-01

Luminescence properties of Pr3+ activated Sr1.5Ca0.5SiO4 phosphors synthesized by solid state reaction method are reported in this work. Blue, orange red and red emissions were observed in the Pr3+ doped sample under 444 nm excitation and these emissions are assigned as 3P0 → 3H4, 3P0 → 3H6 and 3P0 → 3F4 transitions. The emission intensity shows a maximum corresponding to the 0.5 wt% Pr3+ ion. The decay analysis was done for 0.05 and 0.5 wt% Pr3+ doped samples for the transition 3P0 → 3H6. The life times of 0.05 and 0.5 wt% Pr3+ doped samples were calculated by fitting to exponential and non-exponential curve respectively, and are found to be 156 and 105 μs respectively. The non-exponential behaviour arises due to the statistical distribution of the distances between the ground state Pr3+ ions and excited state Pr3+ ions, which cause the inhomogeneous energy transfer rate. The XRD spectrum confirmed the triclinic phase of the prepared phosphors. The compositions of the samples were determined by the energy dispersive X-ray spectra. From the SEM images it is observed that the particles are agglomerated and are irregularly shaped. IR absorption bands were assigned to different vibrational modes. The well resolved peaks shown in the absorption spectra are identical to the excitation spectra of the phosphor samples. Pr3+ activated Sr1.5Ca0.5SiO4 phosphors can be efficiently excited with 444 nm irradiation and emit multicolour visible emissions. From the CIE diagram it can be seen that the prepared phosphor samples give yellowish-green emission.

Statistical Determinants of Selective Ionic Complexation: Ions in Solvent, Transport Proteins, and Other “Hosts”

PubMed Central

Bostick, David L.; Brooks, Charles L.

2009-01-01

To provide utility in understanding the molecular evolution of ion-selective biomembrane channels/transporters, globular proteins, and ionophoric compounds, as well as in guiding their modification and design, we present a statistical mechanical basis for deconstructing the impact of the coordination structure and chemistry of selective multidentate ionic complexes. The deconstruction augments familiar ideas in liquid structure theory to realize the ionic complex as an open ion-ligated system acting under the influence of an “external field” provided by the host (or surrounding medium). Using considerations derived from this basis, we show that selective complexation arises from exploitation of a particular ion's coordination preferences. These preferences derive from a balance of interactions much like that which dictates the Hofmeister effect. By analyzing the coordination-state space of small family IA and VIIA ions in simulated fluid media, we derive domains of coordinated states that confer selectivity for a given ion upon isolating and constraining particular attributes (order parameters) of a complex comprised of a given type of ligand. We demonstrate that such domains may be used to rationalize the ion-coordinated environments provided by selective ionophores and biological ion channels/transporters of known structure, and that they can serve as a means toward deriving rational design principles for ion-selective hosts. PMID:19486671

A Probabilistic Framework for Peptide and Protein Quantification from Data-Dependent and Data-Independent LC-MS Proteomics Experiments

PubMed Central

Richardson, Keith; Denny, Richard; Hughes, Chris; Skilling, John; Sikora, Jacek; Dadlez, Michał; Manteca, Angel; Jung, Hye Ryung; Jensen, Ole Nørregaard; Redeker, Virginie; Melki, Ronald; Langridge, James I.; Vissers, Johannes P.C.

2013-01-01

A probability-based quantification framework is presented for the calculation of relative peptide and protein abundance in label-free and label-dependent LC-MS proteomics data. The results are accompanied by credible intervals and regulation probabilities. The algorithm takes into account data uncertainties via Poisson statistics modified by a noise contribution that is determined automatically during an initial normalization stage. Protein quantification relies on assignments of component peptides to the acquired data. These assignments are generally of variable reliability and may not be present across all of the experiments comprising an analysis. It is also possible for a peptide to be identified to more than one protein in a given mixture. For these reasons the algorithm accepts a prior probability of peptide assignment for each intensity measurement. The model is constructed in such a way that outliers of any type can be automatically reweighted. Two discrete normalization methods can be employed. The first method is based on a user-defined subset of peptides, while the second method relies on the presence of a dominant background of endogenous peptides for which the concentration is assumed to be unaffected. Normalization is performed using the same computational and statistical procedures employed by the main quantification algorithm. The performance of the algorithm will be illustrated on example data sets, and its utility demonstrated for typical proteomics applications. The quantification algorithm supports relative protein quantification based on precursor and product ion intensities acquired by means of data-dependent methods, originating from all common isotopically-labeled approaches, as well as label-free ion intensity-based data-independent methods. PMID:22871168

Unbiased Scanning Method and Data Banking Approach Using Ultra-High Performance Liquid Chromatography Coupled with High-Resolution Mass Spectrometry for Quantitative Comparison of Metabolite Exposure in Plasma across Species Analyzed at Different Dates.

PubMed

Gao, Hongying; Deng, Shibing; Obach, R Scott

2015-12-01

An unbiased scanning methodology using ultra high-performance liquid chromatography coupled with high-resolution mass spectrometry was used to bank data and plasma samples for comparing the data generated at different dates. This method was applied to bank the data generated earlier in animal samples and then to compare the exposure to metabolites in animal versus human for safety assessment. With neither authentic standards nor prior knowledge of the identities and structures of metabolites, full scans for precursor ions and all ion fragments (AIF) were employed with a generic gradient LC method to analyze plasma samples at positive and negative polarity, respectively. In a total of 22 tested drugs and metabolites, 21 analytes were detected using this unbiased scanning method except that naproxen was not detected due to low sensitivity at negative polarity and interference at positive polarity; and 4'- or 5-hydroxy diclofenac was not separated by a generic UPLC method. Statistical analysis of the peak area ratios of the analytes versus the internal standard in five repetitive analyses over approximately 1 year demonstrated that the analysis variation was significantly different from sample instability. The confidence limits for comparing the exposure using peak area ratio of metabolites in animal plasma versus human plasma measured over approximately 1 year apart were comparable to the analysis undertaken side by side on the same days. These statistical analysis results showed it was feasible to compare data generated at different dates with neither authentic standards nor prior knowledge of the analytes.

Spectrophotometric determination of pipazethate HCl, dextromethorphan HBr and drotaverine HCl in their pharmaceutical preparations

NASA Astrophysics Data System (ADS)

Amin, Alaa S.; El-Sheikh, Ragaa; Zahran, Faten; Gouda, Ayman Abou El-fetouh

2007-07-01

A simple, accurate and highly sensitive spectrophotometric method is proposed for the rapid determination of pipazethate hydrochloride, dextromethorphan hydrobromide and drotaverine hydrochloride using chromotrope 2B (C2B) and chromotrope 2R (C2R). The method consists of extracting the formed ion-associates into chloroform in the case of pipazethate HCl and dextromethorphan HBr or into methylene chloride in the case of drotaverine HCl. The ion-associates exhibit absorption maxima at 528, 540 and 532 nm with C2B and at 526, 517 and 522 nm with C2R for pipazethate HCl, dextromethorphan HBr and drotaverine HCl, respectively. The calibration curves resulting from the measurements of absorbance-concentration relations (at the optimum reaction conditions) of the extracted ion-pairs are linear over the concentration range 4.36-52.32 μg mL -1 for pipazethate, 3.7-48.15 μg mL -1 for dextromethorphan and 4.34-60.76 μg mL -1 for drotaverine, respectively. The effect of acidity, reagent concentration, time, solvent and stoichiometric ratio of the ion-associates were estimated. The molar absorptivity and Sandell sensitivity of the reaction products were calculated. Statistical treatment of the results reflects that the procedure is precise, accurate and easily applied for the determination of the drugs under investigation in pure form and in their pharmaceutical preparations.

Polymeric brushes as functional templates for immobilizing ribonuclease A: study of binding kinetics and activity.

PubMed

Cullen, Sean P; Liu, Xiaosong; Mandel, Ian C; Himpsel, Franz J; Gopalan, Padma

2008-02-05

The ability to immobilize proteins with high binding capacities on surfaces while maintaining their activity is critical for protein microarrays and other biotechnological applications. We employed poly(acrylic acid) (PAA) brushes as templates to immobilize ribonuclease A (RNase A), which is commonly used to remove RNA from plasmid DNA preparations. The brushes are grown by surface-anchored atom-transfer radical polymerization (ATRP) initiators. RNase A was immobilized by both covalent esterification and a high binding capacity metal-ion complexation method to PAA brushes. The polymer brushes immobilized 30 times more enzyme compared to self-assembled monolayers. As the thickness of the brush increases, the surface density of the RNase A increases monotonically. The immobilization was investigated by ellipsometry, X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA), and near-edge X-ray absorption fine structure spectroscopy (NEXAFS). The activity of the immobilized RNase A was determined using UV absorbance. As much as 11.0 microg/cm(2) of RNase A was bound to PAA brushes by metal-ion complexation compared to 5.8 microg/cm(2) by covalent immobilization which is 30 and 16 times the estimated mass bound in a monolayer. The calculated diffusion coefficient D was 0.63 x 10(-14) cm(2)/s for metal-ion complexation and 0.71 x 10(-14) cm(2)/s for covalent immobilization. Similar values of D indicate that the binding kinetics is similar, but the thermodynamic equilibrium coverage varies with the binding chemistry. Immobilization kinetics and thermodynamics were characterized by ellipsometry for both methods. A maximum relative activity of 0.70-0.80 was reached between five and nine monolayers of the immobilized enzyme. However, the relative activity for covalent immobilization was greater than that of metal-ion complexation. Covalent esterification resulted in similar temperature dependence as free enzyme, whereas metal-ion complexation showed no temperature dependence indicating a significant change in conformation.

Statistical evaluation of biogeochemical variables affecting spatiotemporal distributions of multiple free metal ion concentrationsin an urban estuary

EPA Science Inventory

Free metal ion concentrations have been recognized as a better indicator of metal bioavailability in aquatic environments than total dissolved metal concentrations. However, our understanding of the determinants of free ion concentrations, especially in a metal mixture, is limite...

Fluctuations of conserved charges in relativistic heavy ion collisions: An introduction

NASA Astrophysics Data System (ADS)

Asakawa, Masayuki; Kitazawa, Masakiyo

2016-09-01

Bulk fluctuations of conserved charges measured by event-by-event analysis in relativistic heavy ion collisions are observables which are believed to carry significant amount of information on the hot medium created by the collisions. Active studies have been done recently experimentally, theoretically, and on the lattice. In particular, non-Gaussianity of the fluctuations has acquired much attention recently. In this review, we give a pedagogical introduction to these issues, and survey recent developments in this field of research. Starting from the definition of cumulants, basic concepts in fluctuation physics, such as thermal fluctuations in statistical mechanics and time evolution of fluctuations in diffusive systems, are described. Phenomena which are expected to occur in finite temperature and/or density QCD matter and their measurement by event-by-event analyses are also elucidated.

Proximate composition, total phenolic content, and antioxidant activity of seagrape (Caulerpa lentillifera).

PubMed

Nguyen, Van Tang; Ueng, Jinn-Pyng; Tsai, Guo-Jane

2011-09-01

The proximate composition of seagrape (Caulerpa lentillifera) from culture ponds in Penghu, Taiwan was analyzed. The phenolic content and the antioxidant activities including the 1,1-diphenyl-2-picryl-hydrazil (DPPH) radical scavenging activity, ferric ion-reducing activity, hydrogen peroxide scavenging activity, and ferrous ion chelating (FIC) activity of the ethanolic extracts of dry seagrape samples using 2 drying methods of freeze drying and thermal drying were compared with the ethanolic extract of Oolong tea as a reference. The contents (dry weight basis) of carbohydrate, crude protein, crude lipid, crude fiber, and ash of seagrape obtained from culture ponds in Taiwan were 64.00%, 9.26%, 1.57%, 2.97%, and 22.20%, respectively. The total phenolic content (1.30 mg gallic acid equivalent [GAE]/g dry weight) of the ethanolic extract of thermally dried seagrape was significantly lower (P < 0.05) than that (2.04 mg GAE/g dry weight) of freeze-dried seagrape, and both were significantly lower than that (13.58 mg GAE/g dry weight) of Oolong tea. At the same phenolic content, the antioxidant activities of freeze-dried seagrape were significantly higher (P < 0.05) than those of thermally dried seagrape. Compared with Oolong tea, seagrape, irrespective of drying method used, generally had strong hydrogen peroxide scavenging activity; but it was weak in DPPH radical scavenging activity, ferric ion-reducing activity, and FIC activity. The antioxidant activity of seagrape and Oolong tea was significantly influenced by their phenolic contents. The proximate composition, total phenolic content, and antioxidant activity of seagrape (Caulerpa lentillifera) in Taiwan were determined in this research to indicate nutritionally of this edible seaweed to human health, and compared these results to previous studies. © 2011 Institute of Food Technologists®

Magnetic filtration process, magnetic filtering material, and methods of forming magnetic filtering material

DOEpatents

Taboada-Serrano, Patricia; Tsouris, Constantino; Contescu, Cristian I; McFarlane, Joanna

2013-10-08

The present invention provides magnetically responsive activated carbon, and a method of forming magnetically responsive activated carbon. The method of forming magnetically responsive activated carbon typically includes providing activated carbon in a solution containing ions of ferrite forming elements, wherein at least one of the ferrite forming elements has an oxidation state of +3 and at least a second of the ferrite forming elements has an oxidation state of +2, and increasing pH of the solution to precipitate particles of ferrite that bond to the activated carbon, wherein the activated carbon having the ferrite particles bonded thereto have a positive magnetic susceptibility. The present invention also provides a method of filtering waste water using magnetic activated carbon.

Using 15N-Ammonium to Characterise and Map Potassium Binding Sites in Proteins by NMR Spectroscopy

PubMed Central

Werbeck, Nicolas D; Kirkpatrick, John; Reinstein, Jochen; Hansen, D Flemming

2014-01-01

A variety of enzymes are activated by the binding of potassium ions. The potassium binding sites of these enzymes are very specific, but ammonium ions can often replace potassium ions in vitro because of their similar ionic radii. In these cases, ammonium can be used as a proxy for potassium to characterise potassium binding sites in enzymes: the 1H,15N spin-pair of enzyme-bound 15NH4+ can be probed by 15N-edited heteronuclear NMR experiments. Here, we demonstrate the use of NMR spectroscopy to characterise binding of ammonium ions to two different enzymes: human histone deacetylase 8 (HDAC8), which is activated allosterically by potassium, and the bacterial Hsp70 homologue DnaK, for which potassium is an integral part of the active site. Ammonium activates both enzymes in a similar way to potassium, thus supporting this non-invasive approach. Furthermore, we present an approach to map the observed binding site onto the structure of HDAC8. Our method for mapping the binding site is general and does not require chemical shift assignment of the enzyme resonances. PMID:24520048

Ion-Selective Deposition of Manganese Sulphate Solution from Trenggalek Manganese Ore by Active Carbon and Sodium Hydroxide

NASA Astrophysics Data System (ADS)

Andriyah, L.; Sulistiyono, E.

2017-02-01

One of the step in manganese dioxide manufacturing process for battery industry is a purification process of lithium manganese sulphate solution. The elimination of impurities such as iron removal is important in hydrometallurgical processes. Therefore, this paper present the purification results of manganese sulphate solution by removing impurities using a selective deposition method, namely activated carbon adsorption and NaOH. The experimental results showed that the optimum condition of adsorption process occurs on the addition of 5 g adsorbent and the addition of 10 ml NaOH 1 N, processing time of 30 minutes and the best is the activated carbon adsorption of Japan. Because the absolute requirement of the cathode material of lithium ion manganese are free of titanium then of local wood charcoal is good enough in terms of eliminating ions Ti is equal to 70.88%.

On the decades-long stability of the interstellar wind through the solar system

NASA Astrophysics Data System (ADS)

Lallement, R.; Bertaux, J. L.

2014-05-01

We have revisited the series of observations recently used to infer a temporal variation in the interstellar helium flow over the past forty years. Concerning the recent IBEX-Lo direct detection of helium neutrals, there are two types of precise and unambiguous measurements that do not rely on the exact response of the instrument: the count rate maxima as a function of the spin angle, which determines the ecliptic latitude of the flow, and the count rate maxima as a function of IBEX longitude, which determines a tight relationship between the ecliptic longitude of the flow and its velocity far from the Sun. These measurements provide parameters (and couples of parameters in the second case) that are remarkably similar to the canonical, old values. In contrast, the preferred choice of a lower velocity and higher longitude reported before from IBEX data is only based on the count rate variation (at each spin phase maximum) as a function of the satellite longitude, when drifting across the region of high fluxes. We have examined the consequences of dead-time counting effects and conclude that including them at a realistic level is sufficient to reconcile the data with the old parameters, calling for further investigations. We discuss the analyses of the STEREO pickup ion data and argue that the statistical method that has been preferred to infer the neutral flow longitude (instead of the more direct method based on the pickup ion maximum flux directions) is not appropriate. Moreover, transport effects may have been significant at the very weak solar activity level of 2007-2009, in which case the longitudes of the pickup ion maxima are only upper limits on the flow longitude. Finally, we found that using some flow longitude determinations based on UV glow data is not adequate. Based on this global study, and at variance with recent conclusions, we find no evidence for a temporal variability of the interstellar helium flow. This has implications for inner and outer heliosphere studies.

Equilibrium statistical-thermal models in high-energy physics

NASA Astrophysics Data System (ADS)

Tawfik, Abdel Nasser

2014-05-01

We review some recent highlights from the applications of statistical-thermal models to different experimental measurements and lattice QCD thermodynamics that have been made during the last decade. We start with a short review of the historical milestones on the path of constructing statistical-thermal models for heavy-ion physics. We discovered that Heinz Koppe formulated in 1948, an almost complete recipe for the statistical-thermal models. In 1950, Enrico Fermi generalized this statistical approach, in which he started with a general cross-section formula and inserted into it, the simplifying assumptions about the matrix element of the interaction process that likely reflects many features of the high-energy reactions dominated by density in the phase space of final states. In 1964, Hagedorn systematically analyzed the high-energy phenomena using all tools of statistical physics and introduced the concept of limiting temperature based on the statistical bootstrap model. It turns to be quite often that many-particle systems can be studied with the help of statistical-thermal methods. The analysis of yield multiplicities in high-energy collisions gives an overwhelming evidence for the chemical equilibrium in the final state. The strange particles might be an exception, as they are suppressed at lower beam energies. However, their relative yields fulfill statistical equilibrium, as well. We review the equilibrium statistical-thermal models for particle production, fluctuations and collective flow in heavy-ion experiments. We also review their reproduction of the lattice QCD thermodynamics at vanishing and finite chemical potential. During the last decade, five conditions have been suggested to describe the universal behavior of the chemical freeze-out parameters. The higher order moments of multiplicity have been discussed. They offer deep insights about particle production and to critical fluctuations. Therefore, we use them to describe the freeze-out parameters and suggest the location of the QCD critical endpoint. Various extensions have been proposed in order to take into consideration the possible deviations of the ideal hadron gas. We highlight various types of interactions, dissipative properties and location-dependences (spatial rapidity). Furthermore, we review three models combining hadronic with partonic phases; quasi-particle model, linear sigma model with Polyakov potentials and compressible bag model.

Method for providing adhesion to a metal surface

DOEpatents

Harrah, L.A.; Allred, R.E.; Wilson, K.V. Jr.

1992-02-18

A process for treating metal surfaces to obtain improved susceptibility to bonding with adhesive compositions is disclosed. A metal surface is oxidized with a halogen to form a monolayer of halide ions on the surface. The halide ions are then exchanged with azide ions to form an azide monolayer on the metal surface. Upon contact of the treated surface with an adhesive composition, the azide layer may be thermally or photochemically decomposed to form active nitrene species, which react to bond the adhesive composition to the metal surface.

Method for providing adhesion to a metal surface

DOEpatents

Harrah, Larry A.; Allred, Ronald E.; Wilson, Jr., Kennard V.

1992-01-01

A process for treating metal surfaces to obtain improved susceptibility to bonding with adhesive compositions is disclosed. A metal surface is oxidized with a halogen to form a monolayer of halide ions on the surface. The halide ions are then exchanged with azide ions to form an azide monolayer on the metal surface. Upon contact of the treated surface with an adhesive composition, the azide layer may be thermally or photochemically decomposed to form active nitrene species, which react to bond the adhesive composition to the metal surface.

Electron removal from H and He atoms in collisions with C q+ , O q+ ions

NASA Astrophysics Data System (ADS)

Janev, R. K.; McDowell, M. R. C.

1984-06-01

Cross sections for electron capture and ionisation in collision of partially and completely stripped C q+ , N q+ and O q+ ions with hydrogen and helium atoms have been calculated at selected energies. The classical trajectory Monte Carlo method was used with a variable-charge pseudopotential to describe the interaction of the active electron with the projectile ion. A scalling relationship has been derived for the electron removal (capture and ionisation) cross section which allows a unifield representation of the data.

Calculation of NaCl, KCl and LiCl Salts Activity Coefficients in Polyethylene Glycol (PEG4000)-Water System Using Modified PHSC Equation of State, Extended Debye-Hückel Model and Pitzer Model

NASA Astrophysics Data System (ADS)

Marjani, Azam

2016-07-01

For biomolecules and cell particles purification and separation in biological engineering, besides the chromatography as mostly applied process, aqueous two-phase systems (ATPS) are of the most favorable separation processes that are worth to be investigated in thermodynamic theoretically. In recent years, thermodynamic calculation of ATPS properties has attracted much attention due to their great applications in chemical industries such as separation processes. These phase calculations of ATPS have inherent complexity due to the presence of ions and polymers in aqueous solution. In this work, for target ternary systems of polyethylene glycol (PEG4000)-salt-water, thermodynamic investigation for constituent systems with three salts (NaCl, KCl and LiCl) has been carried out as PEG is the most favorable polymer in ATPS. The modified perturbed hard sphere chain (PHSC) equation of state (EOS), extended Debye-Hückel and Pitzer models were employed for calculation of activity coefficients for the considered systems. Four additional statistical parameters were considered to ensure the consistency of correlations and introduced as objective functions in the particle swarm optimization algorithm. The results showed desirable agreement to the available experimental data, and the order of recommendation of studied models is PHSC EOS > extended Debye-Hückel > Pitzer. The concluding remark is that the all the employed models are reliable in such calculations and can be used for thermodynamic correlation/predictions; however, by using an ion-based parameter calculation method, the PHSC EOS reveals both reliability and universality of applications.

[Value influence of different compatibilities of main active parts in yangyintongnao granule on pharmacokinetics parameters in rats with cerebral ischemia reperfusion injury by total amount statistic moment method].

PubMed

Guo, Ying; Yang, Jiehong; Znang, Hengyi; Fu, Xuchun; Zhnag, Yuyan; Wan, Haitong

2010-02-01

To study the influence of the different combinations of the main active parts in Yangyintongnao granule on the pharmacokinetics parameters of the two active components--ligustrazine and puerarin using the method of total amount statistic moment for pharmacokinetics. Combinations were formed according to the dosages of the four active parts (alkaloid, flavone, saponin, naphtha) by orthogonal experiment L9 (3(4)). Blood concentrations of ligustrazine and puerarin were determinated by HPLC at different time. Zero rank moment (AUC) and one rank moment (MRT, mean residence time) of ligustrazine and puerarin have been worked out to calculate the total amount statistic moment parameters was analyzed of Yangyintongnao granule by the method of the total amount statistic moment. The influence of different compatibilities on the pharmacokinetics parameters was analyzed by orthogonal test. Flavone has the strongest effect than saponin on the total AUC. Ligustrazine has the strongest effect on the total MRT. Saponin has little effect on the two parameters, but naphtha has more effect on both of them. It indicates that naphtha may promote metabolism of ligustrazine and puerarin in rat. Total amount statistic moment parameters can be used to guide for compatibilities of TCM.

High-Field Asymmetric-Waveform Ion Mobility Spectrometry and Electron Detachment Dissociation of Isobaric Mixtures of Glycosaminoglycans

NASA Astrophysics Data System (ADS)

Kailemia, Muchena J.; Park, Melvin; Kaplan, Desmond A.; Venot, Andre; Boons, Geert-Jan; Li, Lingyun; Linhardt, Robert J.; Amster, I. Jonathan

2014-02-01

High-field asymmetric waveform ion mobility spectrometry (FAIMS) is shown to be capable of resolving isomeric and isobaric glycosaminoglycan negative ions and to have great utility for the analysis of this class of molecules when combined with Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) and tandem mass spectrometry. Electron detachment dissociation (EDD) and other ion activation methods for tandem mass spectrometry can be used to determine the sites of labile sulfate modifications and for assigning the stereochemistry of hexuronic acid residues of glycosaminoglycans (GAGs). However, mixtures with overlapping mass-to-charge values present a challenge, as their precursor species cannot be resolved by a mass analyzer prior to ion activation. FAIMS is shown to resolve two types of mass-to-charge overlaps. A mixture of chondroitin sulfate A (CSA) oligomers with 4-10 saccharides units produces ions of a single mass-to-charge by electrospray ionization, as the charge state increases in direct proportion to the degree of polymerization for these sulfated carbohydrates. FAIMS is shown to resolve the overlapping charge. A more challenging type of mass-to-charge overlap occurs for mixtures of diastereomers. FAIMS is shown to separate two sets of epimeric GAG tetramers. For the epimer pairs, the complexity of the separation is reduced when the reducing end is alkylated, suggesting that anomers are also resolved by FAIMS. The resolved components were activated by EDD and the fragment ions were analyzed by FTICR-MS. The resulting tandem mass spectra were able to distinguish the two epimers from each other.

A generalized method for high throughput in-situ experiment data analysis: An example of battery materials exploration

NASA Astrophysics Data System (ADS)

Aoun, Bachir; Yu, Cun; Fan, Longlong; Chen, Zonghai; Amine, Khalil; Ren, Yang

2015-04-01

A generalized method is introduced to extract critical information from series of ranked correlated data. The method is generally applicable to all types of spectra evolving as a function of any arbitrary parameter. This approach is based on correlation functions and statistical scedasticity formalism. Numerous challenges in analyzing high throughput experimental data can be tackled using the herein proposed method. We applied this method to understand the reactivity pathway and formation mechanism of a Li-ion battery cathode material during high temperature synthesis using in-situ high-energy X-ray diffraction. We demonstrate that Pearson's correlation function can easily unravel all major phase transition and, more importantly, the minor structural changes which cannot be revealed by conventionally inspecting the series of diffraction patterns. Furthermore, a two-dimensional (2D) reactivity pattern calculated as the scedasticity along all measured reciprocal space of all successive diffraction pattern pairs unveils clearly the structural evolution path and the active areas of interest during the synthesis. The methods described here can be readily used for on-the-fly data analysis during various in-situ operando experiments in order to quickly evaluate and optimize experimental conditions, as well as for post data analysis and large data mining where considerable amount of data hinders the feasibility of the investigation through point-by-point inspection.

A generalized method for high throughput in-situ experiment data analysis: An example of battery materials exploration

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

Aoun, Bachir; Yu, Cun; Fan, Longlong

A generalized method is introduced to extract critical information from series of ranked correlated data. The method is generally applicable to all types of spectra evolving as a function of any arbitrary parameter. This approach is based on correlation functions and statistical scedasticity formalism. Numerous challenges in analyzing high throughput experimental data can be tackled using the herein proposed method. We applied this method to understand the reactivity pathway and formation mechanism of a Li-ion battery cathode material during high temperature synthesis using in-situ highenergy X-ray diffraction. We demonstrate that Pearson's correlation function can easily unravel all major phase transitionmore » and, more importantly, the minor structural changes which cannot be revealed by conventionally inspecting the series of diffraction patterns. Furthermore, a two-dimensional (2D) reactivity pattern calculated as the scedasticity along all measured reciprocal space of all successive diffraction pattern pairs unveils clearly the structural evolution path and the active areas of interest during the synthesis. The methods described here can be readily used for on-the-fly data analysis during various in-situ operando experiments in order to quickly evaluate and optimize experimental conditions, as well as for post data analysis and large data mining where considerable amount of data hinders the feasibility of the investigation through point-by-point inspection.« less

Non-invasive monitoring of therapeutic carbon ion beams in a homogeneous phantom by tracking of secondary ions.

PubMed

Gwosch, K; Hartmann, B; Jakubek, J; Granja, C; Soukup, P; Jäkel, O; Martišíková, M

2013-06-07

Radiotherapy with narrow scanned carbon ion beams enables a highly accurate treatment of tumours while sparing the surrounding healthy tissue. Changes in the patient's geometry can alter the actual ion range in tissue and result in unfavourable changes in the dose distribution. Consequently, it is desired to verify the actual beam delivery within the patient. Real-time and non-invasive measurement methods are preferable. Currently, the only technically feasible method to monitor the delivered dose distribution within the patient is based on tissue activation measurements by means of positron emission tomography (PET). An alternative monitoring method based on tracking of prompt secondary ions leaving a patient irradiated with carbon ion beams has been previously suggested. It is expected to help in overcoming the limitations of the PET-based technique like physiological washout of the beam induced activity, low signal and to allow for real-time measurements. In this paper, measurements of secondary charged particle tracks around a head-sized homogeneous PMMA phantom irradiated with pencil-like carbon ion beams are presented. The investigated energies and beam widths are within the therapeutically used range. The aim of the study is to deduce properties of the primary beam from the distribution of the secondary charged particles. Experiments were performed at the Heidelberg Ion Beam Therapy Center, Germany. The directions of secondary charged particles emerging from the PMMA phantom were measured using an arrangement of two parallel pixelated silicon detectors (Timepix). The distribution of the registered particle tracks was analysed to deduce its dependence on clinically important beam parameters: beam range, width and position. Distinct dependencies of the secondary particle tracks on the properties of the primary carbon ion beam were observed. In the particular experimental set-up used, beam range differences of 1.3 mm were detectable. In addition, variations in the beam width could be measured with a precision of 0.9 mm. Furthermore, shifts of the lateral beam position could be monitored with a sub-millimetre precision. The presented investigations demonstrate experimentally that the non-invasive measurement and analysis of secondary ion distributions around head-sized homogeneous objects provide information on the actual beam delivery. Beam range, width and position could be monitored with a precision attractive for therapeutic situations.

Adsorption of gold ions from industrial wastewater using activated carbon derived from hard shell of apricot stones - an agricultural waste.

PubMed

Soleimani, Mansooreh; Kaghazchi, Tahereh

2008-09-01

In this study, hard shell of apricot stones was selected from agricultural solid wastes to prepare effective and low cost adsorbent for the gold separation from gold-plating wastewater. Different adsorption parameters like adsorbent dose, particle size of activated carbon, pH and agitation speed of mixing on the gold adsorption were studied. The results showed that under the optimum operating conditions, more than 98% of gold was adsorbed onto activated carbon after only 3h. The equilibrium adsorption data were well described by the Freundlich and Langmuir isotherms. Isotherms have been used to obtain thermodynamic parameters. Gold desorption studies were performed with aqueous solution mixture of sodium hydroxide and organic solvents at ambient temperatures. Quantitative recovery of gold ions is possible by this method. As hard shell of apricot stones is a discarded as waste from agricultural and food industries, the prepared activated carbon is expected to be an economical product for gold ion recovery from wastewater.

Research for preparation of cation-conducting solids by high-pressure synthesis and other methods

NASA Technical Reports Server (NTRS)

Goodenough, J. B.; Hong, H. Y. P.; Kafalas, J. A.; Dwight, K., Jr.

1975-01-01

It was shown that two body-centered-cubic skeleton structures, the Im3 KSbO3 phase and the defect-pyrochlore phase A(+)B2X6, do exhibit fast Na(+)-ion transport. The placement of anions at the tunnel intersection sites does not impede Na(+)-ion transport in (NaSb)3)(1/6 NaF), and may not in (Na(1+2x)Ta2 5F)(Ox). The activation energies are higher than those found in beta-alumina. There are two possible explanations for the higher activation energy: breathing of the bottleneck (site face or edge) through which the A(+) ions must pass on jumping from one site to another may be easier in a layer structure and/or A(+)-O bonding may be stronger in the cubic structures because the O(2-) ion bonds with two (instead of three) cations of the skeleton. If the former explanation is dominant, a lower activation energy may be achieved by optimizing the lattice parameter. If the latter is dominant, a new structural principle may have to be explored.

Understanding limiting factors in thick electrode performance as applied to high energy density Li-ion batteries

DOE PAGES

Du, Zhijia; Wood, David L.; Daniel, Claus; ...

2017-02-09

We present that increasing electrode thickness, thus increasing the volume ratio of active materials, is one effective method to enable the development of high energy density Li-ion batteries. In this study, an energy density versus power density optimization of LiNi 0.8Co 0.15Al 0.05O 2 (NCA)/graphite cell stack was conducted via mathematical modeling. The energy density was found to have a maximum point versus electrode thickness (critical thickness) at given discharging C rates. The physics-based factors that limit the energy/power density of thick electrodes were found to be increased cell polarization and underutilization of active materials. The latter is affected bymore » Li-ion diffusion in active materials and Li-ion depletion in the electrolyte phase. Based on those findings, possible approaches were derived to surmount the limiting factors. Finally, the improvement of the energy–power relationship in an 18,650 cell was used to demonstrate how to optimize the thick electrode parameters in cell engineering.« less

TMEM150C/Tentonin3 Is a Regulator of Mechano-gated Ion Channels.

PubMed

Anderson, Evan O; Schneider, Eve R; Matson, Jon D; Gracheva, Elena O; Bagriantsev, Sviatoslav N

2018-04-17

Neuronal mechano-sensitivity relies on mechano-gated ion channels, but pathways regulating their activity remain poorly understood. TMEM150C was proposed to mediate mechano-activated current in proprioceptive neurons. Here, we studied functional interaction of TMEM150C with mechano-gated ion channels from different classes (Piezo2, Piezo1, and the potassium channel TREK-1) using two independent methods of mechanical stimulation. We found that TMEM150C significantly prolongs the duration of the mechano-current produced by all three channels, decreases apparent activation threshold in Piezo2, and induces persistent current in Piezo1. We also show that TMEM150C is co-expressed with Piezo2 in trigeminal neurons, expanding its role beyond proprioceptors. Finally, we cloned TMEM150C from the trigeminal neurons of the tactile-foraging domestic duck and showed that it functions similarly to the mouse ortholog, demonstrating evolutionary conservation among vertebrates. Our studies reveal TMEM150C as a general regulator of mechano-gated ion channels from different classes. Copyright © 2018 The Author(s). Published by Elsevier Inc. All rights reserved.

Engineering catalytic activity via ion beam bombardment of catalyst supports for vertically aligned carbon nanotube growth

NASA Astrophysics Data System (ADS)

Islam, A. E.; Nikolaev, P.; Amama, P. B.; Zakharov, D.; Sargent, G.; Saber, S.; Huffman, D.; Erford, M.; Semiatin, S. L.; Stach, E. A.; Maruyama, B.

2015-09-01

Carbon nanotube growth depends on the catalytic activity of metal nanoparticles on alumina or silica supports. The control on catalytic activity is generally achieved by variations in water concentration, carbon feed, and sample placement on a few types of alumina or silica catalyst supports obtained via thin film deposition. We have recently expanded the choice of catalyst supports by engineering inactive substrates like c-cut sapphire via ion beam bombardment. The deterministic control on the structure and chemistry of catalyst supports obtained by tuning the degree of beam-induced damage have enabled better regulation of the activity of Fe catalysts only in the ion beam bombarded areas and hence enabled controllable super growth of carbon nanotubes. A wide range of surface characterization techniques were used to monitor the catalytically active surface engineered via ion beam bombardment. The proposed method offers a versatile way to control carbon nanotube growth in patterned areas and also enhances the current understanding of the growth process. With the right choice of water concentration, carbon feed and sample placement, engineered catalyst supports may extend the carbon nanotube growth yield to a level that is even higher than the ones reported here, and thus offers promising applications of carbon nanotubes in electronics, heat exchanger, and energy storage.

MO-A-213AB-11: First Experimental Test of Secondary Ion Tracking for the Assessment of Beam Range in a Patient-Like Phantom.

PubMed

Martisikova, M; Jakubek, J; Gwosch, K; Hartmann, B; Telsemeyer, J; Soukup, P; Granja, C; Pospisil, S; Jaekel, O

2012-06-01

Radiation therapy with ion beams provides highly conformal dose distributions. Therefore, monitoring the dose delivery within the patient in a non- invasive way is desired. The clinically available method based on tissue activation measurements with a PET-camera shows limitations due to the low induced activities and biological washout of the activated nuclei. The prompt production of secondary ions is supposed to be less influenced by biological processes. This contribution investigates the feasibility of beam range monitoring in a patient-like geometry containing realistic tissue inhomogeneities. The experiments were performed at the Heidelberg Ion-Beam Therapy Center in Germany using carbon ion beams of 213 and 250MeV/u. Static pencil beams (FWHM of 6mm) were applied to the skull base and brain regions of a head phantom containing real bones. The emerging secondary ions were registered by the silicon detector Timepix. It was developed by the Medipix Collaboration and provides 256×256 pixels with 55um pitch. To determine the direction of the particles, a multi-layered detector (3D voxel detector, J.Jakubek etal. JINST6 C12010) was employed. The contribution of K. Gwosch etal. addresses the performance of this method in a homogeneous phantom. In the 3D distributions of the measured secondary ions clear differences between the application of lower and higher energies were observed. This Result was achieved in both brain (homogeneous) and skull base regions (containing inhomogeneities). Differences between the energies could be observed with the detector positioned on the occipital side as well as on the facial side of the head. We performed the first experiments towards beam range monitoring in a patient-like geometry exploiting tracking of prompt secondary ions with a small detector prototype. Despite the inherent tissue inhomogeneities, we found sensitivity on the beam range in both brain and skull base. Research carried out in frame of the Medipix Collaboration. Research carried out in frame of the Medipix Collaboration. © 2012 American Association of Physicists in Medicine.

Intracellular Chloride and Scaffold Protein Mo25 Cooperatively Regulate Transepithelial Ion Transport through WNK Signaling in the Malpighian Tubule.

PubMed

Sun, Qifei; Wu, Yipin; Jonusaite, Sima; Pleinis, John M; Humphreys, John M; He, Haixia; Schellinger, Jeffrey N; Akella, Radha; Stenesen, Drew; Krämer, Helmut; Goldsmith, Elizabeth J; Rodan, Aylin R

2018-05-01

Background With No Lysine kinase (WNK) signaling regulates mammalian renal epithelial ion transport to maintain electrolyte and BP homeostasis. Our previous studies showed a conserved role for WNK in the regulation of transepithelial ion transport in the Drosophila Malpighian tubule. Methods Using in vitro assays and transgenic Drosophila lines, we examined two potential WNK regulators, chloride ion and the scaffold protein mouse protein 25 (Mo25), in the stimulation of transepithelial ion flux. Results In vitro , autophosphorylation of purified Drosophila WNK decreased as chloride concentration increased. In conditions in which tubule intracellular chloride concentration decreased from 30 to 15 mM as measured using a transgenic sensor, Drosophila WNK activity acutely increased. Drosophila WNK activity in tubules also increased or decreased when bath potassium concentration decreased or increased, respectively. However, a mutation that reduces chloride sensitivity of Drosophila WNK failed to alter transepithelial ion transport in 30 mM chloride. We, therefore, examined a role for Mo25. In in vitro kinase assays, Drosophila Mo25 enhanced the activity of the Drosophila WNK downstream kinase Fray, the fly homolog of mammalian Ste20-related proline/alanine-rich kinase (SPAK), and oxidative stress-responsive 1 protein (OSR1). Knockdown of Drosophila Mo25 in the Malpighian tubule decreased transepithelial ion flux under stimulated but not basal conditions. Finally, whereas overexpression of wild-type Drosophila WNK , with or without Drosophila Mo25 , did not affect transepithelial ion transport, Drosophila Mo25 overexpressed with chloride-insensitive Drosophila WNK increased ion flux. Conclusions Cooperative interactions between chloride and Mo25 regulate WNK signaling in a transporting renal epithelium. Copyright © 2018 by the American Society of Nephrology.

Sensitive and Selective Spectrophotometric Determination of Gabapentin in Capsules Using Two Nitrophenols as Chromogenic Agents

PubMed Central

Abdulrahman, Sameer A. M.; Basavaiah, Kanakapura

2011-01-01

Two simple and selective spectrophotometric methods have been proposed for the determination of gabapentin (GBP) in pure form and in capsules. Both methods are based on the proton transfer from the Lewis acid such as 2,4,6-trinitrophenol (picric acid; PA) or 2,4-dinitrophenol (2,4-DNP) to the primary amino group of GBP which works as Lewis base and formation of yellow ion-pair complexes. The ion-pair complexes formed show absorption maximum at 415 and 420 nm for PA and 2,4-DNP, respectively. Under the optimized experimental conditions, Beer's law is obeyed over the concentration ranges of 1.25–15.0 and 2.0–18.0 μg mL−1 GBP for PA and 2,4-DNP methods, respectively. The molar absorptivity, Sandell's sensitivity, detection and, quantification limits for both methods are also reported. The proposed methods were applied successfully to the determination of GBP in pure form and commercial capsules. Statistical comparison of the results was performed using Student's t-test and F-ratio at 95% confidence level, and there was no significant difference between the reference and proposed methods with regard to accuracy and precision. Further, the validity of the proposed methods was confirmed by recovery studies via standard addition technique. PMID:21760787

Copper ion as a new leakage tracer.

PubMed

Modaresi, J; Baharizade, M; Shareghi, A; Ahmadi, M; Daneshkazemi, A

2013-12-01

Most failures of root canal treatments are caused by bacteria. Studies showed that the most common cause of endodontic failures were the incomplete obturation of the root canal and the lack of adequate apical seal. Some in-vitro methods are used to estimate sealing quality, generally by measuring microleakage that allows the tracer agent to penetrate the filled canal. Conventional methods of evaluating the seal of endodontically treated teeth are complicated and have some drawbacks. We used copper ion diffusion method to assess the leakage and the results were compared to dye penetration method. The crowns of 21 extracted teeth were cut off at the CEJ level. After preparing the canals, the teeth were placed in tubes containing saline. They were divided randomly into 15 experimental cases; 3 positive and 3 negative controls. Positive controls were filled by single cone without sealer while the experimental and the negative control groups were filled by lateral technique. The coronal portion of gutta was removed and 9mm was left. The external surface of each tooth was coated with nail polish. Two millimeters of apical portion was immersed into 9ml of distilled water and 0.3ml of CuSO4 solution was injected into the coronal portion. After 2 days, copper sulfate was measured by an atomic absorption spectrophotometer. The teeth were then immersed in 2% methylene blue for 24 hours, sectioned and the extent of dye penetration was measured by a stereomicroscope. The maximum and minimum recorded copper ion concentrations for the experimental group were 18.37 and 2.87ppm respectively. The maximum and minimum recorded dye penetrations for the experimental group were 8.5 and 3.5mm respectively. The statistical analysis, adopting paired samples test, showed poor correlation between average recorded results of two methods. Based on our results, there was no significant correlation between the dye penetration and the copper ion diffusion methods.

Carbon Beam Radio-Therapy and Research Activities at HIMAC

NASA Astrophysics Data System (ADS)

Kanazawa, Mitsutaka

2007-05-01

Radio-therapy with carbon ion beam has been carried out since 1994 at HIMAC (Heavy Ion Medical Accelerator in Chiba) in NIRS (National Institute of Radiological Sciences). Now, many types of tumors can be treated with carbon beam with excellent local controls of the tumors. Stimulated with good clinical results, requirement of the dedicated compact facility for carbon beam radio-therapy is increased. To realize this requirement, design study of the facility and the R&D's of the key components in this design are promoted by NIRS. According successful results of these activities, the dedicated compact facility will be realized in Gunma University. In this facility, the established irradiation method is expected to use, which is passive irradiation method with wobbler magnets and ridge filter. In this presentation, above R&D's will be presented together with clinical results and basic research activities at HIMAC.

Interfacial characteristics of propylene carbonate and validation of simulation models for electrochemical applications

NASA Astrophysics Data System (ADS)

You, Xinli

Supercapacitors have occupy an indispensable role in today's energy storage systems due to their high power density and long life. The introduction of car- bon nanotube (CNT) forests as electrode offers the possibility of nano-scale design and high capacitance. We have performed molecular dynamics simulations on a CNT forest-based electrochemical double-layer capacitor (EDLC) and a widely used electrolyte solution (tetra-ethylammonium tetra-fluoroborate in propylene carbonate, TEABF4 /PC). We compare corresponding primitive model and atomically detailed model of TEABF4 /P, emphasizing the significance of ion clustering in electrolytes. The molecular dynamic simulation results suggests that the arrangement of closest neigh- bors leads to the formation of cation-anion chains or rings. Fuoss's discussion of ion-pairing model provides the approximation for a primitive model of 1-1 electrolyte is not broadly satisfactory for both primitive and atomically detailed cases. A more general Poisson statistical assumption is shown to be satisfactory when coordina- tion numbers are low, as is likely to be the case when ion-pairing initiates. We examined the Poisson-based model over a range of concentrations for both models of TEABF4 /P, and the atomically detailed model results identified solvent-separated nearest-neighbor ion-pairs. Large surface areas plays an essential role in nanomaterial properties, which calls for an accurate description of interfaces through modeling. We studied propylene carbonate, a widely used solvent in EDLC systems. PC wets graphite with a contact angle of 31°. The MD simulation model reproduced this contact angle after reduction 40% of the strength of graphite-C atom Lennard-Jones interactions with the solvent. The critical temperature of PC was accurately evaluated by extrapolating the PC liquid-vapor surface tensions. PC molecules tend to lie flat on the PC liquid-vapor surface, and project the propyl carbon toward the vapor phase. Liquid PC simulations also provide basic data for construction of accurate information to assist in device- level modeling of EDLCs. The most serious uncertainty with previous simulations of CNT based EDLCs was definition of the actual composition of the pores. Therefore, direct simulations of filling of CNT forest based electrochemical double-layer capacitors with TEABF4 /P solution was performed. Those calculation characterize the charging and discharg- ing process, including rates of charging responses, the possibility of bubble forma- tion, and kinetic properties with confinement. The mobilities of ions and solvent was investigated through mean square displacement (MSD) and velocity autocorrela- tion functions (VACF). The memory kernel was extracted from VACF by discretized linear-equation solving and a specialized Fourier transform method, results implies the existence of dielectric friction. With the interest in chemical features of EDLCs, a multi-scale theory was de- veloped to embed high resolution ab initio molecular dynamics (AIMD) methods into studies of EDLCs. This theory was based on McMillan-Mayer theory, potential dis- tribution approach, and quasi-chemical theory. The quasi-chemical theory allow us to break-up the free energies into packing, outer-shell and chemical contributions, where the last part can be done by AIMD directly. For the primitive model of TEABF4 /P, Gaussian statistical models are effective for these outer-shell contributions. And the Gaussian approximation is more efficient than the Bennett method in achieving an accurate mean activity coefficient.

Comparative serum albumin interactions and antitumor effects of Au(III) and Ga(III) ions.

PubMed

Sarioglu, Omer Faruk; Ozdemir, Ayse; Karaboduk, Kuddusi; Tekinay, Turgay

2015-01-01

In the present study, interactions of Au(III) and Ga(III) ions on human serum albumin (HSA) were studied comparatively via spectroscopic and thermal analysis methods: UV-vis absorbance spectroscopy, fluorescence spectroscopy, Fourier transform infrared (FT-IR) spectroscopy and isothermal titration calorimetry (ITC). The potential antitumor effects of these ions were studied on MCF-7 cells via Alamar blue assay. It was found that both Au(III) and Ga(III) ions can interact with HSA, however; Au(III) ions interact with HSA more favorably and with a higher affinity. FT-IR second derivative analysis results demonstrated that, high concentrations of both metal ions led to a considerable decrease in the α-helix content of HSA; while Au(III) led to around 5% of decrease in the α-helix content at 200μM, it was around 1% for Ga(III) at the same concentration. Calorimetric analysis gave the binding kinetics of metal-HSA interactions; while the binding affinity (Ka) of Au(III)-HSA binding was around 3.87×10(5)M(-1), it was around 9.68×10(3)M(-1) for Ga(III)-HSA binding. Spectroscopy studies overall suggest that both metal ions have significant effects on the chemical structure of HSA, including the secondary structure alterations. Antitumor activity studies on MCF7 tumor cell line with both metal ions revealed that, Au(III) ions have a higher antiproliferative activity compared to Ga(III) ions. Copyright © 2014 Elsevier GmbH. All rights reserved.

The preparation and antioxidant activity of glucosamine sulfate

NASA Astrophysics Data System (ADS)

Xing, Ronge; Liu, Song; Wang, Lin; Cai, Shengbao; Yu, Huahua; Feng, Jinhua; Li, Pengcheng

2009-05-01

Glucosamine sulfate was prepared from glucosamine hydrochloride that was produced by acidic hydrolysis of chitin by ion-exchange method. Optical rotation and elemental analysis characterized the degree of its purity. In addition, the antioxidant potency of chitosan derivative-glucosamine sulfate was investigated in various established in vitro systems, such as superoxide (O{2/-})/hydroxyl (·OH) radicals scavenging, reducing power, iron ion chelating. The following results are obtained: first, glucosamine sulfate had pronounced scavenging effect on superoxide radical. For example the O{2/-} scavenging activity of glucosamine sulfate was 92.11% at 0.8 mg/mL. Second, the ·OH scavenging activity of glucosamine sulfate was also strong, and was about 50% at 3.2 mg/mL. Third, the reducing power of glucosamine sulfate was more pronounced. The reducing power of glucosamine sulfate was 0.643 at 0.75 mg/mL. However, its potency for ferrous ion chelating was weak. Furthermore, except for ferrous ion chelating potency, the scavenging rate of radical and reducing power of glucosamine sulfate were concentration-dependent and increased with their increasing concentrations, but its ferrous ion chelating potency decreased with the increasing concentration. The multiple antioxidant activities of glucosamine sulfate were evidents of reducing power and superoxide/hydroxyl radicals scavenging ability. These in vitro results suggest the possibility that glucosamine sulfate could be used effectively as an ingredient in health or functional food, to alleviate oxidative stress.

Zincon-modified activated carbon for solid-phase extraction and preconcentration of trace lead and chromium from environmental samples.

PubMed

Li, Zhenhua; Chang, Xijun; Hu, Zheng; Huang, Xinping; Zou, Xiaojun; Wu, Qiong; Nie, Rong

2009-07-15

A new method that utilizes zincon-modified activated carbon (AC-ZCN) as a solid-phase extractant has been developed for simultaneous preconcentration of trace Cr(III) and Pb(II) prior to the measurement by inductively coupled plasma optical emission spectrometry (ICP-OES). The separation/preconcentration conditions of analytes were investigated, including effects of pH, the shaking time, the sample flow rate and volume, the elution condition and the interfering ions. At pH 4, the maximum adsorption capacity of Cr(III) and Pb(II) onto the AC-ZCN were 17.9 and 26.7 mg g(-1), respectively. The adsorbed metal ions were quantitatively eluted by 1 mL of 0.1 mol L(-1) HCl. Common coexisting ions did not interfere with the separation. According to the definition of IUPAC, the detection limits (3 sigma) of this method for Cr(III) and Pb(II) were 0.91 and 0.65 ng mL(-1), respectively. The relative standard deviation under optimum condition is less than 3.5% (n=8). The method has been applied for the determination of Cr(III) and Pb(II) in biological materials and water samples with satisfactory results.

Selective solid-phase extraction using oxidized activated carbon modified with triethylenetetramine for preconcentration of metal ions

NASA Astrophysics Data System (ADS)

Zhang, Li; Chang, Xijun; Li, Zhenhua; He, Qun

2010-02-01

A new selective solid-phase extractant using activated carbon as matrix which was purified, oxidized and modified by triethylenetetramine (AC-TETA) was prepared and characterized by FT-IR spectroscopy. At pH 4, quantitative extraction of trace Cr(III), Fe(III) and Pb(II) was obtained and determined by inductively coupled plasma optical emission spectrometry (ICP-OES). Complete elution of the adsorbed metal ions from the sorbent surface was carried out using 0.5 mol L -1 HCl. The maximum static adsorption capacity of sorbent for Cr(III), Fe(III) and Pb(II) was 34.6, 36.5 and 51.9 mg g -1, respectively. The time of quantitative adsorption was less than 2 min. The detection limits of the method was found to be 0.71, 0.35 and 0.45 ng mL -1 for Cr(III), Fe(III) and Pb(II), and the relative standard deviation (RSD) was 3.7%, 2.2% and 2.5%, respectively. Moreover, the method was free from interference with common coexiting ions. The method was also successfully applied to the preconcentration of trace Cr(III), Fe(III) and Pb(II) in synthetic samples and a real sample with satisfactory results.

Cliffs versus plains: Can ROSINA/COPS and OSIRIS data of comet 67P/Churyumov-Gerasimenko in autumn 2014 constrain inhomogeneous outgassing?

NASA Astrophysics Data System (ADS)

Marschall, R.; Mottola, S.; Su, C. C.; Liao, Y.; Rubin, M.; Wu, J. S.; Thomas, N.; Altwegg, K.; Sierks, H.; Ip, W.-H.; Keller, H. U.; Knollenberg, J.; Kührt, E.; Lai, I. L.; Skorov, Y.; Jorda, L.; Preusker, F.; Scholten, F.; Vincent, J.-B.; Osiris Team; Rosina Team

2017-09-01

Context. This paper describes the modelling of gas and dust data acquired in the period August to October 2014 from the European Space Agency's Rosetta spacecraft when it was in close proximity to the nucleus of comet 67P/Churyumov-Gerasimenko. Aims: With our 3D gas and dust comae models this work attempts to test the hypothesis that cliff activity on comet 67P/Churyumov-Gerasimenko can solely account for the local gas density data observed by the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) and the dust brightnesses seen by the Optical, Spectroscopic, and Infrared Remote Imaging System (OSIRIS) in the considered time span. Methods: The model uses a previously developed shape model of the nucleus. From this, the water sublimation rates and gas temperatures at the surface are computed. The gas expansion is modelled with a 3D Direct Simulation Monte Carlo algorithm. A dust drag algorithm is then used to compute dust volume number densities in the coma, which are then converted to brightnesses using Mie theory and a line-of-sight integration. Furthermore we have studied the impact of topographic re-radiation on the models. Results: We show that gas activity from only cliff areas produces a fit to the ROSINA/COPS data that is as statistically good as a purely insolation-driven model. In contrast, pure cliff activity does not reproduce the dust brightness observed by OSIRIS and can thus be ruled out. On the other hand, gas activity from the Hapi region in addition to cliff activity produces a statistically better fit to the ROSINA/COPS data than purely insolation-driven outgassing and also fits the OSIRIS observations rather well. We found that topographic re-radiation does not contribute significantly to the sublimation behaviour of H2O but plays an important role in how the gas flux interacts with the irregular shape of the nucleus. Conclusions: We demonstrate that fits to the observations are non-unique. We can conclude however that gas and dust activity from cliffs and the Hapi region are consistent with the ROSINA/COPS and OSIRIS data sets for the considered time span and are thus a plausible solution. Models with activity from low gravitational slopes alone provide a statistically inferior solution.

Step-wise pulling protocols for non-equilibrium dynamics

NASA Astrophysics Data System (ADS)

Ngo, Van Anh

The fundamental laws of thermodynamics and statistical mechanics, and the deeper understandings of quantum mechanics have been rebuilt in recent years. It is partly because of the increasing power of computing resources nowadays, that allow shedding direct insights into the connections among the thermodynamics laws, statistical nature of our world, and the concepts of quantum mechanics, which have not yet been understood. But mostly, the most important reason, also the ultimate goal, is to understand the mechanisms, statistics and dynamics of biological systems, whose prevailing non-equilibrium processes violate the fundamental laws of thermodynamics, deviate from statistical mechanics, and finally complicate quantum effects. I believe that investigations of the fundamental laws of non-equilibrium dynamics will be a frontier research for at least several more decades. One of the fundamental laws was first discovered in 1997 by Jarzynski, so-called Jarzynski's Equality. Since then, different proofs, alternative descriptions of Jarzynski's Equality, and its further developments and applications have been quickly accumulated. My understandings, developments and applications of an alternative theory on Jarzynski's Equality form the bulk of this dissertation. The core of my theory is based on stepwise pulling protocols, which provide deeper insight into how fluctuations of reaction coordinates contribute to free-energy changes along a reaction pathway. We find that the most optimal pathways, having the largest contribution to free-energy changes, follow the principle of detailed balance. This is a glimpse of why the principle of detailed balance appears so powerful for sampling the most probable statistics of events. In a further development on Jarzynski's Equality, I have been trying to use it in the formalism of diagonal entropy to propose a way to extract useful thermodynamic quantities such temperature, work and free-energy profiles from far-from-equilibrium ensembles, which can be used to characterize non-equilibrium dynamics. Furthermore, we have applied the stepwise pulling protocols and Jarzynski's Equality to investigate the ion selectivity of potassium channels via molecular dynamics simulations. The mechanism of the potassium ion selectivity has remained poorly understood for over fifty years, although a Nobel Prize was awarded to the discovery of the molecular structure of a potassium-selective channel in 2003. In one year of performing simulations, we were able to reproduce the major results of ion selectivity accumulated in fifty years. We have been even boldly going further to propose a new model for ion selectivity based on the structural rearrangement of the selectivity filter of potassium-selective KcsA channels. This structural rearrangement has never been shown to play such a pivotal role in selecting and conducting potassium ions, but effectively rejecting sodium ions. Using the stepwise pulling protocols, we are also able to estimate conductance for ion channels, which remains elusive by using other methods. In the light of ion channels, we have also investigated how a synthetic channel of telemeric G-quadruplex conducts different types of ions. These two studies on ion selectivity not only constitute an interesting part of this dissertation, but also will enable us to further explore a new set of ion-selectivity principles. Beside the focus of my dissertation, I used million-atom molecular dynamics simulations to investigate the mechanical properties of body-centered-cubic (BCCS) and face-centered-cubic (FCCS) supercrystals of DNA-functionalized gold nanoparticles. These properties are valuable for examining whether these supercrystals can be used in gene delivery and gene therapy. The formation of such ordered supercrystals is useful to protect DNAs or RNAs from being attacked and destroyed by enzymes in cells. I also performed all-atom molecular dynamics simulations to study a pure oleic acid (OA) membrane in water that results into a triple-layer structure. The simulations show that the trans-membrane movement of water and OAs is cooperative and correlated, and agrees with experimentally measured absorption rates. The simulation results support the idea that OA flip-flop is more favorable than transport by means of functional proteins. This study might provide further insight into how primitive cell membranes work, and how the interplay and correlation between water and fatty acids may occur.

Influence of 2% chlorhexidine on pH, calcium release and setting time of a resinous MTA-based root-end filling material.

PubMed

Jacinto, Rogério Castilho; Linhares-Farina, Giane; Sposito, Otávio da Silva; Zanchi, César Henrique; Cenci, Maximiliano Sérgio

2015-01-01

The addition of chlorhexidine (CHX) to a resinous experimental Mineral Trioxide Aggregate (E-MTA) based root-end filling material is an alternative to boost its antimicrobial activity. However, the influence of chlorhexidine on the properties of this material is unclear. The aim of this study was to evaluate the influence of 2% chlorhexidine on the pH, calcium ion release and setting time of a Bisphenol A Ethoxylate Dimethacrylate/Mineral Trioxide Aggregate (Bis-EMA/MTA) based dual-cure experimental root-end filling material (E-MTA), in comparison with E-MTA without the addition of CHX and with conventional white MTA (W-MTA). The materials were placed in polyethylene tubes, and immersed in deionized water to determine pH (digital pH meter) and calcium ion release (atomic absorption spectrometry technique). The setting time of each material was analyzed using Gilmore needles. The data were statistically analyzed at a significance level of 5%. E-MTA + CHX showed an alkaline pH in the 3 h period of evaluation, the alkalinity of which decreased but remained as such for 15 days. The pH of E-MTA + CHX was higher than the other two materials after 7 days, and lower after 30 days (p < 0.05). All of the materials were found to release calcium ions throughout the 30 days of the study. The addition of CHX increased the calcium ion release of E-MTA to levels statistically similar to W-MTA. E-MTA showed shorter initial and final setting time, compared with W-MTA (p < 0.05). The addition of 2% CHX to MTA prevented setting of the material. The addition of CHX to E-MTA increased its pH and calcium ion release. However, it also prevented setting of the material.

Targeting DNA repair with PNKP inhibition sensitizes radioresistant prostate cancer cells to high LET radiation

PubMed Central

Srivastava, Pallavi; Sarma, Asitikantha

2018-01-01

High linear energy transfer (LET) radiation or heavy ion such as carbon ion radiation is used as a method for advanced radiotherapy in the treatment of cancer. It has many advantages over the conventional photon based radiotherapy using Co-60 gamma or high energy X-rays from a Linear Accelerator. However, charged particle therapy is very costly. One way to reduce the cost as well as irradiation effects on normal cells is to reduce the dose of radiation by enhancing the radiation sensitivity through the use of a radiomodulator. PNKP (polynucleotide kinase/phosphatase) is an enzyme which plays important role in the non-homologous end joining (NHEJ) DNA repair pathway. It is expected that inhibition of PNKP activity may enhance the efficacy of the charged particle irradiation in the radioresistant prostate cancer cell line PC-3. To test this hypothesis, we investigated cellular radiosensitivity by clonogenic cell survival assay in PC-3 cells.12Carbon ion beam of62 MeVenergy (equivalent 5.16 MeV/nucleon) and with an entrance LET of 287 kev/μm was used for the present study. Apoptotic parameters such as nuclear fragmentation and caspase-3 activity were measured by DAPI staining, nuclear ladder assay and colorimetric caspase-3method. Cell cycle arrest was determined by FACS analysis. Cell death was enhanced when carbon ion irradiation is combined with PNKPi (PNKP inhibitor) to treat cells as compared to that seen for PNKPi untreated cells. A low concentration (10μM) of PNKPi effectively radiosensitized the PC-3 cells in terms of reduction of dose in achieving the same survival fraction. PC-3 cells underwent significant apoptosis and cell cycle arrest too was enhanced at G2/M phase when carbon ion irradiation was combined with PNKPi treatment. Our findings suggest that combined treatment of carbon ion irradiation and PNKP inhibition could enhance cellular radiosensitivity in a radioresistant prostate cancer cell line PC-3. The synergistic effect of PNKPi and carbon ion irradiation could be used as a promising method for carbon-ion therapy in radioresistant cells. PMID:29320576

Processes for making dense, spherical active materials for lithium-ion cells

DOEpatents

Kang, Sun-Ho [Naperville, IL; Amine, Khalil [Downers Grove, IL

2011-11-22

Processes are provided for making dense, spherical mixed-metal carbonate or phosphate precursors that are particularly well suited for the production of active materials for electrochemical devices such as lithium ion secondary batteries. Exemplified methods include precipitating dense, spherical particles of metal carbonates or metal phosphates from a combined aqueous solution using a precipitating agent such as ammonium hydrogen carbonate, sodium hydrogen carbonate, or a mixture that includes sodium hydrogen carbonate. Other exemplified methods include precipitating dense, spherical particles of metal phosphates using a precipitating agent such as ammonium hydrogen phosphate, ammonium dihydrogen phosphate, sodium phosphate, sodium hydrogen phosphate, sodium dihydrogen phosphate, or a mixture of any two or more thereof. Further provided are compositions of and methods of making dense, spherical metal oxides and metal phosphates using the dense, spherical metal precursors. Still further provided are electrodes and batteries using the same.

Helium ion beam imaging for image guided ion radiotherapy.

PubMed

Martišíková, M; Gehrke, T; Berke, S; Aricò, G; Jäkel, O

2018-06-14

Ion beam radiotherapy provides potential for increased dose conformation to the target volume. To translate it into a clinical advantage, it is necessary to guarantee a precise alignment of the actual internal patient geometry with the treatment beam. This is in particular challenging for inter- and intrafractional variations, including movement. Ion beams have the potential for a high sensitivity imaging of the patient geometry. However, the research on suitable imaging methods is not conclusive yet. Here we summarize the research activities within the "Clinical research group heavy ion therapy" funded by the DFG (KFO214). Our aim was to develop a method for the visualization of a 1 mm thickness difference with a spatial resolution of about 1 mm at clinically applicable doses. We designed and built a dedicated system prototype for ion radiography using exclusively the pixelated semiconductor technology Timepix developed at CERN. Helium ions were chosen as imaging radiation due to their decreased scattering in comparison to protons, and lower damaging potential compared to carbon ions. The data acquisition procedure and a dedicated information processing algorithm were established. The performance of the method was evaluated at the ion beam therapy facility HIT in Germany with geometrical phantoms. The quality of the images was quantified by contrast-to-noise ratio (CNR) and spatial resolution (SR) considering the imaging dose. Using the unique method for single ion identification, degradation of the images due to the inherent contamination of the outgoing beam with light secondary fragments (hydrogen) was avoided. We demonstrated experimentally that the developed data processing increases the CNR by 350%. Consideration of the measured ion track directions improved the SR by 150%. Compared to proton radiographs at the same dose, helium radiographs exhibited 50% higher SR (0.56 ± 0.04lp/mm vs. 0.37 ± 0.02lp/mm) at a comparable CNR in the middle of the phantom. The clear visualization of the aimed inhomogeneity at a diagnostic dose level demonstrates a resolution of 0.1 g/cm 2 or 0.6% in terms of water-equivalent thickness. We developed a dedicated method for helium ion radiography, based exclusively on pixelated semiconductor detectors. The achievement of a clinically desired image quality in simple phantoms at diagnostic dose levels was demonstrated experimentally.

Predicting Acquisition of Learning Outcomes: A Comparison of Traditional and Activity-Based Instruction in an Introductory Statistics Course.

ERIC Educational Resources Information Center

Geske, Jenenne A.; Mickelson, William T.; Bandalos, Deborah L.; Jonson, Jessica; Smith, Russell W.

The bulk of experimental research related to reforms in the teaching of statistics concentrates on the effects of alternative teaching methods on statistics achievement. This study expands on that research by including an examination of the effects of instructor and the interaction between instructor and method on achievement as well as attitudes,…

Mapping Ion and Electron Remagnetization Distance in the Reconnection Outflow Exhaust Region with MMS

NASA Astrophysics Data System (ADS)

Sturner, A. P.; Eriksson, S.; Gershman, D. J.; Plaschke, F.; Burch, J.

2017-12-01

Magnetopause current sheets have been fertile ground for understanding kinetic-scale physics of magnetic reconnection, but can also be used to study more macroscopic scale phenomena statistically. Post-reconnection, magnetic flux and plasma are accelerated away from the x-line into exhaust regions. As the exhausting plasma exits the electron diffusion region, electrons become remagnetized and are accelerated by the magnetic field into an E x B jet while the ions remain unmagnetized. Further along the exhaust, at the edge of the ion diffusion region, the ions become frozen into the magnetic field, and are accelerated to join the electrons in the exhaust jet. By assuming a constant reconnection rate of 0.1, we can infer the distance to the x-line from the normal width of the exhaust. We present a statistical study using the Magnetospheric Multiscale Mission (MMS) to map out the electron and ion remagnetization distances that define the edge of the electron and ion diffusion regions for magnetopause reconnection, and explore the effects of a guide magnetic field.

Experimental investigation of possible geomagnetic feedback from energetic (0.1 to 16 keV) terrestrial O(+) ions in the magnetotail current sheet

NASA Technical Reports Server (NTRS)

Lennartsson, O. W.; Klumpar, D. M.; Shelley, E. G.; Quinn, J. M.

1993-01-01

Data from energetic ion mass spectrometers on the International Sun Earth Explorer 1 (ISEE 1) and AMPTE/CCE spacecraft are combined with geomagnetic and solar indices to investigate, in a statistical fashion, whether energized O(+) ions of terrestrial origin constitute a source of feedback which triggers or amplifies geomagnetic magnetotail current sheet. The ISSE 1 data (0.1-16 keV/e) provide in situ observations of the O(+) solar cycle 21, as well as inner magnetosphere data from same period. The CCE data (0.1-17 keV/e), taken during the subsequent solar minimum, all within 9 R(sub E), provide a reference for long-term variations in the magnetosphere O(+) content. Statistical correlations between the ion data and the indices, and between different indices, all point in the same direction: there is probably no feedback specific to the O(+) ions, in spite of the fact that they often contribute most of the ion mass density in the tail current sheet.

An observational study of the relationship between precipitating ions and ENAs emerging from the ion/atmosphere interaction region

NASA Astrophysics Data System (ADS)

Mackler, David A.

Plasmasheet particles transported Earthward during times of active magnetospheric convection can interact with thermospheric neutrals through charge exchange. The resulting Energetic Neutral Atoms (ENAs) are free to leave the influence of the magnetosphere and can be remotely detected. ENAs associated with low altitude (300--800 km) ion precipitation in the high latitude atmosphere/ionosphere are termed Low Altitude Emissions (LAEs). Remotely observed LAEs are highly non-isotropic in velocity space such that the pitch angle distribution at the time of charge exchange is near 90 degrees. The Geomagnetic Emission Cone (GEC) of LAEs can be mapped spatially, showing where proton energy is deposited during times of varying geomagnetic activity. In this study we present a statistical look at the correlation between LAE flux (intensity and location) and geomagnetic activity as well as comparisons of LAE signatures with in situ ion precipitation. The LAE data is from the MENA imager on the IMAGE satellite over the declining phase of solar cycle 23 (2000--2005). The SYM-H, AE, and Kp indices are used to describe geomagnetic activity. The in situ data is from the Defense Meteorological Satellite Program (DMSP). The goal of the study is to evaluate properties of LAEs in ENA images and determine if those images can be used to infer properties of ion precipitation. Results indicate a general positive correlation to LAE flux for all three indices, with the SYM-H showing the greatest non-linearity. The MLT distribution of LAEs are centered about midnight and spread with increasing activity. The Invariant Latitude for all indices has a slightly negative correlation. The combined results indicate that both LAE and DMSP data behave similarly to geomagnetic activity. LAEs are more spread out in latitude, possibly due to multiple charge exchange interactions, while the in situ data changes to lower latitudes dramatically with increasing flux. The bulk of the data indicates that the LAE latitude region is lower than that of the precipitating ions. The local time coverage of the DMSP constellation during the time of MENA is too limited to infer much information. The ratio of the fluxes (DMSP/LAE) is roughly constant over storm time parameters (LOG[-SYM-H]/Slope/Phase), with the possible exception of favoring Low Altitude Emissions at higher flux and lower latitudes. This may indicate that the change in flux intensity may respond equally between the two.

Removal of some metal ions by activated carbon prepared from Phaseolus aureus hulls.

PubMed

Rao, M Madhava; Ramana, D K; Seshaiah, K; Wang, M C; Chien, S W Chang

2009-07-30

Removal of lead [Pb(II)], zinc [Zn(II)], copper [Cu(II)], and cadmium [Cd(II)] from aqueous solutions using activated carbon prepared from Phaseolus aureus hulls (ACPAH), an agricultural waste was studied. The influence of various parameters such as effect of pH, contact time, adsorbent dose, and initial concentration of metal ions on the removal was evaluated by batch method. The removal of metal ions by ACPAH was pH dependent and the optimum pH values were 7.0, 8.0, 7.0 and 6.0 for Cu(II), Cd(II), Zn(II), and Pb(II), respectively. The sorption isotherms were studied using Langmuir, Freundlich, Dubinin-Radushkevich (D-R), and Temkin isotherm models. The maximum adsorption capacity values of ACPAH for metal ions were 21.8 mg g(-1) for Pb(II), 21.2 mg g(-1) for Zn(II), 19.5 mg g(-1) for Cu(II), and 15.7 mg g(-1) for Cd(II). The experiments demonstrated that the removal of metal ions followed the pseudo-second-order kinetic model. Desorption experiments were carried out using HCl solution with a view to regenerate the spent adsorbent and to recover the adsorbed metal ions.

Breeding of D(-)-lactic acid high producing strain by low-energy ion implantation and preliminary analysis of related metabolism.

PubMed

Xu, Ting-Ting; Bai, Zhong-Zhong; Wang, Li-Juan; He, Bing-Fang

2010-01-01

The low-energy nitrogen ion beam implantation technique was used in the breeding of mutant D(-)-lactic-acid-producing strains. The wild strain Sporolactobacillus sp. DX12 was mutated by an N(+) ion beam with energy of 10keV and doses ranging from 0.4 x 10(15) to 6.60 x 10(15) ions/cm(2). Combined with an efficient screening method, an efficient mutant Y2-8 was selected after two times N(+) ion beam implantation. By using the mutant Y2-8, 121.6g/l of D-lactic acid was produced with the molar yields of 162.1% to the glucose. The yield of D-lactic acid by strain Y2-8 was 198.8% higher than the wild strain. Determination of anaerobic metabolism by Biolog MT2 was used to analyze the activities of the concerned enzymes in the lactic acid metabolic pathway. The results showed that the activities of the key enzymes responded on the substrates such as 6-phosphofructokinase, pyruvate kinase, and D-lactate dehydrogenase were considerably higher in the mutants than the wild strain. These might be affected by ion beam implantation.

Elucidating distinct ion channel populations on the surface of hippocampal neurons via single-particle tracking recurrence analysis

NASA Astrophysics Data System (ADS)

Sikora, Grzegorz; Wyłomańska, Agnieszka; Gajda, Janusz; Solé, Laura; Akin, Elizabeth J.; Tamkun, Michael M.; Krapf, Diego

2017-12-01

Protein and lipid nanodomains are prevalent on the surface of mammalian cells. In particular, it has been recently recognized that ion channels assemble into surface nanoclusters in the soma of cultured neurons. However, the interactions of these molecules with surface nanodomains display a considerable degree of heterogeneity. Here, we investigate this heterogeneity and develop statistical tools based on the recurrence of individual trajectories to identify subpopulations within ion channels in the neuronal surface. We specifically study the dynamics of the K+ channel Kv1.4 and the Na+ channel Nav1.6 on the surface of cultured hippocampal neurons at the single-molecule level. We find that both these molecules are expressed in two different forms with distinct kinetics with regards to surface interactions, emphasizing the complex proteomic landscape of the neuronal surface. Further, the tools presented in this work provide new methods for the analysis of membrane nanodomains, transient confinement, and identification of populations within single-particle trajectories.

Transition probability of the Si III 189.2-nm intersystem line

NASA Technical Reports Server (NTRS)

Kwong, H. S.; Johnson, B. C.; Smith, P. L.; Parkinson, W. H.

1983-01-01

Measurement of the lifetime of the metastable 3s3p(3)P(0)1 level of Si(2+) (Si III), which decays by photon emission at 189.2 nm to the 3s2(1)S0 state, is reported. The data were taken from spontaneous emission from metastable Si III stored in an RF ion trap. The Si III ions were produced through electron bombardment of SiH4 and SiF4 at pressures of 1/100,000,000-1/10,000,000 Torr. A photomultiplier was employed to count the photon emissions from the transitions. A total of 11 decay curves were generated for analysis, with Poisson statistics used to set the uncertainties at within 8 pct. Significant systematic effects were controlled, and the lifetime was found to be within 3.6 microsec of 59.9 microsec. The method used is concluded valid for determining the lifetimes of metastable levels of low-Z ions with low charge, and thereby the transition probabilities.

The effect of group IIIA metal ion dopants on the photocatalytic activities of nanocrystalline Sr0.25H1.5Ta2O6·H2O.

PubMed

Liang, Shijing; Zhu, Shuying; Zhu, Jia; Chen, Yan; Zhang, Yongfan; Wu, Ling

2012-01-21

A series of group IIIA metal ion electron acceptors doped into Sr(0.25)H(1.5)Ta(2)O(6)·H(2)O (HST) samples have been prepared by an impregnation and calcination method for the first time. The samples are characterized by XRD, TEM, DRS and XPS. The variations in the electronic structure and photoelectric response after metal ion doping are investigated by theoretical calculations and photocurrent experiments, respectively. Results show that the metal ions can be efficiently incorporated into the HST crystal structure, which is reflected in the lattice contraction. Meanwhile, the photoabsorption edges of the metal-doped HST samples are red shifted to a longer wavelength. Taking into account the ionic radii and electronegativities of the dopants, as well as the XRD and XPS results, it is concluded that Ta(5+) ions may be partially substituted by the Al(3+) and Ga(3+) ions in the framework, while In(3+) ions are the favourable substitutes for Sr(2+) sites in the cavity. The first-principles DFT calculations confirm that the variation of the band structure is sensitive to the type of group IIIA metal ion. Introducing the dopant only at the Ta site induces an obvious variation in the band structure and the band gap becomes narrow. Meanwhile, an ''extra step'' appeared in the band gap, which can trap photogenerated electrons from the valance band (VB) and could enhance the charge mobility and the photocurrent. For the photocatalytic degradation of methyl orange in an aqueous solution and in benzene in the gas phase, the doped samples show superior photocatalytic activities compared with both undoped samples and TiO(2). The enhanced photocatalytic activities can be well explained by their electronic structure, photoabsorption performance, photoelectric response, and the concentration of the active species. Due to the fact that Ga ion doping can create an acceptor impurity level and change the electronic band, efficiently narrowing the band gap, the Ga-doped sample shows the highest photocatalytic activity.

Shannon information entropy in heavy-ion collisions

NASA Astrophysics Data System (ADS)

Ma, Chun-Wang; Ma, Yu-Gang

2018-03-01

The general idea of information entropy provided by C.E. Shannon "hangs over everything we do" and can be applied to a great variety of problems once the connection between a distribution and the quantities of interest is found. The Shannon information entropy essentially quantify the information of a quantity with its specific distribution, for which the information entropy based methods have been deeply developed in many scientific areas including physics. The dynamical properties of heavy-ion collisions (HICs) process make it difficult and complex to study the nuclear matter and its evolution, for which Shannon information entropy theory can provide new methods and observables to understand the physical phenomena both theoretically and experimentally. To better understand the processes of HICs, the main characteristics of typical models, including the quantum molecular dynamics models, thermodynamics models, and statistical models, etc., are briefly introduced. The typical applications of Shannon information theory in HICs are collected, which cover the chaotic behavior in branching process of hadron collisions, the liquid-gas phase transition in HICs, and the isobaric difference scaling phenomenon for intermediate mass fragments produced in HICs of neutron-rich systems. Even though the present applications in heavy-ion collision physics are still relatively simple, it would shed light on key questions we are seeking for. It is suggested to further develop the information entropy methods in nuclear reactions models, as well as to develop new analysis methods to study the properties of nuclear matters in HICs, especially the evolution of dynamics system.

Mechanistic study of manganese-substituted glycerol dehydrogenase using a kinetic and thermodynamic analysis.

PubMed

Fang, Baishan; Niu, Jin; Ren, Hong; Guo, Yingxia; Wang, Shizhen

2014-01-01

Mechanistic insights regarding the activity enhancement of dehydrogenase by metal ion substitution were investigated by a simple method using a kinetic and thermodynamic analysis. By profiling the binding energy of both the substrate and product, the metal ion's role in catalysis enhancement was revealed. Glycerol dehydrogenase (GDH) from Klebsiella pneumoniae sp., which demonstrated an improvement in activity by the substitution of a zinc ion with a manganese ion, was used as a model for the mechanistic study of metal ion substitution. A kinetic model based on an ordered Bi-Bi mechanism was proposed considering the noncompetitive product inhibition of dihydroxyacetone (DHA) and the competitive product inhibition of NADH. By obtaining preliminary kinetic parameters of substrate and product inhibition, the number of estimated parameters was reduced from 10 to 4 for a nonlinear regression-based kinetic parameter estimation. The simulated values of time-concentration curves fit the experimental values well, with an average relative error of 11.5% and 12.7% for Mn-GDH and GDH, respectively. A comparison of the binding energy of enzyme ternary complex for Mn-GDH and GDH derived from kinetic parameters indicated that metal ion substitution accelerated the release of dioxyacetone. The metal ion's role in catalysis enhancement was explicated.

Chemoselective tarantula toxins report voltage activation of wild-type ion channels in live cells

PubMed Central

Tilley, Drew C.; Eum, Kenneth S.; Fletcher-Taylor, Sebastian; Austin, Daniel C.; Dupré, Christophe; Patrón, Lilian A.; Garcia, Rita L.; Lam, Kit; Yarov-Yarovoy, Vladimir; Cohen, Bruce E.; Sack, Jon T.

2014-01-01

Electrically excitable cells, such as neurons, exhibit tremendous diversity in their firing patterns, a consequence of the complex collection of ion channels present in any specific cell. Although numerous methods are capable of measuring cellular electrical signals, understanding which types of ion channels give rise to these signals remains a significant challenge. Here, we describe exogenous probes which use a novel mechanism to report activity of voltage-gated channels. We have synthesized chemoselective derivatives of the tarantula toxin guangxitoxin-1E (GxTX), an inhibitory cystine knot peptide that binds selectively to Kv2-type voltage gated potassium channels. We find that voltage activation of Kv2.1 channels triggers GxTX dissociation, and thus GxTX binding dynamically marks Kv2 activation. We identify GxTX residues that can be replaced by thiol- or alkyne-bearing amino acids, without disrupting toxin folding or activity, and chemoselectively ligate fluorophores or affinity probes to these sites. We find that GxTX–fluorophore conjugates colocalize with Kv2.1 clusters in live cells and are released from channels activated by voltage stimuli. Kv2.1 activation can be detected with concentrations of probe that have a trivial impact on cellular currents. Chemoselective GxTX mutants conjugated to dendrimeric beads likewise bind live cells expressing Kv2.1, and the beads are released by channel activation. These optical sensors of conformational change are prototype probes that can indicate when ion channels contribute to electrical signaling. PMID:25331865

[Composition and source of atmosphere aerosol water soluble ions over the East China Sea in winter].

PubMed

He, Yu-Hui; Yang, Gui-Peng; Zhang, Hong-Hai

2011-08-01

With the ion chromatographic method, the water-soluble ion concentrations of Cl(-), NO3(-), SO4(2-) , CH3SO3(-) (MSA), Na+, K+, NH4+, Mg2+ and Ca2+ in the atmospheric aerosol over the East China Sea in winter 2009 was determined and the sources of these ions was investigated through correlation analysis by SPSS (statistical package for social sciences) software. The results indicated that the concentrations of secondary ions in aerosol were the highest (non-sea-salt sulfates nss-SO4(2-), NO3(-), NH4+), accounting for 78.4% of total determining ions. The calculation results of equivalent concentration of anions and cations showed that the acid ions of aerosol were neutralized inadequately. The stoichiometry of NH4+ in different compounds showed that NH4HSO4 was the main binding form of NH4+ and SO4(2-) in the aerosol. The concentration of methanesulfonic acid (MSA) was low, and the average value was (0.0088 +/- 0.0037) microg x m(-3). According to calculation, the contribution of sea-salt sulfates was 4.5% to total sulfates, and that of biogenous sulfates was 1.4% to non-sea-salt sulfate (nss-SO4(2-)), showing that human input was the main source of sulfates in aerosol over the East China Sea. In addition, nss-SO4(2-)/NO3(-) in the aerosol was 1.08, reflecting that China's energy structure adjustment played an important role in recent years.

Active learning methods for interactive image retrieval.

PubMed

Gosselin, Philippe Henri; Cord, Matthieu

2008-07-01

Active learning methods have been considered with increased interest in the statistical learning community. Initially developed within a classification framework, a lot of extensions are now being proposed to handle multimedia applications. This paper provides algorithms within a statistical framework to extend active learning for online content-based image retrieval (CBIR). The classification framework is presented with experiments to compare several powerful classification techniques in this information retrieval context. Focusing on interactive methods, active learning strategy is then described. The limitations of this approach for CBIR are emphasized before presenting our new active selection process RETIN. First, as any active method is sensitive to the boundary estimation between classes, the RETIN strategy carries out a boundary correction to make the retrieval process more robust. Second, the criterion of generalization error to optimize the active learning selection is modified to better represent the CBIR objective of database ranking. Third, a batch processing of images is proposed. Our strategy leads to a fast and efficient active learning scheme to retrieve sets of online images (query concept). Experiments on large databases show that the RETIN method performs well in comparison to several other active strategies.

Fabrication of hierarchically branched SnO2 nanowires by two-step deposition method and their applications to electrocatalyst support and Li ion electrode

NASA Astrophysics Data System (ADS)

Lee, Sang Ho; Jo, Yong-Ryun; Noh, Yuseong; Kim, Bong-Joong; Kim, Won Bae

2017-11-01

This paper reports hierarchically branched structures of tin dioxide nanowires for use in electrochemical energy conversion and storage electrode systems. The shallow tin dioxide branches are epitaxially grown on the tin dioxide nanowire backbones that are directly formed on current collectors. The branched tin dioxide nanowires are applied as anode electrodes for lithium-ion batteries, while palladium-incorporated branched nanowires are utilized as electrocatalysts for ethanol electrooxidation reactions. The structural benefits of these hierarchical platforms, such as enlarged electrochemical active surface area, void space formed between the branched structures, and conformal contact of the electroactive materials with current collectors, play important roles in improving the electrochemical Li-ion storage as well as electrocatalytic activity.

Ion source and beam guiding studies for an API neutron generator

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

Sy, A.; Ji, Q.; Persaud, A.

2013-04-19

Recently developed neutron imaging methods require high neutron yields for fast imaging times and small beam widths for good imaging resolution. For ion sources with low current density to be viable for these types of imaging methods, large extraction apertures and beam focusing must be used. We present recent work on the optimization of a Penning-type ion source for neutron generator applications. Two multi-cusp magnet configurations have been tested and are shown to increase the extracted ion current density over operation without multi-cusp magnetic fields. The use of multi-cusp magnetic confinement and gold electrode surfaces have resulted in increased ionmore » current density, up to 2.2 mA/cm{sup 2}. Passive beam focusing using tapered dielectric capillaries has been explored due to its potential for beam compression without the cost and complexity issues associated with active focusing elements. Initial results from first experiments indicate the possibility of beam compression. Further work is required to evaluate the viability of such focusing methods for associated particle imaging (API) systems.« less

SAFER, an Analysis Method of Quantitative Proteomic Data, Reveals New Interactors of the C. elegans Autophagic Protein LGG-1.

PubMed

Yi, Zhou; Manil-Ségalen, Marion; Sago, Laila; Glatigny, Annie; Redeker, Virginie; Legouis, Renaud; Mucchielli-Giorgi, Marie-Hélène

2016-05-06

Affinity purifications followed by mass spectrometric analysis are used to identify protein-protein interactions. Because quantitative proteomic data are noisy, it is necessary to develop statistical methods to eliminate false-positives and identify true partners. We present here a novel approach for filtering false interactors, named "SAFER" for mass Spectrometry data Analysis by Filtering of Experimental Replicates, which is based on the reproducibility of the replicates and the fold-change of the protein intensities between bait and control. To identify regulators or targets of autophagy, we characterized the interactors of LGG1, a ubiquitin-like protein involved in autophagosome formation in C. elegans. LGG-1 partners were purified by affinity, analyzed by nanoLC-MS/MS mass spectrometry, and quantified by a label-free proteomic approach based on the mass spectrometric signal intensity of peptide precursor ions. Because the selection of confident interactions depends on the method used for statistical analysis, we compared SAFER with several statistical tests and different scoring algorithms on this set of data. We show that SAFER recovers high-confidence interactors that have been ignored by the other methods and identified new candidates involved in the autophagy process. We further validated our method on a public data set and conclude that SAFER notably improves the identification of protein interactors.

FABRICATION AND PHOTOCATALYTIC PROPERTIES OF TiO2 NANOFILMS CO-DOPED WITH Fe3+ AND Bi3+ IONS

NASA Astrophysics Data System (ADS)

Gao, Qiongzhi; Liu, Xin; Liu, Wei; Liu, Fang; Fang, Yueping; Zhang, Shiying; Zhou, Wuyi

2016-12-01

In this work, the titanium dioxide (TiO2) nanofilms co-doped with Fe3+ and Bi3+ ions were successfully fabricated by the sol-gel method with dip-coating process. Methylene blue was used as the target degradation chemical to study the photocatalytic properties affected by different doping contents of Fe3+ and Bi3+ ions. The samples were characterized by X-ray diffractometer (XRD), scanning electron microscopy (SEM) and infrared (IR) spectroscopy. The results indicated that both pure TiO2 nanofilms and single-doped samples possessed the photocatalytic activity in degradation of methylene blue. However, when the nanofilms co-doped with Fe3+ and Bi3+ ions were fabricated at the molar ratio of 3:1 (Fe3+:Bi3+), they exhibited the best photocatalytic activity after the heat treatment at 500∘C for 2h. The wettability property test indicated that the TiO2 nanofilms co-doped with Fe3+ and Bi3+ ions in the molar ratio 3:1 owned an excellent hydrophilic property.

Specific modification of polysulfone with cluster bombardment with assistance of Ar ion irradiation

NASA Astrophysics Data System (ADS)

Xu, Guochun; Hibino, Y.; Awazu, K.; Tanihara, M.; Imanishi, Y.

2000-02-01

Objective: To develop a rapid method for the modification of polysulfone with ammonium sulfamate with the assistance of Ar ion irradiation with a multi-source cluster deposition apparatus. These surfaces mimicking the structure of heparin, a bioactive molecule, have a high anti-thrombosis property. Experimental Design: Polysulfone film, setting on a turning holder, was irradiated by Ar ions during bombardment with ammonium sulfamate clusters. The Ar ion source serves for the activation of a polymer surface and a cluster ion source supplies ammonium sulfamate molecules to react with the activated surface. After thorough washing with de-ionized sterile water, the modified surfaces were evaluated in terms of the contact angle of water, elemental composition, and binding state on electron spectroscopy for chemical analysis and platelet adhesion with platelet rich plasma. Results: The modification of polysulfone decreased the contact angle of water on surfaces from 82.6 ° down to 34.5 °. Ammonium, amine, sulfate, and thiophene combinations were formed on the modified surfaces. The adhesion numbers of the platelet were decreased to one tenth compared to the original surface. The same process was also applied to other polymers such as polyethylene, polypropylene, and polystyrene and similar outcomes were also observed. Conclusion: The primary studies showed successful modification of polysulfone with ammonium sulfamate with the assistance of Ar ion irradiation. Since the same concept can also be applied to other materials with various substrates, combined with the features of no solvent and no topographic changes, this method might be developed into a promising way for modification of polymeric materials.

Investigating the limits of PET/CT imaging at very low true count rates and high random fractions in ion-beam therapy monitoring.

PubMed

Kurz, Christopher; Bauer, Julia; Conti, Maurizio; Guérin, Laura; Eriksson, Lars; Parodi, Katia

2015-07-01

External beam radiotherapy with protons and heavier ions enables a tighter conformation of the applied dose to arbitrarily shaped tumor volumes with respect to photons, but is more sensitive to uncertainties in the radiotherapeutic treatment chain. Consequently, an independent verification of the applied treatment is highly desirable. For this purpose, the irradiation-induced β(+)-emitter distribution within the patient is detected shortly after irradiation by a commercial full-ring positron emission tomography/x-ray computed tomography (PET/CT) scanner installed next to the treatment rooms at the Heidelberg Ion-Beam Therapy Center (HIT). A major challenge to this approach is posed by the small number of detected coincidences. This contribution aims at characterizing the performance of the used PET/CT device and identifying the best-performing reconstruction algorithm under the particular statistical conditions of PET-based treatment monitoring. Moreover, this study addresses the impact of radiation background from the intrinsically radioactive lutetium-oxyorthosilicate (LSO)-based detectors at low counts. The authors have acquired 30 subsequent PET scans of a cylindrical phantom emulating a patientlike activity pattern and spanning the entire patient counting regime in terms of true coincidences and random fractions (RFs). Accuracy and precision of activity quantification, image noise, and geometrical fidelity of the scanner have been investigated for various reconstruction algorithms and settings in order to identify a practical, well-suited reconstruction scheme for PET-based treatment verification. Truncated listmode data have been utilized for separating the effects of small true count numbers and high RFs on the reconstructed images. A corresponding simulation study enabled extending the results to an even wider range of counting statistics and to additionally investigate the impact of scatter coincidences. Eventually, the recommended reconstruction scheme has been applied to exemplary postirradiation patient data-sets. Among the investigated reconstruction options, the overall best results in terms of image noise, activity quantification, and accurate geometrical recovery were achieved using the ordered subset expectation maximization reconstruction algorithm with time-of-flight (TOF) and point-spread function (PSF) information. For this algorithm, reasonably accurate (better than 5%) and precise (uncertainty of the mean activity below 10%) imaging can be provided down to 80,000 true coincidences at 96% RF. Image noise and geometrical fidelity are generally improved for fewer iterations. The main limitation for PET-based treatment monitoring has been identified in the small number of true coincidences, rather than the high intrinsic random background. Application of the optimized reconstruction scheme to patient data-sets results in a 25% - 50% reduced image noise at a comparable activity quantification accuracy and an improved geometrical performance with respect to the formerly used reconstruction scheme at HIT, adopted from nuclear medicine applications. Under the poor statistical conditions in PET-based treatment monitoring, improved results can be achieved by considering PSF and TOF information during image reconstruction and by applying less iterations than in conventional nuclear medicine imaging. Geometrical fidelity and image noise are mainly limited by the low number of true coincidences, not the high LSO-related random background. The retrieved results might also impact other emerging PET applications at low counting statistics.

A comparative study of commercial lithium ion battery cycle life in electrical vehicle: Aging mechanism identification

NASA Astrophysics Data System (ADS)

Han, Xuebing; Ouyang, Minggao; Lu, Languang; Li, Jianqiu; Zheng, Yuejiu; Li, Zhe

2014-04-01

When lithium-ion batteries age with cycling, the battery capacity decreases and the resistance increases. The aging mechanism of different types of lithium-ion batteries differs. The loss of lithium inventory, loss of active material, and the increase in resistance may result in battery aging. Generally, analysis of the battery aging mechanism requires dismantling of batteries and using methods such as X-ray diffraction and scanning electron microscopy. These methods may permanently damage the battery. Therefore, the methods are inappropriate for the battery management system (BMS) in an electric vehicle. The constant current charging curves while charging the battery could be used to get the incremental capacity and differential voltage curves for identifying the aging mechanism; the battery state-of-health can then be estimated. This method can be potentially used in the BMS for online diagnostic and prognostic services. The genetic algorithm could be used to quantitatively analyze the battery aging offline. And the membership function could be used for onboard aging mechanism identification.

A statistical method for measuring activation of gene regulatory networks.

PubMed

Esteves, Gustavo H; Reis, Luiz F L

2018-06-13

Gene expression data analysis is of great importance for modern molecular biology, given our ability to measure the expression profiles of thousands of genes and enabling studies rooted in systems biology. In this work, we propose a simple statistical model for the activation measuring of gene regulatory networks, instead of the traditional gene co-expression networks. We present the mathematical construction of a statistical procedure for testing hypothesis regarding gene regulatory network activation. The real probability distribution for the test statistic is evaluated by a permutation based study. To illustrate the functionality of the proposed methodology, we also present a simple example based on a small hypothetical network and the activation measuring of two KEGG networks, both based on gene expression data collected from gastric and esophageal samples. The two KEGG networks were also analyzed for a public database, available through NCBI-GEO, presented as Supplementary Material. This method was implemented in an R package that is available at the BioConductor project website under the name maigesPack.

A NOVEL SEPARATION TECHNOLOGY FOR REMOVAL RECOVERY OF METALS FROM AQUEOUS SOLUTIONS

EPA Science Inventory

Recovery/Recycling of metal ions from industrial process waste streams is a preferred alternative to disposal by conventional techniques. This paper presents methods for preparation of inorganic chemically active adsorbents to be used in fixed bed adsorbers. Methods for immobiliz...

Concentrations of ambient air particulates (TSP, PM2.5 and PM2.5-10) and ionic species at offshore areas near Taiwan Strait.

PubMed

Fang, Guor-Cheng; Wu, Yuh-Shen; Chen, Jyh-Cherng; Rau, Jui-Yeh; Huang, Shih-Han; Lin, Chi-Kwong

2006-05-20

The concentrations of total suspended particulate (TSP), fine particles PM(2.5) (with aerodynamic diameter <2.5 microm), coarse particles PM(2.5-10) (with aerodynamic diameter 2.5-10 microm,), and water-soluble inorganic ions were studied at two offshore sampling sites, Taichung Harbor (TH) and Wuci Traffic (WT), near Taiwan Strait in central Taiwan during March 2004 to January 2005. Statistical analyses were also carried out to estimate the possible sources of particulate pollution. Experimental results showed that the average mass concentrations of TSP, PM(2.5) and PM(2.5-10) at TH and WT sampling sites were 154.54 +/- 31.45 and 113.59 +/- 31.94 microg m(-3), 54.03 +/- 16.92 and 42.76 +/- 12.52 microg m(-3), and 30.31+/- 9.79 and 24.16 +/- 7.27 microg m(-3), respectively. The dominant inorganic ions at two sampling sites were SO(4)(2-), NO(3)(-), and NH(4)(+) for TSP and PM(2.5), but that were Ca(2+), Cl(-), and Na(+) for PM(2.5-10). The concentrations of most particulates and inorganic ions were higher in winter at both two sampling sites, and were higher at TH than WT sampling site in each season. From statistical analysis, air-slake of crust surface, sea-salt aerosols, agriculture activities, coal combustion, and mobile vehicles were the possible emission sources of particulate pollution at TH and WT sampling sites.

Combination of liquid chromatography-Fourier transform ion cyclotron resonance-mass spectrometry with 13C-labeling for chemical assignment of sulfur-containing metabolites in onion bulbs.

PubMed

Nakabayashi, Ryo; Sawada, Yuji; Yamada, Yutaka; Suzuki, Makoto; Hirai, Masami Yokota; Sakurai, Tetsuya; Saito, Kazuki

2013-02-05

Phytochemicals containing heteroatoms (N, O, S, and halogens) often have biological activities that are beneficial to humans. Although targeted profiling methods for such phytochemicals are expected to contribute to rapid chemical assignments, thus making phytochemical genomics and crop breeding much more efficient, there are few profiling methods for the metabolites. Here, as an ultrahigh performance approach, we propose a practical profiling method for S-containing metabolites (S-omics) using onions (Allium cepa) as a representative species and (12)C- and (13)C-based mass spectrometry (MS) and tandem mass spectrometry (MS/MS) analyses by liquid chromatography-Fourier transform ion cyclotron resonance-mass spectrometry (LC-FTICR-MS). Use of the ultrahigh quality data from FTICR-MS enabled simplifying the previous methods to determine specific elemental compositions. MS analysis with a resolution of >250,000 full width at half-maximum and a mass accuracy of <1 ppm can distinguish S-containing monoisotopic ions from other ions on the basis of the natural abundance of (32)S and (34)S and the mass differences among the S isotopes. Comprehensive peak picking using the theoretical mass difference (1.99579 Da) between (32)S-containing monoisotopic ions and their (34)S-substituted counterparts led to the assignment of 67 S-containing monoisotopic ions from the (12)C-based MS spectra, which contained 4693 chromatographic ions. The unambiguous elemental composition of 22 ions was identified through comparative analysis of the (12)C- and (13)C-based MS spectra. Finally, of these, six ions were found to be derived from S-alk(en)ylcysteine sulfoxides and glutathione derivatives. This S-atom-driven approach afforded an efficient chemical assignment of S-containing metabolites, suggesting its potential application for screening not only S but also other heteroatom-containing metabolites in MS-based metabolomics.

Simultaneous determination of asperosaponin VI and its active metabolite hederagenin in rat plasma by liquid chromatography-tandem mass spectrometry with positive/negative ion-switching electrospray ionization and its application in pharmacokinetic study.

PubMed

Zhu, He; Ding, Li; Shakya, Shailendra; Qi, Xiemin; Hu, Linlin; Yang, Xiaolin; Yang, Zhonglin

2011-11-15

A new liquid chromatography-tandem mass spectrometry (LC-MS/MS) method operated in the positive/negative electrospray ionization (ESI) switching mode has been developed and validated for the simultaneous determination of asperosaponin VI and its active metabolite hederagenin in rat plasma. After addition of internal standards diazepam (for asperosaponin VI) and glycyrrhetic acid (for hederagenin), the plasma sample was deproteinized with acetonitrile, and separated on a reversed phase C18 column with a mobile phase of methanol (solvent A)-0.05% glacial acetic acid containing 10 mM ammonium acetate and 30 μM sodium acetate (solvent B) using gradient elution. The detection of target compounds was done in multiple reaction monitoring (MRM) mode using a tandem mass spectrometry equipped with positive/negative ion-switching ESI source. At the first segment, the MRM detection was operated in the positive ESI mode using the transitions of m/z 951.5 ([M+Na](+))→347.1 for asperosaponin VI and m/z 285.1 ([M+H](+))→193.1 for diazepam for 4 min, then switched to the negative ESI mode using the transitions of m/z 471.3 ([M-H](-))→471.3 for hederagenin and m/z 469.4 ([M-H](-))→425.4 for glycyrrhetic acid, respectively. The sodiated molecular ion [M+Na](+) at m/z 951.5 was selected as the precursor ion for asperosaponin VI, since it provided better sensitivity compared to the deprotonated and protonated molecular ions. Sodium acetate was added to the mobile phase to make sure that abundant amount of the sodiated molecular ion of asperosaponin VI could be produced, and more stable and intensive mass response of the product ion could be obtained. For the detection of hederagenin, since all of the mass responses of the fragment ions were very weak, the deprotonated molecular ion [M-H](-)m/z 471.3 was employed as both the precursor ion and the product ion. But the collision energy was still used for the MRM, in order to eliminate the influences induced by the interference substances from the rat plasma. The validated method was successfully applied to study the pharmacokinetics of asperosaponin VI and its active metabolite hederagenin in rat plasma after oral administration of asperosaponin VI at a dose of 90 mg/kg. Copyright © 2011 Elsevier B.V. All rights reserved.

Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis.

PubMed

Cole, Jacqueline M; Cheng, Xie; Payne, Michael C

2016-11-07

The use of principal component analysis (PCA) to statistically infer features of local structure from experimental pair distribution function (PDF) data is assessed on a case study of rare-earth phosphate glasses (REPGs). Such glasses, codoped with two rare-earth ions (R and R') of different sizes and optical properties, are of interest to the laser industry. The determination of structure-property relationships in these materials is an important aspect of their technological development. Yet, realizing the local structure of codoped REPGs presents significant challenges relative to their singly doped counterparts; specifically, R and R' are difficult to distinguish in terms of establishing relative material compositions, identifying atomic pairwise correlation profiles in a PDF that are associated with each ion, and resolving peak overlap of such profiles in PDFs. This study demonstrates that PCA can be employed to help overcome these structural complications, by statistically inferring trends in PDFs that exist for a restricted set of experimental data on REPGs, and using these as training data to predict material compositions and PDF profiles in unknown codoped REPGs. The application of these PCA methods to resolve individual atomic pairwise correlations in t(r) signatures is also presented. The training methods developed for these structural predictions are prevalidated by testing their ability to reproduce known physical phenomena, such as the lanthanide contraction, on PDF signatures of the structurally simpler singly doped REPGs. The intrinsic limitations of applying PCA to analyze PDFs relative to the quality control of source data, data processing, and sample definition, are also considered. While this case study is limited to lanthanide-doped REPGs, this type of statistical inference may easily be extended to other inorganic solid-state materials and be exploited in large-scale data-mining efforts that probe many t(r) functions.

Chemometric and multivariate statistical analysis of time-of-flight secondary ion mass spectrometry spectra from complex Cu-Fe sulfides.

PubMed

Kalegowda, Yogesh; Harmer, Sarah L

2012-03-20

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) spectra of mineral samples are complex, comprised of large mass ranges and many peaks. Consequently, characterization and classification analysis of these systems is challenging. In this study, different chemometric and statistical data evaluation methods, based on monolayer sensitive TOF-SIMS data, have been tested for the characterization and classification of copper-iron sulfide minerals (chalcopyrite, chalcocite, bornite, and pyrite) at different flotation pulp conditions (feed, conditioned feed, and Eh modified). The complex mass spectral data sets were analyzed using the following chemometric and statistical techniques: principal component analysis (PCA); principal component-discriminant functional analysis (PC-DFA); soft independent modeling of class analogy (SIMCA); and k-Nearest Neighbor (k-NN) classification. PCA was found to be an important first step in multivariate analysis, providing insight into both the relative grouping of samples and the elemental/molecular basis for those groupings. For samples exposed to oxidative conditions (at Eh ~430 mV), each technique (PCA, PC-DFA, SIMCA, and k-NN) was found to produce excellent classification. For samples at reductive conditions (at Eh ~ -200 mV SHE), k-NN and SIMCA produced the most accurate classification. Phase identification of particles that contain the same elements but a different crystal structure in a mixed multimetal mineral system has been achieved.

A review of thermal performance improving methods of lithium ion battery: Electrode modification and thermal management system

NASA Astrophysics Data System (ADS)

Zhao, Rui; Zhang, Sijie; Liu, Jie; Gu, Junjie

2015-12-01

Lithium ion (Li-ion) battery has emerged as an important power source for portable devices and electric vehicles due to its superiority over other energy storage technologies. A mild temperature variation as well as a proper operating temperature range are essential for a Li-ion battery to perform soundly and have a long service life. In this review paper, the heat generation and dissipation of Li-ion battery are firstly analyzed based on the energy conservation equations, followed by an examination of the hazardous effects of an above normal operating temperature. Then, advanced techniques in respect of electrode modification and systematic battery thermal management are inspected in detail as solutions in terms of reducing internal heat production and accelerating external heat dissipation, respectively. Specifically, variable parameters like electrode thickness and particle size of active material, along with optimization methods such as coating, doping, and adding conductive media are discussed in the electrode modification section, while the current development in air cooling, liquid cooling, heat pipe cooling, and phase change material cooling systems are reviewed in the thermal management part as different ways to improve the thermal performance of Li-ion batteries.

In-situ Plasma Analysis of Ion Kinetics in the Solar Wind and Hermean Magnetosphere

NASA Astrophysics Data System (ADS)

Tracy, Patrick J.

The heating of the solar wind and its interaction with the unique planetary magnetosphere of Mercury is the primary focus of this work. The first aspect of this study focused on the heavy ion population of the solar wind (A > 4 amu), and how well the signature of the heating process responsible for creating the solar wind is preserved in this heavy ion population. We found that this signature in the heavy ion population is primarily erased (thermalized) via Coulomb collisional interactions with solar wind protons. The heavy ions observed in collisionally young solar wind reveal a clear, stable dependence on mass, along with non-thermal heating that is not in agreement with current predictions based on turbulent transport and kinetic dissipation. Due to its weak magnetic dipole, the solar wind can impinge on the surface of Mercury, one of the processes contributing to the desorption of neutrals and, through ionization, ions that make up the planet's exosphere. Differentiating between surface mechanisms and analyzing magnetospheric plasma dynamics requires the quantification of a variety of ion species. A detailed forward model and a robust statistical method were created to identify new ion signatures in the measurement space of the FIPS instrument, formerly orbiting Mercury onboard the MESSENGER spacecraft. The recovery of new heavy ions species, including Al, Ne, Si, and Mg, along with tentative recoveries of S, Ar, K, and C, enable in depth studies of the plasma dynamics in the Hermean magnetosphere. The interaction of the solar wind with the bow shock of the Hermean magnetosphere leads to the creation of a foreshock region. New tools and methods were created to enable the analysis of the diffuse and Field Aligned Beam (FAB) populations in unique parameter regime of the Hermean foreshock. One result suggests that the energization process for the observed FABs can be explained by Shock Drift Acceleration, and not limited by the small spatial size of Mercury's bow shock. Analysis of diffuse populations shows that a connection time limited diffusive shock acceleration is likely responsible for the behavior of the observed energy distributions.

A comparative study on the antioxidant activity of methanolic extracts from different parts of Morus alba L. (Moraceae)

PubMed Central

2013-01-01

Background Antioxidants play an important role to protect damage caused by oxidative stress (OS). Plants having phenolic contents are reported to possess antioxidant properties. The present study was designed to investigate the antioxidant properties and phenolic contents (total phenols, flavonoids, flavonols and proanthrocyanidins) of methanolic extracts from Morus alba (locally named as Tut and commonly known as white mulberry) stem barks (TSB), root bark (TRB), leaves (TL) and fruits (TF) to make a statistical correlation between phenolic contents and antioxidant potential. Methods The antioxidant activities and phenolic contents of methanolic extractives were evaluated by in vitro standard method using spectrophotometer. The antioxidant activities were determined by total antioxidant capacity, DPPH (1,1-diphenyl-2-picrylhydrazine) radical scavenging assay, hydroxyl radical scavenging assay, ferrous reducing antioxidant capacity and lipid peroxidation inhibition assay methods. Results Among the extracts, TSB showed the highest antioxidant activity followed by TRB, TF and TL. Based on DPPH and hydroxyl radical scavenging activity, the TSB extract was the most effective one with IC50 37.75 and 58.90 μg/mL, followed by TRB, TF and TL with IC50 40.20 and 102.03; 175.01 and 114.63 and 220.23 and 234.63 μg/mL, respectively. The TSB extract had the most potent inhibitory activity against lipid peroxidation with IC50 145.31 μg/mL. In addition, the reducing capacity on ferrous ion was in the following order: TSB > TRB > TL > TF. The content of phenolics, flavonoids, flavonols and proanthocyanidins of TSB was found to be higher than other extractives. Conclusion The results indicate high correlation and regression (p-value <0 .001) between phenolic contents and antioxidant potentials of the extracts, hence the Tut plant could serve as effective free radical inhibitor or scavenger which may be a good candidate for pharmaceutical plant-based products. However, further exploration is necessary for effective use in both modern and traditional system of medicines. PMID:23331970

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

Zhu, Jinlong; Wang, Yonggang; Li, Shuai

Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-state battery. In this work, the sodium ionic transport pathways of the parent compound Na3OBr, as well as the modified layered antiperovskite Na4OI2, were studied and compared through temperature dependent neutron diffraction combined with the maximum entropy method. In the cubic Na3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions hop within and among oxygen octahedra, and Br- ions are not involved. In the tetragonal Na4OI2 antiperovskite, Na ions, which connectmore » octahedra in the ab plane, have the lowest activation energy barrier. The transport of sodium ions along the c axis is assisted by I- ions.« less

Instabilities and Turbulence Generation by Pick-Up Ion Distributions in the Outer Heliosheath

NASA Astrophysics Data System (ADS)

Weichman, K.; Roytershteyn, V.; Delzanno, G. L.; Pogorelov, N.

2017-12-01

Pick-up ions (PUIs) play a significant role in the dynamics of the heliosphere. One problem that has attracted significant attention is the stability of ring-like distributions of PUIs and the electromagnetic fluctuations that could be generated by PUI distributions. For example, PUI stability is relevant to theories attempting to identify the origins of the IBEX ribbon. PUIs have previously been investigated by linear stability analysis of model (e.g. Gaussian) rings and corresponding computer simulations. The majority of these simulations utilized particle-in-cell methods which suffer from accuracy limitations imposed by the statistical noise associated with representing the plasma by a relatively small number of computational particles. In this work, we utilize highly accurate spectral Vlasov simulations conducted using the fully kinetic implicit code SPS (Spectral Plasma Solver) to investigate the PUI distributions inferred from a global heliospheric model (Heerikhuisen et al., 2016). Results are compared with those obtained by hybrid and fully kinetic particle-in-cell methods.

Method for removing metal ions from solution with titanate sorbents

DOEpatents

Lundquist, Susan H.; White, Lloyd R.

1999-01-01

A method for removing metal ions from solution comprises the steps of providing titanate particles by spray-drying a solution or slurry comprising sorbent titanates having a particle size up to 20 micrometers, optionally in the presence of polymer free of cellulose functionality as binder, said sorbent being active towards heavy metals from Periodic Table (CAS version) Groups IA, IIA, IB, IIB, IIIB, and VIII, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size distribution in the range of 1 to 500 micrometers. The particles can be used free flowing in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove metal ions from aqueous or organic liquid.

Quantitative Evaluation of Ion-implanted Arsenic in Silicon by Instrumental Neutron Activation Analysis

NASA Astrophysics Data System (ADS)

Takatsuka, Toshiko; Hirata, Kouichi; Kobayashi, Yoshinori; Kuroiwa, Takayoshi; Miura, Tsutomu; Matsue, Hideaki

2008-11-01

Certified reference materials (CRMs) of shallow arsenic implants in silicon are now under development at the National Metrology Institute of Japan (NMIJ). The amount of ion-implanted arsenic atoms is quantified by Instrumental Neutron Activation Analysis (INAA) using research reactor JRR-3 in Japan Atomic Energy Agency (JAEA). It is found that this method can evaluate arsenic amounts of 1015 atoms/cm2 with small uncertainties, and is adaptable to shallower dopants. The estimated uncertainties can satisfy the industrial demands for reference materials to calibrate the implanted dose of arsenic at shallow junctions.

Three-Dimensional LiMnPO4·Li3V2(PO4)3/C Nanocomposite as a Bicontinuous Cathode for High-Rate and Long-Life Lithium-Ion Batteries.

PubMed

Luo, Yanzhu; Xu, Xu; Zhang, Yuxiang; Pi, Yuqiang; Yan, Mengyu; Wei, Qiulong; Tian, Xiaocong; Mai, Liqiang

2015-08-12

Olivine-type LiMnPO4 has been extensively studied as a high-energy density cathode material for lithium-ion batteries. To improve both the ionic and electronic conductivities of LiMnPO4, a series of carbon-decorated LiMnPO4·Li3V2(PO4)3 nanocomposites are synthesized by a facile sol-gel method combined with the conventional solid-state method. The optimized composite presents a three-dimensional hierarchical structure with active nanoparticles well-embedded in a conductive carbon matrix. The combination of the nanoscale carbon coating and the microscale carbon network could provide a more active site for electrochemical reaction, as well as a highly conductive network for both electron and lithium-ion transportation. When cycled at 20 C, an initial specific capacity of 103 mA h g(-1) can be obtained and the capacity retention reaches 68% after 3000 cycles, corresponding to a capacity fading of 0.013% per cycle. The stable capacity and excellent rate capability make this carbon-decorated LiMnPO4·Li3V2(PO4)3 nanocomposite a promising cathode for lithium-ion batteries.

Solid phase extraction of metal ions in environmental samples on 1-(2-pyridylazo)-2-naphthol impregnated activated carbon cloth.

PubMed

Alothman, Zeid A; Yilmaz, Erkan; Habila, Mohamed; Soylak, Mustafa

2015-02-01

1-(2-Pyridylazo)-2-naphthol impregnated activated carbon cloth (PAN-imp-ACC) was prepared as a solid phase sorbent and, for the first time, was used for the simultaneous separation and preconcentration of trace amounts of lead, cadmium and nickel in water, soil and sewage sludge samples prior to determination by flame atomic absorption spectrometry (FAAS). The parameters governing the efficiency of the method were optimized, including the pH, the eluent type and volume, the sample and eluent flow rates, diverse ions effects and the sample volume. A preconcentration factor of 100 was achieved for all the metal ions, with detection limits of 0.1-2.8 µg L(-1) and relative standard deviations below 6.3%. The adsorption capacity of the PAN-imp-ACC for Pb(II), Cd(II) and Ni(II) ions was found to be 45.0 mg g(-1), 45.0 mg g(-1) and 43.2 mg g(-1), respectively. The method was validated by the analysis of the certified reference materials TMDA-64.2 fortified Lake Ontario water and BCR-146R Sewage Sludge Amended Soil (Industrial Origin). The procedure was applied to determine the analytes content in real samples. Copyright © 2014 Elsevier Inc. All rights reserved.

Two mechanisms of oral malodor inhibition by zinc ions

PubMed Central

Suzuki, Nao; Nakano, Yoshio; Watanabe, Takeshi; Yoneda, Masahiro; Hirofuji, Takao; Hanioka, Takashi

2018-01-01

Abstract Objectives The aim of this study was to reveal the mechanisms by which zinc ions inhibit oral malodor. Material and Methods The direct binding of zinc ions to gaseous hydrogen sulfide (H2S) was assessed in comparison with other metal ions. Nine metal chlorides and six metal acetates were examined. To understand the strength of H2S volatilization inhibition, the minimum concentration needed to inhibit H2S volatilization was determined using serial dilution methods. Subsequently, the inhibitory activities of zinc ions on the growth of six oral bacterial strains related to volatile sulfur compound (VSC) production and three strains not related to VSC production were evaluated. Results Aqueous solutions of ZnCl2, CdCl2, CuCl2, (CH3COO)2Zn, (CH3COO)2Cd, (CH3COO)2Cu, and CH3COOAg inhibited H2S volatilization almost entirely. The strengths of H2S volatilization inhibition were in the order Ag+ > Cd2+ > Cu2+ > Zn2+. The effect of zinc ions on the growth of oral bacteria was strain-dependent. Fusobacterium nucleatum ATCC 25586 was the most sensitive, as it was suppressed by medium containing 0.001% zinc ions. Conclusions Zinc ions have an inhibitory effect on oral malodor involving the two mechanisms of direct binding with gaseous H2S and suppressing the growth of VSC-producing oral bacteria. PMID:29364345

Enhancing visible light photocatalytic and photocharge separation of (BiO){sub 2}CO{sub 3} plate via dramatic I{sup −} ions doping effect

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

Liang, Lei; Cao, Jing; Anhui Collaborative Innovation Center of Advanced Functional Composite, Huaibei, 235000, Anhui

Highlights: • Novel I-(BiO){sub 2}CO{sub 3} was prepared by a facile chemical precipitation method. • I{sup −} ions impurity level located on the top of valence band of (BiO){sub 2}CO{sub 3}. • I{sup −} ions doping largely improved photocatalytic activity of I-(BiO){sub 2}CO{sub 3}. • I-(BiO){sub 2}CO{sub 3} displayed excellent photocharge separation efficiency. - Abstract: Novel I{sup −} ions doped (BiO){sub 2}CO{sub 3} (I-(BiO){sub 2}CO{sub 3}) photocatalysts were successfully synthesized via a facile chemical precipitation method. Under visible light (λ > 400 nm), I-(BiO){sub 2}CO{sub 3} displayed much higher activity for rhodamine B and dichlorophenol degradation than the undoped (BiO){submore » 2}CO{sub 3}. The pseudo-first-order rate constant k{sub app} of RhB degradation over 15.0% I-(BiO){sub 2}CO{sub 3} was 0.54 h{sup −1}, which is 11.3 times higher than that of (BiO){sub 2}CO{sub 3}. The doped I{sup −} ions formed an impurity level on the top of valence band of (BiO){sub 2}CO{sub 3} and induced much more visible light to be absorbed. The enhanced photocurrent and surface photovoltage properties were detected, which strongly ensures the efficient separation of electrons and holes in I-(BiO){sub 2}CO{sub 3} system under visible light. It provides a facile way to improve the photocatalytic activity of the wide-band-gap (BiO){sub 2}CO{sub 3} via intense doping effect of I{sup −} ions.« less

A Statistical Study of the Distribution and Dynamics of Icy Grains in the Enceladus Gas Plume by Cassini's Ion Neutral Mass Spectrometer

NASA Astrophysics Data System (ADS)

HSU, J.; Lai, I.; Ip, W.; Teolis, B. D.; Perryman, R.; Waite, J. H.

2013-12-01

A very interesting finding by the Ion Neutral Mass Spectrometer on Cassini is about the detection of tiny icy grains embedded in the Enceladus gas plume during close encounters of the Cassini spacecraft with this active icy satellite of Saturn. Entering of an icy grain into the antechamber of INMS would lead to the generation of a sharp spike superimposed on the countrate profile of the gas molecules in the mass channel under measurement. Employing Monte Carlo simulations and data analysis of the INMS instrument performance, Teolis et al. (2010) investigated the time histories of the 'dust spikes' and the associated icy grain density distributions along the paths of the E3 and E5 encounters, respectively. Following similar method, we have studied the corresponding dust measurements from the E7, E14, E17 and E18 flybys. The different encounter geometries allow us to have a better understanding of the relation between the source regions of the 'dust spikes' from INMS and the jet locations and directions identified by Spitale and Porco (2007). In addition, fitting of the gas plume density profiles provide constraints on the initial conditions of the gas outflow from which the trajectories of dust particles of different sizes could be computed and compared with the INMS measurements.

Chemical synthesis and characterization of chitosan/silver nanocomposites films and their potential antibacterial activity.

PubMed

Shah, Aamna; Hussain, Izhar; Murtaza, Ghulam

2018-05-12

This study provides the optimum preparation parameters for functional chitosan silver nanocomposite (CSN) films with promising antibacterial efficacy though prepared with very low silver nitrate (AgNO 3 ) concentration. Chitosan nano‑silver composites were fabricated by In-situ chemical method utilizing the reducing ability of sodium borohydride (NaBH 4 ) and afterward casted into films. Utilization of response surface methodology, NCSS, and SigmaPlot for the optimization of CSN and their predicted antibacterial efficacy assessment of the selected bacterial strains (standard and clinical) was the essential part of the study. The cumulative silver ions released from the CSN films was examined by AAS and was found pH dependent. The developed nanocomposite films exhibited strong antibacterial activity against ATCC strains of Gram-positive Staphylococcus aureus, Gram-negative bacteria (Pseudomonas aeruginosa) and clinically isolated strains of MRSA. The antibacterial activity CSN films were compared with three commercially available dressings (Aquacel Ag®, Bactigras®, and Kaltostat®) and Quench cream. Statistical analysis of the results indicated that the developed CSN films were equally or even more effective than commercial products. Thus the fabricated CSN films may act as a potential candidate to overcome the emerging antibiotic resistance particularly in hospital-acquired skin infections caused by MRSA. Copyright © 2018. Published by Elsevier B.V.

Sodium ion transport mechanisms in antiperovskite electrolytes Na 3OBr and Na 4OI 2: An in Situ neutron diffraction study

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

Zhu, Jinlong; Wang, Yonggang; Li, Shuai

Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-stat battery. In this work, the sodium ionic transport pathways of the parent compound Na 3OBr, as well as the modified layered antiperovskite Na 4OI 2, were studied and compared through temperature dependent neutron diffraction combined with the maximum entropy method. In the cubic Na 3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions ho within and among oxygen octahedra, and Br - ions are not involved in the tetragonal Namore » 4OI 2 antiperovskite, Na ions, which connect octahedra in the ab plane, have the lowest activation energy barrier. In conclusion, the transport of sodium ions along the c axis is assisted by I - ions.« less

Sodium ion transport mechanisms in antiperovskite electrolytes Na 3OBr and Na 4OI 2: An in Situ neutron diffraction study

DOE PAGES

Zhu, Jinlong; Wang, Yonggang; Li, Shuai; ...

2016-06-02

Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-stat battery. In this work, the sodium ionic transport pathways of the parent compound Na 3OBr, as well as the modified layered antiperovskite Na 4OI 2, were studied and compared through temperature dependent neutron diffraction combined with the maximum entropy method. In the cubic Na 3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions ho within and among oxygen octahedra, and Br - ions are not involved in the tetragonal Namore » 4OI 2 antiperovskite, Na ions, which connect octahedra in the ab plane, have the lowest activation energy barrier. In conclusion, the transport of sodium ions along the c axis is assisted by I - ions.« less

Application of a multivariate normal distribution methodology to the dissociation of doubly ionized molecules: The DMDS (CH3 -SS-CH3 ) case.

PubMed

Varas, Lautaro R; Pontes, F C; Santos, A C F; Coutinho, L H; de Souza, G G B

2015-09-15

The ion-ion-coincidence mass spectroscopy technique brings useful information about the fragmentation dynamics of doubly and multiply charged ionic species. We advocate the use of a matrix-parameter methodology in order to represent and interpret the entire ion-ion spectra associated with the ionic dissociation of doubly charged molecules. This method makes it possible, among other things, to infer fragmentation processes and to extract information about overlapped ion-ion coincidences. This important piece of information is difficult to obtain from other previously described methodologies. A Wiley-McLaren time-of-flight mass spectrometer was used to discriminate the positively charged fragment ions resulting from the sample ionization by a pulsed 800 eV electron beam. We exemplify the application of this methodology by analyzing the fragmentation and ionic dissociation of the dimethyl disulfide (DMDS) molecule as induced by fast electrons. The doubly charged dissociation was analyzed using the Multivariate Normal Distribution. The ion-ion spectrum of the DMDS molecule was obtained at an incident electron energy of 800 eV and was matrix represented using the Multivariate Distribution theory. The proposed methodology allows us to distinguish information among [CH n SH n ] + /[CH 3 ] + (n = 1-3) fragment ions in the ion-ion coincidence spectra using ion-ion coincidence data. Using the momenta balance methodology for the inferred parameters, a secondary decay mechanism is proposed for the [CHS] + ion formation. As an additional check on the methodology, previously published data on the SiF 4 molecule was re-analyzed with the present methodology and the results were shown to be statistically equivalent. The use of a Multivariate Normal Distribution allows for the representation of the whole ion-ion mass spectrum of doubly or multiply ionized molecules as a combination of parameters and the extraction of information among overlapped data. We have successfully applied this methodology to the analysis of the fragmentation of the DMDS molecule. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Precursor ion scanning-mass spectrometry for the determination of nitro functional groups in atmospheric particulate organic matter.

PubMed

Dron, Julien; Abidi, Ehgere; Haddad, Imad El; Marchand, Nicolas; Wortham, Henri

2008-06-23

An analytical method for the quantitative determination of the total nitro functional group (R-NO2) content in atmospheric particulate organic matter is developed. The method is based on the selectivity of NO2(-) (m/z 46) precursor ion scanning (PAR 46) by atmospheric pressure chemical ionization-tandem mass spectrometry (APCI-MS/MS). PAR 46 was experimented on 16 nitro compounds of different molecular structures and was compared with a neutral loss of NO (30 amu) technique in terms of sensitivity and efficiency to characterize the nitro functional groups. Covering a wider range of compounds, PAR 46 was preferred and applied to reference mixtures containing all the 16 compounds under study. Repeatability carried out using an original statistical approach, and calibration experiments were performed on the reference mixtures proven the suitability of the technique for quantitative measurements of nitro functional groups in samples of environmental interest with good accuracy. A linear range was obtained for concentrations ranging between 0.005 and 0.25 mM with a detection limit of 0.001 mM of nitro functional groups. Finally, the analytical error based on an original statistical approach applied to numerous reference mixtures was below 20%. Despite of potential artifacts related to nitro-alkanes and organonitrates, this new methodology offers a promising alternative to FT-IR measurements. The relevance of the method and its potentialities are demonstrated through its application to aerosols collected in the EUPHORE simulation chamber during o-xylene photooxidation experiments and in a suburban area of a French alpine valley during summer.

Mechanism of amido-thiourea catalyzed enantioselective imine hydrocyanation: transition state stabilization via multiple non-covalent interactions.

PubMed

Zuend, Stephan J; Jacobsen, Eric N

2009-10-28

An experimental and computational investigation of amido-thiourea promoted imine hydrocyanation has revealed a new and unexpected mechanism of catalysis. Rather than direct activation of the imine by the thiourea, as had been proposed previously in related systems, the data are consistent with a mechanism involving catalyst-promoted proton transfer from hydrogen isocyanide to imine to generate diastereomeric iminium/cyanide ion pairs that are bound to catalyst through multiple noncovalent interactions; these ion pairs collapse to form the enantiomeric alpha-aminonitrile products. This mechanistic proposal is supported by the observation of a statistically significant correlation between experimental and calculated enantioselectivities induced by eight different catalysts (P < 0.01). The computed models reveal a basis for enantioselectivity that involves multiple stabilizing and destabilizing interactions between substrate and catalyst, including thiourea-cyanide and amide-iminium interactions.

Dynamic properties of small-scale solar wind plasma fluctuations.

PubMed

Riazantseva, M O; Budaev, V P; Zelenyi, L M; Zastenker, G N; Pavlos, G P; Safrankova, J; Nemecek, Z; Prech, L; Nemec, F

2015-05-13

The paper presents the latest results of the studies of small-scale fluctuations in a turbulent flow of solar wind (SW) using measurements with extremely high temporal resolution (up to 0.03 s) of the bright monitor of SW (BMSW) plasma spectrometer operating on astrophysical SPECTR-R spacecraft at distances up to 350,000 km from the Earth. The spectra of SW ion flux fluctuations in the range of scales between 0.03 and 100 s are systematically analysed. The difference of slopes in low- and high-frequency parts of spectra and the frequency of the break point between these two characteristic slopes was analysed for different conditions in the SW. The statistical properties of the SW ion flux fluctuations were thoroughly analysed on scales less than 10 s. A high level of intermittency is demonstrated. The extended self-similarity of SW ion flux turbulent flow is constantly observed. The approximation of non-Gaussian probability distribution function of ion flux fluctuations by the Tsallis statistics shows the non-extensive character of SW fluctuations. Statistical characteristics of ion flux fluctuations are compared with the predictions of a log-Poisson model. The log-Poisson parametrization of the structure function scaling has shown that well-defined filament-like plasma structures are, as a rule, observed in the turbulent SW flows. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

TIME DEPENDENT NONEQUILIBRIUM IONIZATION OF TRANSITION REGION LINES OBSERVED WITH IRIS

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

Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H.

The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlationmore » varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.« less

Enhanced lithium-ion storage and hydrogen evolution reaction catalysis of MoS2/graphene nanoribbons hybrids with loose interlaced three-dimension structure

NASA Astrophysics Data System (ADS)

Wu, Xuan; Fan, Zihan; Ling, Xiaolun; Wu, Shuting; Chen, Xin; Hu, Xiaolin; Zhuang, Naifeng; Chen, Jianzhong

2018-06-01

Molybdenum disulfide hybridized with graphene nanoribbon (MoS2/GNR) was prepared by mild method. MoS2/GNR hybrids interlace loosely into a three-dimension structure. GNR hybridization can improve the dispersity of MoS2, reduce the grain size of MoS2 to 3-6 nm, increase the specific surface area, and broaden the interlamellar spacing of MoS2 (002) plane to 0.67-0.73 nm, which facilitates the transportation of Li+ ions for lithium-ion battery. MoS2/GNR hybrids have better cyclic durability, higher specific discharge capacity, and superior rate performance than MoS2. The electrocatalytic activity in hydrogen evolution reaction shows that MoS2/GNR hybrids have the lower overpotential and the larger current density with a negligible current loss after 2000 cycles. Hybridizing with GNRs enhances both the lithium-ion electrochemical storage and the electrocatalytic activity of MoS2. [Figure not available: see fulltext.

Structures and physical properties of gaseous metal cationized biological ions.

PubMed

Burt, Michael B; Fridgen, Travis D

2012-01-01

Metal chelation can alter the activity of free biomolecules by modifying their structures or stabilizing higher energy tautomers. In recent years, mass spectrometric techniques have been used to investigate the effects of metal complexation with proteins, nucleobases and nucleotides, where small conformational changes can have significant physiological consequences. In particular, infrared multiple photon dissociation spectroscopy has emerged as an important tool for determining the structure and reactivity of gas-phase ions. Unlike other mass spectrometric approaches, this method is able to directly resolve structural isomers using characteristic vibrational signatures. Other activation and dissociation methods, such as blackbody infrared radiative dissociation or collision-induced dissociation can also reveal information about the thermochemistry and dissociative pathways of these biological ions. This information can then be used to provide information about the structures of the ionic complexes under study. In this article, we review the use of gas-phase techniques in characterizing metal-bound biomolecules. Particular attention will be given to our own contributions, which detail the ability of metal cations to disrupt nucleobase pairs, direct the self-assembly of nucleobase clusters and stabilize non-canonical isomers of amino acids.

Numerical simulations of the first operational conditions of the negative ion test facility SPIDER

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

Serianni, G., E-mail: gianluigi.serianni@igi.cnr.it; Agostinetti, P.; Antoni, V.

2016-02-15

In view of the realization of the negative ion beam injectors for ITER, a test facility, named SPIDER, is under construction in Padova (Italy) to study and optimize production and extraction of negative ions. The present paper is devoted to the analysis of the expected first operations of SPIDER in terms of single-beamlet and multiple-beamlet simulations of the hydrogen beam optics in various operational conditions. The effectiveness of the methods adopted to compensate for the magnetic deflection of the particles is also assessed. Indications for a sequence of the experimental activities are obtained.

Solid-State Division progress report for period ending March 31, 1983

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

Green, P.H.; Watson, D.M.

1983-09-01

Progress and activities are reported on: theoretical solid-state physics (surfaces; electronic, vibrational, and magnetic properties; particle-solid interactions; laser annealing), surface and near-surface properties of solids (surface, plasma-material interactions, ion implantation and ion-beam mixing, pulsed-laser and thermal processing), defects in solids (radiation effects, fracture, impurities and defects, semiconductor physics and photovoltaic conversion), transport properties of solids (fast-ion conductors, superconductivity, mass and charge transport in materials), neutron scattering (small-angle scattering, lattice dynamics, magnetic properties, structure and instrumentation), and preparation and characterization of research materials (growth and preparative methods, nuclear waste forms, special materials). (DLC)

Numerical simulations of the first operational conditions of the negative ion test facility SPIDER

NASA Astrophysics Data System (ADS)

Serianni, G.; Agostinetti, P.; Antoni, V.; Baltador, C.; Cavenago, M.; Chitarin, G.; Marconato, N.; Pasqualotto, R.; Sartori, E.; Toigo, V.; Veltri, P.

2016-02-01

In view of the realization of the negative ion beam injectors for ITER, a test facility, named SPIDER, is under construction in Padova (Italy) to study and optimize production and extraction of negative ions. The present paper is devoted to the analysis of the expected first operations of SPIDER in terms of single-beamlet and multiple-beamlet simulations of the hydrogen beam optics in various operational conditions. The effectiveness of the methods adopted to compensate for the magnetic deflection of the particles is also assessed. Indications for a sequence of the experimental activities are obtained.

Application of machine/statistical learning, artificial intelligence and statistical experimental design for the modeling and optimization of methylene blue and Cd(ii) removal from a binary aqueous solution by natural walnut carbon.

PubMed

Mazaheri, H; Ghaedi, M; Ahmadi Azqhandi, M H; Asfaram, A

2017-05-10

Analytical chemists apply statistical methods for both the validation and prediction of proposed models. Methods are required that are adequate for finding the typical features of a dataset, such as nonlinearities and interactions. Boosted regression trees (BRTs), as an ensemble technique, are fundamentally different to other conventional techniques, with the aim to fit a single parsimonious model. In this work, BRT, artificial neural network (ANN) and response surface methodology (RSM) models have been used for the optimization and/or modeling of the stirring time (min), pH, adsorbent mass (mg) and concentrations of MB and Cd 2+ ions (mg L -1 ) in order to develop respective predictive equations for simulation of the efficiency of MB and Cd 2+ adsorption based on the experimental data set. Activated carbon, as an adsorbent, was synthesized from walnut wood waste which is abundant, non-toxic, cheap and locally available. This adsorbent was characterized using different techniques such as FT-IR, BET, SEM, point of zero charge (pH pzc ) and also the determination of oxygen containing functional groups. The influence of various parameters (i.e. pH, stirring time, adsorbent mass and concentrations of MB and Cd 2+ ions) on the percentage removal was calculated by investigation of sensitive function, variable importance rankings (BRT) and analysis of variance (RSM). Furthermore, a central composite design (CCD) combined with a desirability function approach (DFA) as a global optimization technique was used for the simultaneous optimization of the effective parameters. The applicability of the BRT, ANN and RSM models for the description of experimental data was examined using four statistical criteria (absolute average deviation (AAD), mean absolute error (MAE), root mean square error (RMSE) and coefficient of determination (R 2 )). All three models demonstrated good predictions in this study. The BRT model was more precise compared to the other models and this showed that BRT could be a powerful tool for the modeling and optimizing of removal of MB and Cd(ii). Sensitivity analysis (calculated from the weight of neurons in ANN) confirmed that the adsorbent mass and pH were the essential factors affecting the removal of MB and Cd(ii), with relative importances of 28.82% and 38.34%, respectively. A good agreement (R 2 > 0.960) between the predicted and experimental values was obtained. Maximum removal (R% > 99) was achieved at an initial dye concentration of 15 mg L -1 , a Cd 2+ concentration of 20 mg L -1 , a pH of 5.2, an adsorbent mass of 0.55 g and a time of 35 min.

Metrology conditions for thin layer activation in wear and corrosion studies

NASA Astrophysics Data System (ADS)

Lacroix, O.; Sauvage, T.; Blondiaux, G.; Racolta, P. M.; Popa-Simil, L.; Alexandreanu, B.

1996-02-01

Thin Layer Activation (TLA) is an ion beam technique. This method consists of an accelerated ion bombardment of the surface of interest of a machine part subjected to wear. Radioactive tracers are created by nuclear reactions in a well defined volume of material. Loss of material owing to wear, corrosion or abrasion phenomena is characterized by monitoring the resulting changes in radioactivity. For the industrial application of this method, special attention has been paid during irradiation to the range of activated thickness, yields and activation homogeneity and to on-line radioactivity measurements. There are two basic methods for measuring the material loss by TLA technique. One of them is based on remanant radioactivity measurements using a previously obtained calibration curve. The second is based on measuring the increasing radioactivity in the lubricant due to suspended wear particles. In this paper, we have chosen to present some calibration curves for both proton and deuteron irradiation of Fe, Cr, Cu, Ti and Ni samples. Thickness ranges are indicated and intrinsic error checking and calculational procedures are also presented. The article ends with a review of some typical experiments involving running-in programme optimization and lubricants certifying procedures.

Automated tandem mass spectrometry by orthogonal acceleration TOF data acquisition and simultaneous magnet scanning for the characterization of petroleum mixtures.

PubMed

Roussis, S G

2001-08-01

The automated acquisition of the product ion spectra of all precursor ions in a selected mass range by using a magnetic sector/orthogonal acceleration time-of-flight (oa-TOF) tandem mass spectrometer for the characterization of complex petroleum mixtures is reported. Product ion spectra are obtained by rapid oa-TOF data acquisition and simultaneous scanning of the magnet. An analog signal generator is used for the scanning of the magnet. Slow magnet scanning rates permit the accurate profiling of precursor ion peaks and the acquisition of product ion spectra for all isobaric ion species. The ability of the instrument to perform both high- and low-energy collisional activation experiments provides access to a large number of dissociation pathways useful for the characterization of precursor ions. Examples are given that illustrate the capability of the method for the characterization of representative petroleum mixtures. The structural information obtained by the automated MS/MS experiment is used in combination with high-resolution accurate mass measurement results to characterize unknown components in a polar extract of a refinery product. The exhaustive mapping of all precursor ions in representative naphtha and middle-distillate fractions is presented. Sets of isobaric ion species are separated and their structures are identified by interpretation from first principles or by comparison with standard 70-eV EI libraries of spectra. The utility of the method increases with the complexity of the samples.

Citropin 1.1 Trifluoroacetate to Chloride Counter-Ion Exchange in HCl-Saturated Organic Solutions: An Alternative Approach.

PubMed

Sikora, Karol; Neubauer, Damian; Jaśkiewicz, Maciej; Kamysz, Wojciech

2018-01-01

In view of the increasing interest in peptides in various market sectors, a stronger emphasis on topics related to their production has been seen. Fmoc-based solid phase peptide synthesis, although being fast and efficient, provides final products with significant amounts of trifluoroacetate ions in the form of either a counter-ion or an unbound impurity. Because of the proven toxicity towards cells and peptide activity inhibition, ion exchange to more biocompatible one is purposeful. Additionally, as most of the currently used counter-ion exchange techniques are time-consuming and burdened by peptide yield reduction risk, development of a new approach is still a sensible solution. In this study, we examined the potential of peptide counter-ion exchange using non-aqueous organic solvents saturated with HCl. Counter-ion exchange of a model peptide, citropin 1.1 (GLFDVIKKVASVIGGL-NH 2 ), for each solvent was conducted through incubation with subsequent evaporation under reduced pressure, dissolution in water and lyophilization. Each exchange was performed four times and compared to a reference method-lyophilization of the peptide from an 0.1 M HCl solution. The results showed superior counter-ion exchange efficiency for most of the organic solutions in relation to the reference method. Moreover, HCl-saturated acetonitrile and tert -butanol provided a satisfying exchange level after just one repetition. Thus, those two organic solvents can be potentially introduced into routine peptide counter-ion exchange.

Feasibility and Requirements Analysis of MIS for Operational Patrol Squadrons in the United States Navy.

DTIC Science & Technology

1981-12-01

with statistical data on the -est questions themselves and allows upgrading of the test ques-ion bank or changes in the method of presentation. (5...accessed to meet on-line inquires from users at the OMA, INA, and SSC levels, utilizing a number of different to access similar data. A query capability...technical directive and configured item capability * nonthly Maintanance Plan *Individual material Readiness List (I21RL) SPIE calibration Expand JCN4 Tracki

High Time-Resolved Kinetic Temperatures of Solar Wind Minor Ions Measured with SOHO/CELIAS/CTOF

NASA Astrophysics Data System (ADS)

Janitzek, N. P.; Berger, L.; Drews, C.; Wimmer-Schweingruber, R. F.

2017-12-01

Solar wind heavy ions with an atomic number Z > 2 are referred to as minor ions since they represent a fraction of less than one percent of all solar wind ions. They can be therefore regarded as test particles, only reacting to but not driving the dynamics of the solar wind plasma, which makes them a unique diagnostic tool for plasma wave phenomena both in the solar atmosphere and the extended heliosphere. In the past, several studies have investigated the kinetic temperatures of minor ions, but due to low counting statistics these studies are based on ion velocity distribution functions (VDFs) recorded over time periods of several hours. The Charge Time-Of-Flight (CTOF) mass spectrometer as part of the Charge, ELement and Isotope Analysis System (CELIAS) onboard the SOlar and Heliospheric Observatory (SOHO) provides solar wind heavy ion 1D radial VDFs with excellent charge state separation, an unprecedented cadence of 5 minutes and very high counting statistics, exceeding similar state-of-the-art instruments by a factor of ten. In our study, based on CTOF measurements at Langrangian point L1 between DOY 150 and DOY 220 in 1996, we investigate systematically the influence of the VDF time resolution on the derived kinetic temperatures for solar wind silicon and iron ions. The selected ion set spans a wide range of mass-per-charge from 3 amu/e < m/q < 8 amu/e. Therefore, it is suitable for the search of signatures of gyrofrequency-dependent heating processes resulting from the resonant interaction of heavy ions with ion-cyclotron waves.

Novel KCNQ2 channel activators discovered using fluorescence-based and automated patch-clamp-based high-throughput screening techniques

PubMed Central

Yue, Jin-feng; Qiao, Guan-hua; Liu, Ni; Nan, Fa-jun; Gao, Zhao-bing

2016-01-01

Aim: To establish an improved, high-throughput screening techniques for identifying novel KCNQ2 channel activators. Methods: KCNQ2 channels were stably expressed in CHO cells (KCNQ2 cells). Thallium flux assay was used for primary screening, and 384-well automated patch-clamp IonWorks Barracuda was used for hit validation. Two validated activators were characterized using a conventional patch-clamp recording technique. Results: From a collection of 80 000 compounds, the primary screening revealed a total of 565 compounds that potentiated the fluorescence signals in thallium flux assay by more than 150%. When the 565 hits were examined in IonWorks Barracuda, 38 compounds significantly enhanced the outward currents recorded in KCNQ2 cells, and were confirmed as KCNQ2 activators. In the conventional patch-clamp recordings, two validated activators ZG1732 and ZG2083 enhanced KCNQ2 currents with EC50 values of 1.04±0.18 μmol/L and 1.37±0.06 μmol/L, respectively. Conclusion: The combination of thallium flux assay and IonWorks Barracuda assay is an efficient high-throughput screening (HTS) route for discovering KCNQ2 activators. PMID:26725738

ERRORS IN APPLYING LOW IONIC-STRENGTH ACTIVITY COEFFICIENT ALGORITHMS TO HIGHER IONIC-STRENGTH AQUATIC MEDIA

EPA Science Inventory

The toxicological and regulatory communities are currently exploring the use of the free-ion-activity (FIA) model both alone and in conjunction with the biotic ligand model (BLM) as a means of reducing uncertainties in current methods for assessing metals bioavailability from aqu...

Clinical implementation and error sensitivity of a 3D quality assurance protocol for prostate and thoracic IMRT

PubMed Central

Cotter, Christopher; Turcotte, Julie Catherine; Crawford, Bruce; Sharp, Gregory; Mah'D, Mufeed

2015-01-01

This work aims at three goals: first, to define a set of statistical parameters and plan structures for a 3D pretreatment thoracic and prostate intensity‐modulated radiation therapy (IMRT) quality assurance (QA) protocol; secondly, to test if the 3D QA protocol is able to detect certain clinical errors; and third, to compare the 3D QA method with QA performed with single ion chamber and 2D gamma test in detecting those errors. The 3D QA protocol measurements were performed on 13 prostate and 25 thoracic IMRT patients using IBA's COMPASS system. For each treatment planning structure included in the protocol, the following statistical parameters were evaluated: average absolute dose difference (AADD), percent structure volume with absolute dose difference greater than 6% (ADD6), and 3D gamma test. To test the 3D QA protocol error sensitivity, two prostate and two thoracic step‐and‐shoot IMRT patients were investigated. Errors introduced to each of the treatment plans included energy switched from 6 MV to 10 MV, multileaf collimator (MLC) leaf errors, linac jaws errors, monitor unit (MU) errors, MLC and gantry angle errors, and detector shift errors. QA was performed on each plan using a single ion chamber and 2D array of ion chambers for 2D and 3D QA. Based on the measurements performed, we established a uniform set of tolerance levels to determine if QA passes for each IMRT treatment plan structure: maximum allowed AADD is 6%; maximum 4% of any structure volume can be with ADD6 greater than 6%, and maximum 4% of any structure volume may fail 3D gamma test with test parameters 3%/3 mm DTA. Out of the three QA methods tested the single ion chamber performed the worst by detecting 4 out of 18 introduced errors, 2D QA detected 11 out of 18 errors, and 3D QA detected 14 out of 18 errors. PACS number: 87.56.Fc PMID:26699299

Engineering catalytic activity via ion beam bombardment of catalyst supports for vertically aligned carbon nanotube growth

DOE PAGES

Islam, A. E.; Zakharov, D.; Stach, E. A.; ...

2015-09-16

Carbon nanotube growth depends on the catalytic activity of metal nanoparticles on alumina or silica supports. The control on catalytic activity is generally achieved by variations in water concentration, carbon feed, and sample placement on a few types of alumina or silica catalyst supports obtained via thin film deposition. We have recently expanded the choice of catalyst supports by engineering inactive substrates like c-cut sapphire via ion beam bombardment. The deterministic control on the structure and chemistry of catalyst supports obtained by tuning the degree of beam-induced damage have enabled better regulation of the activity of Fe catalysts only inmore » the ion beam bombarded areas and hence enabled controllable super growth of carbon nanotubes. A wide range of surface characterization techniques were used to monitor the catalytically active surface engineered via ion beam bombardment. The proposed method offers a versatile way to control carbon nanotube growth in patterned areas and also enhances the current understanding of the growth process. As a result, with the right choice of water concentration, carbon feed and sample placement, engineered catalyst supports may extend the carbon nanotube growth yield to a level that is even higher than the ones reported here, and thus offers promising applications of carbon nanotubes in electronics, heat exchanger, and energy storage.« less

Determination of acrylamide in drinking water by large-volume direct injection and ion-exclusion chromatography-mass spectrometry.

PubMed

Cavalli, S; Polesello, S; Saccani, G

2004-06-11

Acrylamide, a known neurotoxin and putative human carcinogen, has been included among the substances to be monitored in drinking water according to the European Union Directive 98/83 on potable water. This paper reports a new method based on the combination of ion-exclusion chromatographic separation and MS detection. Samples of drinking water have been directly injected in the microbore ICE-AS1 column and detected in the selected-ion monitoring mode by a single quadrupole system with electrospray ionization. Chromatographic conditions, such as eluent composition and flow rate, have been optimized by a central composite design experiment. Statistical analysis of data showed that the amount of acetonitrile fraction in the eluent mixture, composed by acetonitrile and formic acid solution, is the variable that most influences retention of the acrylamide peak. After optimization of MS detection parameters, this method has been validated for spiked drinking water samples. The effect of large-volume injection (up to 500 microl) has been also explored. Linearity was evaluated from 0.5 to 5 microg l(-1). Repeatability, expressed as R.S.D., was 16 and 12% at 0.5 and 1 microg l(-1) respectively. The limit of detection was 0.20 ppb with 500 microl injection volume.

One-channel Cell-attached Patch-clamp Recording

PubMed Central

Maki, Bruce A.; Cummings, Kirstie A.; Paganelli, Meaghan A.; Murthy, Swetha E.; Popescu, Gabriela K.

2014-01-01

Ion channel proteins are universal devices for fast communication across biological membranes. The temporal signature of the ionic flux they generate depends on properties intrinsic to each channel protein as well as the mechanism by which it is generated and controlled and represents an important area of current research. Information about the operational dynamics of ion channel proteins can be obtained by observing long stretches of current produced by a single molecule. Described here is a protocol for obtaining one-channel cell-attached patch-clamp current recordings for a ligand gated ion channel, the NMDA receptor, expressed heterologously in HEK293 cells or natively in cortical neurons. Also provided are instructions on how to adapt the method to other ion channels of interest by presenting the example of the mechano-sensitive channel PIEZO1. This method can provide data regarding the channel’s conductance properties and the temporal sequence of open-closed conformations that make up the channel’s activation mechanism, thus helping to understand their functions in health and disease. PMID:24961614

Multifunctional properties of polysaccharides from Dalbergia sissoo, Tectona grandis and Mimosa diplotricha.

PubMed

Rana, Vikas; Das, Manuj K; Gogoi, Satyabrat; Kumar, Vineet

2014-02-15

Three water-soluble polysaccharides were isolated and purified from the leaves of Dalbergia sissoo Roxb. (DSLP), bark of Tectona grandis L. f (TGBP) and seeds of Mimosa diplotricha var. diplotricha Sauvalle (MDSP). Antioxidant and moisture preserving activities of these three polysaccharides were investigated using in vitro methods. The antioxidant activities studied include superoxide (O2(*-)), 1,1-diphenyl-2-picrylhydrazyl (DPPH*), 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid) (ABTS(*+)), hydroxyl (OH(-)), nitric oxide (NO*), N,N-dimethyl-p-phenylenediamine (DMPD(+)) radical scavenging activities, ferric ion (Fe(3+)) reducing ability, ferrous ion (Fe(2+)) chelating and lipid peroxidation activities. The study revealed higher activity of TGBP in all antioxidant assays than DSLP and MDSP. Further, the three polysaccharides showed effective moisture retention properties in comparison with hyaluronic acid and glycerol. Copyright © 2013 Elsevier Ltd. All rights reserved.

Multiple imaging mode X-ray computed tomography for distinguishing active and inactive phases in lithium-ion battery cathodes

NASA Astrophysics Data System (ADS)

Komini Babu, Siddharth; Mohamed, Alexander I.; Whitacre, Jay F.; Litster, Shawn

2015-06-01

This paper presents the use of nanometer scale resolution X-ray computed tomography (nano-CT) in the three-dimensional (3D) imaging of a Li-ion battery cathode, including the separate volumes of active material, binder plus conductive additive, and pore. The different high and low atomic number (Z) materials are distinguished by sequentially imaging the lithium cobalt oxide electrode in absorption and then Zernike phase contrast modes. Morphological parameters of the active material and the additives are extracted from the 3D reconstructions, including the distribution of contact areas between the additives and the active material. This method could provide a better understanding of the electric current distribution and structural integrity of battery electrodes, as well as provide detailed geometries for computational models.

Watching fat digestion: a microscopic method assessing intraluminal lipolysis.

PubMed

Alliet, P; Eggermont, E

1990-01-01

We investigated the utility of a microscopic method assessing lipolytic activity of duodenal fluid. The method is based on evaluating microscopically physicochemical changes along time when olive oil is mixed with duodenal fluid in the presence of excess bile salts (13 mM) and calcium ions (8 mM) at pH 6.5. Data are analyzed on duodenal aspirations from 155 children referred for failure to thrive or gastrointestinal disorders. The "fat digestion index" (FDI) is the percentage of intact olive oil droplets that underwent complete hydrolysis or are transformed into amorphous reticular bodies (ARB) at steady state. In all patients with proven exocrine pancreatic disorder, a FDI less than 25% was found. This value was thus considered as a cut-off value. When no microscopic lipolysis (FDI = 0) was observed, exocrine pancreatic enzyme assays are suggestive for a total exocrine pancreatic insufficiency. In the group of children with FDI ranging 5-25%, however, no statistical difference in exocrine pancreatic enzymes could be found, as compared to control values. Our tests thus evaluate fat digestion in a dynamic way. It further seems to give additional information on intraluminal lipolysis as compared to exocrine pancreatic enzyme concentrations, since it gives an idea about the integrated action of (co)lipase and bile salts.

Sampling based State of Health estimation methodology for Li-ion batteries

NASA Astrophysics Data System (ADS)

Camci, Fatih; Ozkurt, Celil; Toker, Onur; Atamuradov, Vepa

2015-03-01

Storage and management of energy is becoming a more and more important problem every day, especially for electric and hybrid vehicle applications. Li-ion battery is one of the most important technological alternatives for high capacity energy storage and related industrial applications. State of Health (SoH) of Li-ion batteries plays a critical role in their deployment from economic, safety, and availability aspects. Most, if not all, of the studies related to SoH estimation focus on the measurement of a new parameter/physical phenomena related to SoH, or development of new statistical/computational methods using several parameters. This paper presents a new approach for SoH estimation for Li-ion battery systems with multiple battery cells: The main idea is a new circuit topology which enables separation of battery cells into two groups, main and test batteries, whenever a SoH related measurement is to be conducted. All battery cells will be connected to the main battery during the normal mode of operation. When a measurement is needed for SoH estimation, some of the cells will be separated from the main battery, and SoH estimation related measurements will be performed on these units. Compared to classical SoH measurement methods which deal with whole battery system, the proposed method estimates the SoH of the system by separating a small but representative set of cells. While SoH measurements are conducted on these isolated cells, remaining cells in the main battery continue to function in normal mode, albeit in slightly reduced performance levels. Preliminary experimental results are quite promising, and validate the feasibility of the proposed approach. Technical details of the proposed circuit architecture are also summarized in the paper.

Power-law distributions for a trapped ion interacting with a classical buffer gas.

PubMed

DeVoe, Ralph G

2009-02-13

Classical collisions with an ideal gas generate non-Maxwellian distribution functions for a single ion in a radio frequency ion trap. The distributions have power-law tails whose exponent depends on the ratio of buffer gas to ion mass. This provides a statistical explanation for the previously observed transition from cooling to heating. Monte Carlo results approximate a Tsallis distribution over a wide range of parameters and have ab initio agreement with experiment.

Teaching Research Methods and Statistics in eLearning Environments: Pedagogy, Practical Examples, and Possible Futures

PubMed Central

Rock, Adam J.; Coventry, William L.; Morgan, Methuen I.; Loi, Natasha M.

2016-01-01

Generally, academic psychologists are mindful of the fact that, for many students, the study of research methods and statistics is anxiety provoking (Gal et al., 1997). Given the ubiquitous and distributed nature of eLearning systems (Nof et al., 2015), teachers of research methods and statistics need to cultivate an understanding of how to effectively use eLearning tools to inspire psychology students to learn. Consequently, the aim of the present paper is to discuss critically how using eLearning systems might engage psychology students in research methods and statistics. First, we critically appraise definitions of eLearning. Second, we examine numerous important pedagogical principles associated with effectively teaching research methods and statistics using eLearning systems. Subsequently, we provide practical examples of our own eLearning-based class activities designed to engage psychology students to learn statistical concepts such as Factor Analysis and Discriminant Function Analysis. Finally, we discuss general trends in eLearning and possible futures that are pertinent to teachers of research methods and statistics in psychology. PMID:27014147

Teaching Research Methods and Statistics in eLearning Environments: Pedagogy, Practical Examples, and Possible Futures.

PubMed

Rock, Adam J; Coventry, William L; Morgan, Methuen I; Loi, Natasha M

2016-01-01

Generally, academic psychologists are mindful of the fact that, for many students, the study of research methods and statistics is anxiety provoking (Gal et al., 1997). Given the ubiquitous and distributed nature of eLearning systems (Nof et al., 2015), teachers of research methods and statistics need to cultivate an understanding of how to effectively use eLearning tools to inspire psychology students to learn. Consequently, the aim of the present paper is to discuss critically how using eLearning systems might engage psychology students in research methods and statistics. First, we critically appraise definitions of eLearning. Second, we examine numerous important pedagogical principles associated with effectively teaching research methods and statistics using eLearning systems. Subsequently, we provide practical examples of our own eLearning-based class activities designed to engage psychology students to learn statistical concepts such as Factor Analysis and Discriminant Function Analysis. Finally, we discuss general trends in eLearning and possible futures that are pertinent to teachers of research methods and statistics in psychology.

Bayesian Normalization Model for Label-Free Quantitative Analysis by LC-MS

PubMed Central

Nezami Ranjbar, Mohammad R.; Tadesse, Mahlet G.; Wang, Yue; Ressom, Habtom W.

2016-01-01

We introduce a new method for normalization of data acquired by liquid chromatography coupled with mass spectrometry (LC-MS) in label-free differential expression analysis. Normalization of LC-MS data is desired prior to subsequent statistical analysis to adjust variabilities in ion intensities that are not caused by biological differences but experimental bias. There are different sources of bias including variabilities during sample collection and sample storage, poor experimental design, noise, etc. In addition, instrument variability in experiments involving a large number of LC-MS runs leads to a significant drift in intensity measurements. Although various methods have been proposed for normalization of LC-MS data, there is no universally applicable approach. In this paper, we propose a Bayesian normalization model (BNM) that utilizes scan-level information from LC-MS data. Specifically, the proposed method uses peak shapes to model the scan-level data acquired from extracted ion chromatograms (EIC) with parameters considered as a linear mixed effects model. We extended the model into BNM with drift (BNMD) to compensate for the variability in intensity measurements due to long LC-MS runs. We evaluated the performance of our method using synthetic and experimental data. In comparison with several existing methods, the proposed BNM and BNMD yielded significant improvement. PMID:26357332

Implementing Patch Clamp and Live Fluorescence Microscopy to Monitor Functional Properties of Freshly Isolated PKD Epithelium

PubMed Central

Pavlov, Tengis S.; Ilatovskaya, Daria V.; Palygin, Oleg; Levchenko, Vladislav; Pochynyuk, Oleh; Staruschenko, Alexander

2015-01-01

Cyst initiation and expansion during polycystic kidney disease is a complex process characterized by abnormalities in tubular cell proliferation, luminal fluid accumulation and extracellular matrix formation. Activity of ion channels and intracellular calcium signaling are key physiologic parameters which determine functions of tubular epithelium. We developed a method suitable for real-time observation of ion channels activity with patch-clamp technique and registration of intracellular Ca2+ level in epithelial monolayers freshly isolated from renal cysts. PCK rats, a genetic model of autosomal recessive polycystic kidney disease (ARPKD), were used here for ex vivo analysis of ion channels and calcium flux. Described here is a detailed step-by-step procedure designed to isolate cystic monolayers and non-dilated tubules from PCK or normal Sprague Dawley (SD) rats, and monitor single channel activity and intracellular Ca2+ dynamics. This method does not require enzymatic processing and allows analysis in a native setting of freshly isolated epithelial monolayer. Moreover, this technique is very sensitive to intracellular calcium changes and generates high resolution images for precise measurements. Finally, isolated cystic epithelium can be further used for staining with antibodies or dyes, preparation of primary cultures and purification for various biochemical assays. PMID:26381526

Bose condensation of nuclei in heavy ion collisions

NASA Technical Reports Server (NTRS)

Tripathi, Ram K.; Townsend, Lawrence W.

1994-01-01

Using a fully self-consistent quantum statistical model, we demonstrate the possibility of Bose condensation of nuclei in heavy ion collisions. The most favorable conditions of high densities and low temperatures are usually associated with astrophysical processes and may be difficult to achieve in heavy ion collisions. Nonetheless, some suggestions for the possible experimental verification of the existence of this phenomenon are made.

An Efficient Statistical Method to Compute Molecular Collisional Rate Coefficients

NASA Astrophysics Data System (ADS)

Loreau, Jérôme; Lique, François; Faure, Alexandre

2018-01-01

Our knowledge about the “cold” universe often relies on molecular spectra. A general property of such spectra is that the energy level populations are rarely at local thermodynamic equilibrium. Solving the radiative transfer thus requires the availability of collisional rate coefficients with the main colliding partners over the temperature range ∼10–1000 K. These rate coefficients are notoriously difficult to measure and expensive to compute. In particular, very few reliable collisional data exist for inelastic collisions involving reactive radicals or ions. In this Letter, we explore the use of a fast quantum statistical method to determine molecular collisional excitation rate coefficients. The method is benchmarked against accurate (but costly) rigid-rotor close-coupling calculations. For collisions proceeding through the formation of a strongly bound complex, the method is found to be highly satisfactory up to room temperature. Its accuracy decreases with decreasing potential well depth and with increasing temperature, as expected. This new method opens the way to the determination of accurate inelastic collisional data involving key reactive species such as {{{H}}}3+, H2O+, and H3O+ for which exact quantum calculations are currently not feasible.

Preparation of NASICON-Type Nanosized Solid Electrolyte Li1.4Al0.4Ti1.6(PO4)3 by Evaporation-Induced Self-Assembly for Lithium-Ion Battery

NASA Astrophysics Data System (ADS)

Liu, Xingang; Fu, Ju; Zhang, Chuhong

2016-12-01

A simple and practicable evaporation-induced self-assembly (EISA) method is introduced for the first time to prepare nanosized solid electrolyte Li1.4Al0.4Ti1.6(PO4)3 (LATP) for all-solid-state lithium-ion batteries. A pure Na+ super ion conductor (NASICON) phase is confirmed by X-ray diffraction (XRD) analysis, and its primary particle size is down to 70 nm by optimizing evaporation rate of the solvent. Excellent room temperature bulk and total lithium-ion conductivities of 2.09 × 10-3 S cm-1 and 3.63 × 10-4 S cm-1 are obtained, with an ion-hopping activation energy as low as 0.286 eV.

Incorporation of the statistical multi-fragmentation model in PHITS and its application for simulation of fragmentation by heavy ions and protons

NASA Astrophysics Data System (ADS)

Ogawa, Tatsuhiko; Sato, Tatsuhiko; Hashimoto, Shintaro; Niita, Koji

2014-06-01

The fragmentation reactions of relativistic-energy nucleus-nucleus and proton-nucleus collisions were simulated using the Statistical Multi-fragmentation Model (SMM) incorporated with the Particle and Heavy Ion Transport code System (PHITS). The comparisons of calculated cross-sections with literature data showed that PHITS-SMM predicts the fragmentation cross-sections of heavy nuclei up to two orders of magnitude more accurately than PHITS for heavy-ion-induced reactions. For proton-induced reactions, noticeable improvements are observed for interactions of the heavy target with protons at an energy greater than 1 GeV. Therefore, consideration for multi-fragmentation reactions is necessary for the accurate simulation of energetic fragmentation reactions of heavy nuclei.

Lead recovery from scrap cathode ray tube funnel glass by hydrothermal sulphidisation.

PubMed

Yuan, Wenyi; Meng, Wen; Li, Jinhui; Zhang, Chenglong; Song, Qingbin; Bai, Jianfeng; Wang, Jingwei; Li, Yingshun

2015-10-01

This research focused on the application of the hydrothermal sulphidisation method to separate lead from scrap cathode ray tube funnel glass. Prior to hydrothermal treatment, the cathode ray tube funnel glass was pretreated by mechanical activation. Under hydrothermal conditions, hydroxyl ions (OH(-)) were generated through an ion exchange reaction between metal ions in mechanically activated funnel glass and water, to accelerate sulphur disproportionation; no additional alkaline compound was needed. Lead contained in funnel glass was converted to lead sulphide with high efficiency. Temperature had a significant effect on the sulphidisation rate of lead in funnel glass, which increased from 25% to 90% as the temperature increased from 100 °C to 300 °C. A sulphidisation rate of 100% was achieved at a duration of 8 h at 300 °C. This process of mechanical activation and hydrothermal sulphidisation is efficient and promising for the treatment of leaded glass. © The Author(s) 2015.

Gas chromatography-mass spectrometry analysis of di-n-octyl disulfide in a straight oil metalworking fluid: application of differential permeation and Box-Cox transformation.

PubMed

Xu, Wenhai; Que Hee, Shane S

2006-01-06

The aim of this study was to identify and quantify an unknown peak in the chromatogram of a very complex mixture, a straight oil metalworking fluid (MWF). The fraction that permeated through a thin nitrile polymer membrane had less mineral oil background than the original MWF did at the retention time of the unknown peak, thus facilitating identification by total ion current (TIC) gas chromatography-mass spectrometry (GC-MS). The peak proved to be di-n-octyl disulfide (DOD) through retention time and mass spectral comparisons. Quantitation of DOD was by extracted ion chromatogram analysis of the DOD molecular ion (mass-to-charge ratio (m/z) 290), and of the m/z 71 ion for the internal standard, n-triacontane. Linear models of the area ratio (y) of these two ions versus DOD concentration showed a systematic negative bias at low concentrations, a common occurrence in analysis. The linear model of y(0.8) (from Box-Cox power transformation) versus DOD concentration showed negligible bias from the lowest measured standard of 1.51 mg/L to the highest concentration tested at 75.5 mg/L. The intercept did not differ statistically from zero. The concentration of DOD in the MWF was then calculated to be 0.398+/-0.034% (w/w) by the internal standard method, and 0.387+/-0.036% (w/w) by the method of standard additions. These two results were not significantly different at p < or = 0.05. The Box-Cox transformation is therefore recommended when the data for standards are non-linear.

The measurable heat flux that accompanies active transport by Ca2+-ATPase.

PubMed

Bedeaux, Dick; Kjelstrup, Signe

2008-12-28

We present a new mesoscopic basis which can be used to derive flux equations for the forward and reverse mode of operation of ion-pumps. We obtain a description of the fluxes far from global equilibrium. An asymmetric set of transport coefficients is obtained, by assuming that the chemical reaction as well as the ion transports are activated, and that the enzyme has a temperature independent of the activation coordinates. Close to global equilibrium, the description reduces to the well known one from non-equilibrium thermodynamics with a symmetric set of transport coefficients. We show how the measurable heat flux and the heat production under isothermal conditions, as well as thermogenesis, can be defined. Thermogenesis is defined via the onset of the chemical reaction or ion transports by a temperature drop. A prescription has been given for how to determine transport coefficients on the mesocopic level, using the macroscopic coefficient obtained from measurements, the activation enthalpy, and a proper probability distribution. The method may give new impetus to a long-standing unsolved transport problem in biophysics.

General Theories of Chemical Disinfection and Sterilization of Sludge--Part 3.

ERIC Educational Resources Information Center

Wang, Mu Hao; And Others

1978-01-01

A general discussion of sewage sterilization methods, including techniques using pH, Chlorine, Chlorine Dioxide, Ozone, Iodine and Bromine, metal ions, and cationic surface active agents is presented. (MDR)

Modification of gold nanoparticle loaded on activated carbon with bis(4-methoxysalicylaldehyde)-1,2-phenylenediamine as new sorbent for enrichment of some metal ions.

PubMed

Karimipour, Gholamreza; Ghaedi, Mehrorang; Sahraei, Reza; Daneshfar, Ali; Biyareh, Mehdi Nejati

2012-01-01

In this study, a new sorbent based on the gold nanoparticle loaded in activated carbon (Au-NP-AC) was synthesized and modified by bis(4-methoxy salicylaldehyde)-1,2-phenylenediamine (BMSAPD). This sorbent, which is abbreviated as Au-NP-AC-BMSAPD, has been applied for the enrichment and preconcentration of trace amounts of Co(2+), Cu(2+), Ni(2+), Fe(2+), Pb(2+), and Zn(2+) ions in real samples. All metal ions under study were retained on the Au-NP-AC-BMSAPD sorbent by complexation of the ions with the BMSAPD ligand, providing an efficient preconcentration fashion. The retained metal ions were then eluted from the sorbent by HNO(3) and detected by flame atomic absorption spectrometry. The analytical parameters including pH, amount of ligand, and the nature of the eluent and solid phase were evaluated to obtain the optimum condition for the preconcentration factor. Following the optimum conditions, a preconcentration factor of 200 was obtained for all the metal ions under study with detection limits of 1.4-2.6 ng mL(-1). The method has been successfully applied for the extraction and determination of the ion content in the same real samples with recoveries in the range of 95-99.6% and a relative standard deviation lower than 4.0%.

Eu 3+-doped wide band gap Zn 2SnO 4 semiconductor nanoparticles: Structure and luminescence

DOE PAGES

Dimitrievska, Mirjana; Ivetić, Tamara B.; Litvinchuk, Alexander P.; ...

2016-08-03

Nanocrystalline Zn 2SnO 4 powders doped with Eu 3+ ions were synthesized via a mechanochemical solid-state reaction method followed by postannealing in air at 1200 °C. X-ray diffraction (XRD), energy-dispersive X-ray (EDX), and Raman and photoluminescence (PL) spectroscopies provide convincing evidence for the incorporation of Eu 3+ ions into the host matrix on noncentrosymmetric sites of the cubic inverse spinel lattice. Microstructural analysis shows that the crystalline grain size decreases with the addition of Eu 3+. Formation of a nanocrystalline Eu 2Sn 2O 7 secondary phase is also observed. Luminescence spectra of Eu 3+-doped samples show several emissions, including narrow-bandmore » magnetic dipole emission at 595 nm and electric dipole emission at 615 nm of the Eu 3+ ions. Excitation spectra and lifetime measurements suggest that Eu 3+ ions are incorporated at only one symmetry site. According to the crystal field theory, it is assumed that Eu 3+ ions participate at octahedral sites of Zn 2+ or Sn 4+ under a weak crystal field, rather than at the tetrahedral sites of Zn2+, because of the high octahedral stabilization energy for Eu 3+. Activation of symmetry forbidden (IR-active and silent) modes is observed in the Raman scattering spectra of both pure and doped samples, indicating a disorder of the cation sublattice of Zn 2SnO 4 nanocrystallites. These results were further supported by the first principle lattice dynamics calculations. The spinel-type Zn 2SnO 4 shows effectiveness in hosting Eu 3+ ions, which could be used as a prospective green/red emitter. As a result, this work also illustrates how sustainable and simple preparation methods could be used for effective engineering of material properties.« less

An Accurate Methodology to detect Leaching of Nickel and Chromium Ions in the Initial Phase of Orthodontic Treatment: An in vivo Study.

PubMed

Kumar, R Vinoth; Rajvikram, N; Rajakumar, P; Saravanan, R; Deepak, V Arun; Vijaykumar, V

2016-03-01

The aim of this study was to evaluate the release of nickel and chromium ions in human saliva during fixed orthodontic therapy. Ten patients with Angle's Class-I malocclusion with bimaxillary protrusion without any metal restorations or crowns and with all the permanent teeth were selected. Five male patients and five female patients in the age group range of 14 to 23 years were scheduled for orthodontic treatment with first premolar extraction. Saliva samples were collected in three stages: sample 1, before orthodontic treatment; sample 2, after 10 days of bonding sample; and sample 3, after 1 month of bonding. The samples were analyzed for the following metals nickel and chromium using inductively coupled plasma optical emission spectrometry (ICP-OES). The levels of nickel and chromium were statistically significant, while nickel showed a gradual increase in the first 10 days and a decline thereafter. Chromium showed a gradual increase and was statistically significant on the 30th day. There was greatest release of ions during the first 10 days and a gradual decline thereafter. Control group had traces of nickel and chromium. While comparing levels of nickel in saliva, there was a significant rise from baseline to 10th and 30th-day sample, which was statistically significant. While comparing 10th day to that of 30th day, there was no statistical significance. The levels of chromium ion in the saliva were more in 30th day, and when comparing 10th-day sample with 30th day, there was statistical significance. Nickel and chromium levels were well within the permissible levels. However, some hypersensitive individuals may be allergic to this minimal permissible level.

A newly validated and characterized spectrophotometric method for determination of a three water pollutants metal ions

NASA Astrophysics Data System (ADS)

Mohamed, Marwa E.; Frag, Eman Y. Z.; Mohamed, Mona A.

2018-01-01

A simple, fast and accurate spectrophotometric method had been developed to determine lead (II), chromium (III) and barium (II) ions in pure forms and in spiked water samples using thoron (THO) as a reagent forming colored complexes. It was found that the formed complexes absorbed maximally at 539, 540 and 538 nm for Pb(II)-THO, Cr(III)-THO and Ba(II)-THO complexes, respectively. The optimum experimental conditions for these complexes had been studied carefully. Beer's law was obeyed in the range 1-35, 1-70, and 1-45 μg mL- 1 for Pb (II), Cr(III) and Ba(II) ions with THO reagent, respectively. Different parameters such as linearity, selectivity, recovery, limits of quantification and detection, precision and accuracy were also evaluated in order to validate the proposed method. The results showed that, THO was effective in simultaneous determination of Pb(II), Cr(III) and Ba(III) ions in pure forms and in spiked water samples. Also, the results of the proposed method were compared with that obtained from atomic absorption spectrometry. The isolated solid complexes had been characterized using elemental analysis, X-ray powder diffraction (XRD), IR, mass spectrometry and TD-DFT calculations. Their biological activities were investigated against different types of bacteria and fungi organisms.

Fabrication and characterization of a co-planar detector in diamond for low energy single ion implantation

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

Abraham, John Bishoy Sam; Pacheco, Jose L.; Aguirre, Brandon Adrian

2016-08-09

We demonstrate low energy single ion detection using a co-planar detector fabricated on a diamond substrate and characterized by ion beam induced charge collection. Histograms are taken with low fluence ion pulses illustrating quantized ion detection down to a single ion with a signal-to-noise ratio of approximately 10. We anticipate that this detection technique can serve as a basis to optimize the yield of single color centers in diamond. In conclusion, the ability to count ions into a diamond substrate is expected to reduce the uncertainty in the yield of color center formation by removing Poisson statistics from the implantationmore » process.« less

Clinical evaluation of 4D PET motion compensation strategies for treatment verification in ion beam therapy

NASA Astrophysics Data System (ADS)

Gianoli, Chiara; Kurz, Christopher; Riboldi, Marco; Bauer, Julia; Fontana, Giulia; Baroni, Guido; Debus, Jürgen; Parodi, Katia

2016-06-01

A clinical trial named PROMETHEUS is currently ongoing for inoperable hepatocellular carcinoma (HCC) at the Heidelberg Ion Beam Therapy Center (HIT, Germany). In this framework, 4D PET-CT datasets are acquired shortly after the therapeutic treatment to compare the irradiation induced PET image with a Monte Carlo PET prediction resulting from the simulation of treatment delivery. The extremely low count statistics of this measured PET image represents a major limitation of this technique, especially in presence of target motion. The purpose of the study is to investigate two different 4D PET motion compensation strategies towards the recovery of the whole count statistics for improved image quality of the 4D PET-CT datasets for PET-based treatment verification. The well-known 4D-MLEM reconstruction algorithm, embedding the motion compensation in the reconstruction process of 4D PET sinograms, was compared to a recently proposed pre-reconstruction motion compensation strategy, which operates in sinogram domain by applying the motion compensation to the 4D PET sinograms. With reference to phantom and patient datasets, advantages and drawbacks of the two 4D PET motion compensation strategies were identified. The 4D-MLEM algorithm was strongly affected by inverse inconsistency of the motion model but demonstrated the capability to mitigate the noise-break-up effects. Conversely, the pre-reconstruction warping showed less sensitivity to inverse inconsistency but also more noise in the reconstructed images. The comparison was performed by relying on quantification of PET activity and ion range difference, typically yielding similar results. The study demonstrated that treatment verification of moving targets could be accomplished by relying on the whole count statistics image quality, as obtained from the application of 4D PET motion compensation strategies. In particular, the pre-reconstruction warping was shown to represent a promising choice when combined with intra-reconstruction smoothing.

Does bad inference drive out good?

PubMed

Marozzi, Marco

2015-07-01

The (mis)use of statistics in practice is widely debated, and a field where the debate is particularly active is medicine. Many scholars emphasize that a large proportion of published medical research contains statistical errors. It has been noted that top class journals like Nature Medicine and The New England Journal of Medicine publish a considerable proportion of papers that contain statistical errors and poorly document the application of statistical methods. This paper joins the debate on the (mis)use of statistics in the medical literature. Even though the validation process of a statistical result may be quite elusive, a careful assessment of underlying assumptions is central in medicine as well as in other fields where a statistical method is applied. Unfortunately, a careful assessment of underlying assumptions is missing in many papers, including those published in top class journals. In this paper, it is shown that nonparametric methods are good alternatives to parametric methods when the assumptions for the latter ones are not satisfied. A key point to solve the problem of the misuse of statistics in the medical literature is that all journals have their own statisticians to review the statistical method/analysis section in each submitted paper. © 2015 Wiley Publishing Asia Pty Ltd.

An Empirical Consideration of a Balanced Amalgamation of Learning Strategies in Graduate Introductory Statistics Classes

ERIC Educational Resources Information Center

Vaughn, Brandon K.

2009-01-01

This study considers the effectiveness of a "balanced amalgamated" approach to teaching graduate level introductory statistics. Although some research stresses replacing traditional lectures with more active learning methods, the approach of this study is to combine effective lecturing with active learning and team projects. The results of this…

Applicability of LET to single events in microelectronic structures

NASA Astrophysics Data System (ADS)

Xapsos, Michael A.

1992-12-01

LET is often used as a single parameter to determine the energy deposited in a microelectronic structure by a single event. The accuracy of this assumption is examined for ranges of ion energies and volumes of silicon appropriate for modern microelectronics. It is shown to be accurate only under very restricted conditions. Significant differences arise because (1) LET is related to energy lost by the ion, not energy deposited in the volume; and (2) LET is an average value and does not account for statistical variations in energy deposition. Criteria are suggested for determining when factors other than LET should be considered, and new analytical approaches are presented to account for them. One implication of these results is that improvements can be made in space upset rate predictions by incorporating the new methods into currently used codes such as CREME and CRUP.

Nickel Ion Release from Three Types of Nickel-titanium-based Orthodontic Archwires in the As-received State and After Oral Simulation

PubMed Central

Ramazanzadeh, Barat Ali; Ahrari, Farzaneh; Sabzevari, Berahman; Habibi, Samaneh

2014-01-01

Background and aims. This study aimed to investigate release of nickel ion from three types of nickel-titanium-based wires in the as-received state and after immersion in a simulated oral environment. Materials and methods. Forty specimens from each of the single-strand NiTi (Rematitan "Lite"), multi-strand NiTi (SPEED Supercable) and Copper NiTi (Damon Copper NiTi) were selected. Twenty specimens from each type were used in the as-received state and the others were kept in deflected state at 37ºC for 2 months followed by autoclave sterilization. The as-received and recycled wire specimens were immersed in glass bottles containing 1.8 mL of artificial saliva for 28 days and the amount of nickel ion released into the electrolyte was determined using atomic absorption spectrophotometry. Results. The single-strand NiTi released the highest quantity of nickel ion in the as-received state and the multi-strand NiTi showed the highest ion release after oral simulation. The quantity of nickelion released from Damon Copper NiTi was the lowest in both conditions. Oral simulation followed by sterilization did not have a significant influence on nickel ion release from multi-strand NiTi and Damon Copper NiTi wires, but single-strand NiTi released statistically lower quantities of nickel ion after oral simulation. Conclusion. The multi-strand nature of Supercable did not enhance the potential of corrosion after immersion in the simulated oral environment. In vitro use of nickel-titanium-based archwires followed by sterilization did not significantly increase the amount of nickel ion released from these wires. PMID:25093049

Assessing the Interplay between the Physicochemical Parameters of Ion-Pairing Reagents and the Analyte Sequence on the Electrospray Desorption Process for Oligonucleotides

NASA Astrophysics Data System (ADS)

Basiri, Babak; Murph, Mandi M.; Bartlett, Michael G.

2017-08-01

Alkylamines are widely used as ion-pairing agents during LC-MS of oligonucleotides. In addition to a better chromatographic separation, they also assist with the desorption of oligonucleotide ions into the gas phase, cause charge state reduction, and decrease cation adduction. However, the choice of such ion-pairing agents has considerable influence on the MS signal intensity of oligonucleotides as they can also cause significant ion suppression. Interestingly, optimal ion-pairing agents should be selected on a case by case basis as their choice is strongly influenced by the sequence of the oligonucleotide under investigation. Despite imposing major practical difficulties to analytical method development, such a highly variable system that responds very strongly to the nuances of the electrospray composition provides an excellent opportunity for a fundamental study of the electrospray ionization process. Our investigations using this system quantitatively revealed the major factors that influenced the ESI ionization efficiency of oligonucleotides. Parameters such as boiling point, proton affinity, partition coefficient, water solubility, and Henry's law constants for the ion-pairing reagents and the hydrophobic thymine content of the oligonucleotides were found to be the most significant contributors. Identification of these parameters also allowed for the development of a statistical predictive algorithm that can assist with the choice of an optimum IP agent for each particular oligonucleotide sequence. We believe that research in the field of oligonucleotide bioanalysis will significantly benefit from this algorithm (included in Supplementary Material) as it advocates for the use of lesser-known but more suitable ion-pair alternatives to TEA for many oligonucleotide sequences.

The role of energetic ions from plasma in the creation of nanostructured materials and stable polymer surface treatments

NASA Astrophysics Data System (ADS)

Bilek, M. M. M.; Newton-McGee, K.; McKenzie, D. R.; McCulloch, D. G.

2006-01-01

Plasma processes for the synthesis of new materials as thin films have enabled the production of a wide variety of new materials. These include meta-stable phases, which are not readily found in nature, and more recently, materials with structure on the nanoscale. Study of plasma synthesis processes at the fundamental level has revealed that ion energy, depositing flux and growth surface temperature are the critical parameters affecting the microstructure and the properties of the thin film materials formed. In this paper, we focus on the role of ion flux and impact energy in the creation of thin films with nanoscale structure in the form of multilayers. We describe three synthesis strategies, based on the extraction of ions from plasma sources and involving modulation of ion flux and ion energy. The microstructure, intrinsic stress and physical properties of the multilayered samples synthesized are studied and related back to the conditions at the growth surface during deposition. When energetic ions of a non-condensing species are used, it is possible to place active groups on the surfaces of materials such as polymers. These active groups can then be used as bonding sites in subsequent chemical attachment of proteins or other macromolecules. If the energy of the non-condensing ions is increased to a few keV then modified layers buried under the surface can be produced. Here we describe a method by which the aging effect, which is often observed in plasma surface modifications on polymers, can be reduced and even eliminated using high energy ion bombardment.

Dual patch voltage clamp study of low membrane resistance astrocytes in situ.

PubMed

Ma, Baofeng; Xu, Guangjin; Wang, Wei; Enyeart, John J; Zhou, Min

2014-03-17

Whole-cell patch clamp recording has been successfully used in identifying the voltage-dependent gating and conductance properties of ion channels in a variety of cells. However, this powerful technique is of limited value in studying low membrane resistance cells, such as astrocytes in situ, because of the inability to control or accurately measure the real amplitude of command voltages. To facilitate the study of ionic conductances of astrocytes, we have developed a dual patch recording method which permits membrane current and membrane potential to be simultaneously recorded from astrocytes in spite of their extraordinarily low membrane resistance. The utility of this technique is demonstrated by measuring the voltage-dependent activation of the inwardly rectifying K+ current abundantly expressed in astrocytes and multiple ionic events associated with astrocytic GABAA receptor activation. This protocol can be performed routinely in the study of astrocytes. This method will be valuable for identifying and characterizing the individual ion channels that orchestrate the electrical activity of low membrane resistance cells.

Filamentous fungi as a source of natural antioxidants.

PubMed

Smith, Helen; Doyle, Sean; Murphy, Richard

2015-10-15

Ten species of filamentous fungi grown in submerged flask cultures were investigated for antioxidant capacity. Effective antioxidant activity was demonstrated in terms of β-carotene/linoleic acid bleaching, radical scavenging, reduction of metal ions and chelating abilities against ferrous ions. Different extraction methods affected antioxidant activities through their effect on biologically active compounds produced in fungal mycelia. The methanolic extract of each fungus was typically more effective in antioxidant properties. Phenolic content was established in the range of 0.44-9.33 mg/g, flavonoid contents were in the range of 0.02-3.90 mg/g and condensed tannin contents were in the range of 1.77-18.83 mg/g. Total phenol content of each extract was attributed to overall antioxidant capacity (r ⩾ 0.883-1.000). Submerged cultivation of Grifola frondosa, Monascus purpureus, Pleurotus spp., Lentinula edodes and Trametes versicolor proved to be an effective method for the production of natural antioxidants. Copyright © 2015 Elsevier Ltd. All rights reserved.

Enhancing boron rejection in FO using alkaline draw solutions.

PubMed

Wang, Yi-Ning; Li, Weiyi; Wang, Rong; Tang, Chuyang Y

2017-07-01

This study provides a novel method to enhance boron removal in a forward osmosis (FO) process. It utilizes the reverse solute diffusion (RSD) of ions from alkaline draw solutions (DSs) and the concentration polarization of the hydroxyl ions to create a highly alkaline environment near the membrane active surface. The results show that boron rejection can be significantly enhanced by increasing the pH of NaCl DS to 12.5 in the active-layer-facing-feed-solution (AL-FS) orientation. The effect of RSD enhanced boron rejection was further promoted in the presence of concentration polarization (e.g., in the active-layer-facing-draw-solution (AL-DS) orientation). The current study opens a new dimension for controlling contaminant removal by FO using tailored DS chemistry, where the RSD-induced localized water chemistry change is taken advantage in contrast to the conventional method of chemical dosing to the bulk feed water. Copyright © 2017 Elsevier Ltd. All rights reserved.

Adaptation of cytochrome-b5 reductase activity and methaemoglobinaemia in areas with a high nitrate concentration in drinking-water.

PubMed Central

Gupta, S. K.; Gupta, R. C.; Seth, A. K.; Gupta, A. B.; Bassin, J. K.; Gupta, A.

1999-01-01

An epidemiological investigation was undertaken in India to assess the prevalence of methaemoglobinaemia in areas with high nitrate concentration in drinking-water and the possible association with an adaptation of cytochrome-b5 reductase. Five areas were selected, with average nitrate ion concentrations in drinking-water of 26, 45, 95, 222 and 459 mg/l. These areas were visited and house schedules were prepared in accordance with a statistically designed protocol. A sample of 10% of the total population was selected in each of the areas, matched for age and weight, giving a total of 178 persons in five age groups. For each subject, a detailed history was documented, a medical examination was conducted and blood samples were taken to determine methaemoglobin level and cytochrome-b5 reductase activity. Collected data were subjected to statistical analysis to test for a possible relationship between nitrate concentration, cytochrome-b5 reductase activity and methaemoglobinaemia. High nitrate concentrations caused methaemoglobinaemia in infants and adults. The reserve of cytochrome-b5 reductase activity (i.e. the enzyme activity not currently being used, but which is available when needed; for example, under conditions of increased nitrate ingestion) and its adaptation with increasing water nitrate concentration to reduce methaemoglobin were more pronounced in children and adolescents. PMID:10534899

Stability and ionic mobility in argyrodite-related lithium-ion solid electrolytes.

PubMed

Chen, Hao Min; Maohua, Chen; Adams, Stefan

2015-07-07

In the search for fast lithium-ion conducting solids for the development of safe rechargeable all-solid-state batteries with high energy density, thiophosphates and related compounds have been demonstrated to be particularly promising both because of their record ionic conductivities and their typically low charge transfer resistances. In this work we explore a wide range of known and predicted thiophosphates with a particular focus on the cubic argyrodite phase with a robust three-dimensional network of ion migration pathways. Structural and hydrolysis stability are calculated employing density functional method in combination with a generally applicable method of predicting the relevant critical reaction. The activation energy for ion migration in these argyrodites is then calculated using the empirical bond valence pathway method developed in our group, while bandgaps of selected argyrodites are calculated as a basis for assessing the electrochemical window. Findings for the lithium compounds are also compared to those of previously known copper argyrodites and hypothetical sodium argyrodites. Therefrom, guidelines for experimental work are derived to yield phases with the optimum balance between chemical stability and ionic conductivity in the search for practical lithium and sodium solid electrolyte materials.

Neutral gas sympathetic cooling of an ion in a Paul trap.

PubMed

Chen, Kuang; Sullivan, Scott T; Hudson, Eric R

2014-04-11

A single ion immersed in a neutral buffer gas is studied. An analytical model is developed that gives a complete description of the dynamics and steady-state properties of the ions. An extension of this model, using techniques employed in the mathematics of economics and finance, is used to explain the recent observation of non-Maxwellian statistics for these systems. Taken together, these results offer an explanation of the long-standing issues associated with sympathetic cooling of an ion by a neutral buffer gas.

Neutral Gas Sympathetic Cooling of an Ion in a Paul Trap

NASA Astrophysics Data System (ADS)

Chen, Kuang; Sullivan, Scott T.; Hudson, Eric R.

2014-04-01

A single ion immersed in a neutral buffer gas is studied. An analytical model is developed that gives a complete description of the dynamics and steady-state properties of the ions. An extension of this model, using techniques employed in the mathematics of economics and finance, is used to explain the recent observation of non-Maxwellian statistics for these systems. Taken together, these results offer an explanation of the long-standing issues associated with sympathetic cooling of an ion by a neutral buffer gas.

Engineered nano-magnetic iron oxide-urea-activated carbon nanolayer sorbent for potential removal of uranium (VI) from aqueous solution

NASA Astrophysics Data System (ADS)

Mahmoud, Mohamed E.; Khalifa, Mohamed A.; El Wakeel, Yasser M.; Header, Mennatllah S.; Abdel-Fattah, Tarek M.

2017-04-01

A novel magnetic nanosorbent was designed using chemical grafting of nano-magnetite (Nano-Fe3O4) with nanolayer of activated carbon (AC) via urea intermediate for the formation of Nano-Fe3O4-Urea-AC. Characterizing was carried out using FT-IR, SEM, HR-TEM, TGA, point of zero charge (Pzc) and surface area analysis. The designed sorbent maintained its magnetic properties and nanosized structure in the range of 8.7-14.1 nm. The surface area was identified as 389 m2/g based on the BET method. Sorption of uranyl ions from aqueous solutions was studied and evaluated in different experimental conditions. Removal of uranyl ions increased with increasing in pH value and the maximum percentage removal was established at pH 5.0. The removal and sorption processes of uranyl ions by Nano-Fe3O4-Urea-AC sorbent were studied and optimized using the batch technique. The key variables affecting removal of uranyl ions were studied including the effect of the contact time, dosage of Nano-Fe3O4-Urea-AC sorbent, reaction temperature, initial uranyl ions concentration and interfering anions and cations.

Well-ordered mesoporous Fe2O3/C composites as high performance anode materials for sodium-ion batteries.

PubMed

Li, Mei; Ma, Chao; Zhu, Qian-Cheng; Xu, Shu-Mao; Wei, Xiao; Wu, Yong-Min; Tang, Wei-Ping; Wang, Kai-Xue; Chen, Jie-Sheng

2017-04-11

Sodium-ion batteries have attracted considerable attention in recent years. In order to promote the practical application of sodium-ion batteries, the electrochemical performances, such as specific capacity, reversibility, and rate capability of the anode materials, should be further improved. In this work, a Fe 2 O 3 /C composite with a well-ordered mesoporous structure is prepared via a facile co-impregnation method by using mesoporous silica SBA-15 as a hard template. When used as an anode material for sodium-ion batteries, the well-ordered mesoporous structure ensures fast mass transport kinetics. The presence of nano-sized Fe 2 O 3 particles confined within the carbon walls significantly enhances the specific capacity of the composite. The carbon walls in the composite act not only as an active material contributing to the specific capacity, but also as a conductive matrix improving the cycling stability of Fe 2 O 3 nanoparticles. As a result, the well-ordered mesoporous Fe 2 O 3 /C composite exhibits high specific capacity, excellent cycleability, and high rate capability. It is proposed that this simple co-impregnation method is applicable for the preparation of well-ordered mesoporous transition oxide/carbon composite electrode materials for high performance sodium-ion and lithium-ion batteries.

Formulation and Evaluation of Antibacterial Creams and Gels Containing Metal Ions for Topical Application

PubMed Central

Chen, Mei X.; Alexander, Kenneth S.

2016-01-01

Background. Skin infections occur commonly and often present therapeutic challenges to practitioners due to the growing concerns regarding multidrug-resistant bacterial, viral, and fungal strains. The antimicrobial properties of zinc sulfate and copper sulfate are well known and have been investigated for many years. However, the synergistic activity between these two metal ions as antimicrobial ingredients has not been evaluated in topical formulations. Objective. The aims of the present study were to (1) formulate topical creams and gels containing zinc and copper alone or in combination and (2) evaluate the in vitro antibacterial activity of these metal ions in the formulations. Method. Formulation of the gels and creams was followed by evaluating their organoleptic characteristics, physicochemical properties, and in vitro antibacterial activity against Escherichia coli and Staphylococcus aureus. Results. Zinc sulfate and copper sulfate had a strong synergistic antibacterial activity in the creams and gels. The minimum effective concentration was found to be 3 w/w% for both active ingredients against the two tested microorganisms. Conclusions. This study evaluated and confirmed the synergistic in vitro antibacterial effect of copper sulfate and zinc sulfate in a cream and two gels. PMID:27885352

Production of battery grade materials via an oxalate method

DOEpatents

Belharouak, Ilias; Amine, Khalil

2016-05-17

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

Production of battery grade materials via an oxalate method

DOEpatents

Belharouak, Ilias; Amine, Khalil

2014-04-29

An active electrode material for electrochemical devices such as lithium ion batteries includes a lithium transition metal oxide which is free of sodium and sulfur contaminants. The lithium transition metal oxide is prepared by calcining a mixture of a lithium precursor and a transition metal oxalate. Electrochemical devices use such active electrodes.

Production of uridine 5'-monophosphate by Corynebacterium ammoniagenes ATCC 6872 using a statistically improved biocatalytic process.

PubMed

Wang, Xing; Wang, Xiuwen; Yin, Mengxin; Xiao, Zijun; Ma, Cuiqing; Lin, Zhixin; Wang, Peng George; Xu, Ping

2007-08-01

Attempts were made with success to develop a two-step biocatalytic process for uridine 5'-monophosphate (UMP) production from orotic acid by Corynebacterium ammoniagenes ATCC 6872: the strain was first cultivated in a high salt mineral medium, and then cells were harvested and used as the catalyst in the UMP production reaction. Effects of cultivation and reaction conditions on UMP production were investigated. The cells exhibited the highest biocatalytic ability when cultivated in a medium containing corn steep liquor at pH 7.0 for 15 h in the exponential phase of growth. To optimize the reaction, both "one-factor-at-a-time" method and statistical method were performed. By "one-factor-at-a-time" optimization, orotic acid, glucose, phosphate ion (equimolar KH(2)PO(4) and K(2)HPO(4)), MgCl(2), Triton X-100 were shown to be the optimum components for the biocatalytic reaction. Phosphate ion and C. ammoniagenes cell were furthermore demonstrated as the most important main effects on UMP production by Plackett-Burman design, indicating that 5-phosphoribosyl-1-pyrophosphate (PRPP) synthesis was the rate-limiting step for pyrimidine nucleotides production. Optimization by a central composition design (CCD) was then performed, and up to 32 mM (10.4 g l(-1)) UMP was accumulated in 24 h from 38.5 mM (6 g l(-1)) orotic acid. The yield was threefold higher than the original UMP yield before optimization.

Carbon Ion-Irradiated Hepatoma Cells Exhibit Coupling Interplay between Apoptotic Signaling and Morphological and Mechanical Remodeling

PubMed Central

Zhang, Baoping; Li, Long; Li, Zhiqiang; Liu, Yang; Zhang, Hong; Wang, Jizeng

2016-01-01

A apoptotic model was established based on the results of five hepatocellular carcinoma cell (HCC) lines irradiated with carbon ions to investigate the coupling interplay between apoptotic signaling and morphological and mechanical cellular remodeling. The expression levels of key apoptotic proteins and the changes in morphological characteristics and mechanical properties were systematically examined in the irradiated HCC lines. We observed that caspase-3 was activated and that the Bax/Bcl-2 ratio was significantly increased over time. Cellular morphology and mechanics analyses indicated monotonic decreases in spatial sizes, an increase in surface roughness, a considerable reduction in stiffness, and disassembly of the cytoskeletal architecture. A theoretical model of apoptosis revealed that mechanical changes in cells induce the characteristic cellular budding of apoptotic bodies. Statistical analysis indicated that the projected area, stiffness, and cytoskeletal density of the irradiated cells were positively correlated, whereas stiffness and caspase-3 expression were negatively correlated, suggesting a tight coupling interplay between the cellular structures, mechanical properties, and apoptotic protein levels. These results help to clarify a novel arbitration mechanism of cellular demise induced by carbon ions. This biomechanics strategy for evaluating apoptosis contributes to our understanding of cancer-killing mechanisms in the context of carbon ion radiotherapy. PMID:27731354

How do energetic ions damage metallic surfaces?

DOE PAGES

Osetskiy, Yury N.; Calder, Andrew F.; Stoller, Roger E.

2015-02-20

Surface modification under bombardment by energetic ions observed under different conditions in structural and functional materials and can be either unavoidable effect of the conditions or targeted modification to enhance materials properties. Understanding basic mechanisms is necessary for predicting properties changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films withmore » (100) and (110) surfaces at room temperature. A large number of simulations, ~400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three basic scenarios were observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some instances, formation of large <100> vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations.« less

Bicarbonate Availability for Vocal Fold Epithelial Defense to Acidic Challenge

PubMed Central

Durkes, Abigail; Sivasankar, M. Preeti

2014-01-01

Objectives Bicarbonate is critical for acid-base tissue homeostasis. In this study we investigated the role of bicarbonate ion transport in vocal fold epithelial defense to acid challenges. Acidic insults to the larynx are common in gastric reflux, carcinogenesis and metastasis, and acute inflammation. Methods Ion transport was measured in viable, porcine vocal fold epithelium. First, 18 vocal folds were exposed to either the carbonic anhydrase antagonist acetazolamide or to vehicle. Second, 32 vocal folds were exposed to either a control buffer or a bicarbonate-free buffer on their luminal or basolateral surface or both. Third, vocal folds were challenged with acid in the presence of bicarbonate-free or control buffer. Results The vocal fold transepithelial resistance was greater than 300 Ω*cm2, suggesting robust barrier integrity. Ion transport did not change after exposure to acetazolamide (p > 0.05). Exposure to bicarbonate-free buffer did not compromise vocal fold ion transport (p > 0.05). Ion transport increased after acid challenge. This increase approached statistical significance and was the greatest for the control buffer and for the bicarbonate-free buffer applied to the basolateral surface. Conclusions Bicarbonate secretion may contribute to vocal fold defense against acid challenge. Our data offer a potential novel role for bicarbonate as a therapeutic agent to reduce pH abnormalities in the larynx and prevent associated pathological changes. PMID:24574427

Strontium and barium in aqueous solution and a potassium channel binding site

NASA Astrophysics Data System (ADS)

Chaudhari, Mangesh I.; Rempe, Susan B.

2018-06-01

Ion hydration structure and free energy establish criteria for understanding selective ion binding in potassium (K+) ion channels and may be significant to understanding blocking mechanisms as well. Recently, we investigated the hydration properties of Ba2+, the most potent blocker of K+ channels among the simple metal ions. Here, we use a similar method of combining ab initio molecular dynamics simulations, statistical mechanical theory, and electronic structure calculations to probe the fundamental hydration properties of Sr2+, which does not block bacterial K+ channels. The radial distribution of water around Sr2+ suggests a stable 8-fold geometry in the local hydration environment, similar to Ba2+. While the predicted hydration free energy of -331.8 kcal/mol is comparable with the experimental result of -334 kcal/mol, the value is significantly more favorable than the -305 kcal/mol hydration free energy of Ba2+. When placed in the innermost K+ channel blocking site, the solvation free energies and lowest energy structures of both Sr2+ and Ba2+ are nearly unchanged compared with their respective hydration properties. This result suggests that the block is not attributable to ion trapping due to +2 charge, and differences in blocking behavior arise due to free energies associated with the exchange of water ligands for channel ligands instead of free energies of transfer from water to the binding site.

Solid-phase extraction of iridium from soil and water samples by using activated carbon cloth prior to its spectrophotometric determination.

PubMed

Ozkantar, Nebiye; Yilmaz, Erkan; Soylak, Mustafa; Tuzen, Mustafa

2015-08-01

A solid-phase extraction method for separation and preconcentration of Ir(IV) ion by using activated carbon cloth (ACC) has been presented. Ir(IV) as their 1-(2-pyridylazo) 2-naphtol (PAN) chelate was adsorbed on ACC at pH 2.0 and was eluted from ACC with acidic dimethylformamide (DMF). The Ir(IV) concentration was determined at 536 nm as Ir(IV)-PAN complex by using UV-vis spectrophotometer. The analytical parameters including pH, sample and eluent flow rates, amount of PAN, eluent type, concentration, and sample volume were optimized. The effects of foreign ions on the recoveries of iridium were also investigated. The preconcentration factor was calculated as 60. The limit of detection (LOD) and the limit of quantification (LOQ) of the method were found as 0.039 and 0.129 μg L(-1), respectively. The method was applied to soil and water samples for iridium determination.

Release of nickel and chromium ions in the saliva of patients with fixed orthodontic appliance: An in-vivo study.

PubMed

Dwivedi, Anoop; Tikku, Tripti; Khanna, Rohit; Maurya, Rana Pratap; Verma, Geeta; Murthy, R C

2015-01-01

Various components of fixed orthodontic appliances are continuously interacting with saliva and other fluids in the mouth releasing various metal ions including nickel and chromium that can cause damaging effects if their concentration exceeds above the toxic dose. To determine and compare the level of nickel and chromium in the saliva of patients undergoing fixed orthodontic treatment at different time periods. The sample of saliva of 13 patients was taken at different time periods that is: Group 1 (before appliance placement), Group II, III, and IV (after 1-week, 1-month, and 3 months of appliance placement respectively). The fixed appliance comprised of brackets, bands, buccal tubes, lingual sheath, transpalatal arch and wires composed of Ni-Ti and stainless steel. The level of ions was determined using graphite furnace atomic absorption spectro-photometry. The data thus obtained were statistically analyzed using SPSS Statistical Analysis Software (Version 15.0). Level of nickel and chromium in saliva was highest in Group II and lowest in Groups I for both the ions. On comparison among different Groups, it was statistically significant for all the groups (<0.001) except between Group III and Group IV. The release of nickel and chromium was maximum at 1-week and then the level gradually declined. These values were well below the toxic dose of these ions. The results should be viewed with caution in subjects with Ni hypersensitivity.

Effectiveness of Project Based Learning in Statistics for Lower Secondary Schools

ERIC Educational Resources Information Center

Siswono, Tatag Yuli Eko; Hartono, Sugi; Kohar, Ahmad Wachidul

2018-01-01

Purpose: This study aimed at investigating the effectiveness of implementing Project Based Learning (PBL) on the topic of statistics at a lower secondary school in Surabaya city, Indonesia, indicated by examining student learning outcomes, student responses, and student activity. Research Methods: A quasi experimental method was conducted over two…

Detection of lead(II) ions with a DNAzyme and isothermal strand displacement signal amplification.

PubMed

Li, Wenying; Yang, Yue; Chen, Jian; Zhang, Qingfeng; Wang, Yan; Wang, Fangyuan; Yu, Cong

2014-03-15

A DNAzyme based method for the sensitive and selective quantification of lead(II) ions has been developed. A DNAzyme that requires Pb(2+) for activation was selected. An RNA containing DNA substrate was cleaved by the DNAzyme in the presence of Pb(2+). The 2',3'-cyclic phosphate of the cleaved 5'-part of the substrate was efficiently removed by Exonuclease III. The remaining part of the single stranded DNA (9 or 13 base long) was subsequently used as the primer for the strand displacement amplification reaction (SDAR). The method is highly sensitive, 200 pM lead(II) could be easily detected. A number of interference ions were tested, and the sensor showed good selectivity. Underground water samples were also tested, which demonstrated the feasibility of the current approach for real sample applications. It is feasible that our method could be used for DNAzyme or aptazyme based new sensing method developments for the quantification of other target analytes with high sensitivity and selectivity. © 2013 Elsevier B.V. All rights reserved.

Calculation of recoil implantation profiles using known range statistics

NASA Technical Reports Server (NTRS)

Fung, C. D.; Avila, R. E.

1985-01-01

A method has been developed to calculate the depth distribution of recoil atoms that result from ion implantation onto a substrate covered with a thin surface layer. The calculation includes first order recoils considering projected range straggles, and lateral straggles of recoils but neglecting lateral straggles of projectiles. Projectile range distributions at intermediate energies in the surface layer are deduced from look-up tables of known range statistics. A great saving of computing time and human effort is thus attained in comparison with existing procedures. The method is used to calculate recoil profiles of oxygen from implantation of arsenic through SiO2 and of nitrogen from implantation of phosphorus through Si3N4 films on silicon. The calculated recoil profiles are in good agreement with results obtained by other investigators using the Boltzmann transport equation and they also compare very well with available experimental results in the literature. The deviation between calculated and experimental results is discussed in relation to lateral straggles. From this discussion, a range of surface layer thickness for which the method applies is recommended.

Quantum mechanical/molecular mechanical free energy simulations of the self-cleavage reaction in the hepatitis delta virus ribozyme.

PubMed

Ganguly, Abir; Thaplyal, Pallavi; Rosta, Edina; Bevilacqua, Philip C; Hammes-Schiffer, Sharon

2014-01-29

The hepatitis delta virus (HDV) ribozyme catalyzes a self-cleavage reaction using a combination of nucleobase and metal ion catalysis. Both divalent and monovalent ions can catalyze this reaction, although the rate is slower with monovalent ions alone. Herein, we use quantum mechanical/molecular mechanical (QM/MM) free energy simulations to investigate the mechanism of this ribozyme and to elucidate the roles of the catalytic metal ion. With Mg(2+) at the catalytic site, the self-cleavage mechanism is observed to be concerted with a phosphorane-like transition state and a free energy barrier of ∼13 kcal/mol, consistent with free energy barrier values extrapolated from experimental studies. With Na(+) at the catalytic site, the mechanism is observed to be sequential, passing through a phosphorane intermediate, with free energy barriers of 2-4 kcal/mol for both steps; moreover, proton transfer from the exocyclic amine of protonated C75 to the nonbridging oxygen of the scissile phosphate occurs to stabilize the phosphorane intermediate in the sequential mechanism. To explain the slower rate observed experimentally with monovalent ions, we hypothesize that the activation of the O2' nucleophile by deprotonation and orientation is less favorable with Na(+) ions than with Mg(2+) ions. To explore this hypothesis, we experimentally measure the pKa of O2' by kinetic and NMR methods and find it to be lower in the presence of divalent ions rather than only monovalent ions. The combined theoretical and experimental results indicate that the catalytic Mg(2+) ion may play three key roles: assisting in the activation of the O2' nucleophile, acidifying the general acid C75, and stabilizing the nonbridging oxygen to prevent proton transfer to it.

Method for reduction of selected ion intensities in confined ion beams

DOEpatents

Eiden, Gregory C.; Barinaga, Charles J.; Koppenaal, David W.

1998-01-01

A method for producing an ion beam having an increased proportion of analyte ions compared to carrier gas ions is disclosed. Specifically, the method has the step of addition of a charge transfer gas to the carrier analyte combination that accepts charge from the carrier gas ions yet minimally accepts charge from the analyte ions thereby selectively neutralizing the carrier gas ions. Also disclosed is the method as employed in various analytical instruments including an inductively coupled plasma mass spectrometer.

Method for reduction of selected ion intensities in confined ion beams

DOEpatents

Eiden, G.C.; Barinaga, C.J.; Koppenaal, D.W.

1998-06-16

A method for producing an ion beam having an increased proportion of analyte ions compared to carrier gas ions is disclosed. Specifically, the method has the step of addition of a charge transfer gas to the carrier analyte combination that accepts charge from the carrier gas ions yet minimally accepts charge from the analyte ions thereby selectively neutralizing the carrier gas ions. Also disclosed is the method as employed in various analytical instruments including an inductively coupled plasma mass spectrometer. 7 figs.

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation.

PubMed

Finnerty, Justin John; Peyser, Alexander; Carloni, Paolo

2015-01-01

Cation selective channels constitute the gate for ion currents through the cell membrane. Here we present an improved statistical mechanical model based on atomistic structural information, cation hydration state and without tuned parameters that reproduces the selectivity of biological Na+ and Ca2+ ion channels. The importance of the inclusion of step-wise cation hydration in these results confirms the essential role partial dehydration plays in the bacterial Na+ channels. The model, proven reliable against experimental data, could be straightforwardly used for designing Na+ and Ca2+ selective nanopores.

Mechanism of Amido-Thiourea Catalyzed Enantioselective Imine Hydrocyanation: Transition State Stabilization via Multiple Non-Covalent Interactions

PubMed Central

Zuend, Stephan J.

2009-01-01

An experimental and computational investigation of amido-thiourea promoted imine hydrocyanation has revealed a new and unexpected mechanism of catalysis. Rather than direct activation of the imine by the thiourea, as had been proposed previously in related systems, the data are consistent with a mechanism involving catalyst-promoted proton transfer from hydrogen isocyanide to imine to generate diastereomeric iminium/cyanide ion pairs that are bound to catalyst through multiple non-covalent interactions; these ion pairs collapse to form the enantiomeric α-aminonitrile products. This mechanistic proposal is supported by the observation of a statistically significant correlation between experimental and calculated enantioselectivities induced by eight different catalysts (P ≪ 0.01). The computed models reveal a basis for enantioselectivity that involves multiple stabilizing and destabilizing interactions between substrate and catalyst, including thiourea-cyanide and amide-iminium interactions. PMID:19778044

Feasibility study of custom manufacturing methods of ionic polymer-metal composite sensors

NASA Astrophysics Data System (ADS)

Nelson, Shelby E.

The ability to create an ion exchange membrane with any shape or thickness through custom manufacturing techniques is highly desirable in ionic polymer-metal composite (IPMC) research. This is caused by the poor selection and limited availability of certain thicknesses of commercial ion exchange membranes. The objective of this study is to determine the feasibility of manufacturing custom ion exchange membranes for IPMC sensors. The manufacturing methods used in this study are extrusion, injection molding, and hot pressing. A commercial membrane from Golden Energy Fuel Cells (GEFC) is used as a comparison. After the membranes are fabricated, certain properties of the membranes are tested throughout each processing stage to determine if they are suitable to be developed into IPMCs. The three processing stages are pre-activation, activation (hydrated and dehydrated), and IPMC. It was observed that the stiffness of the membranes increased from pre-activation to activation and decreased from activation to IPMC. A more flexible membrane in an IPMC allows for larger cation displacement within the membrane. The extruded and injection molded membranes showed the most potential with having the lowest stiffness of all the samples; however, they were not able to be made into IPMCs due to repeated membrane failures in the primary plating process. Gas accumulated between the layers that formed in the membranes due to the extrusion and injection molding cooling process during manufacturing. The hot pressed membrane was the only custom manufactured membrane to be fully processed into an IPMC. The hot pressed and GEFC IPMC sensors were operated at 1 Hz, 5 Hz, and 10 Hz frequencies with the GEFC IPMC producing the strongest output voltage signal. While the extruded and injection molded membranes showed potential to become IPMCs with their high water uptake percentage, high ion exchange capacity, and low stiffness, more development is needed within the manufacturing process to make a uniform sample that does not fail during chemical processing.

Highly selective apo-arginase based method for sensitive enzymatic assay of manganese (II) and cobalt (II) ions

NASA Astrophysics Data System (ADS)

Stasyuk, Nataliya; Gayda, Galina; Zakalskiy, Andriy; Zakalska, Oksana; Errachid, Abdelhamid; Gonchar, Mykhailo

2018-03-01

A novel enzymatic method of manganese (II) and cobalt (II) ions assay, based on using apo-enzyme of Mn2 +-dependent recombinant arginase I (arginase) and 2,3-butanedione monoxime (DMO) as a chemical reagent is proposed. The principle of the method is the evaluation of the activity of L-arginine-hydrolyzing of arginase holoenzyme after the specific binding of Mn2 + or Co2 + with apo-arginase. Urea, which is the product of enzymatic hydrolysis of L-arginine (Arg), reacts with DMO and the resulted compound is detected by both fluorometry and visual spectrophotometry. Thus, the content of metal ions in the tested samples can be determined by measuring the level of urea generated after enzymatic hydrolysis of Arg by reconstructed arginase holoenzyme in the presence of tested metal ions. The linearity range of the fluorometric apo-arginase-DMO method in the case of Mn2 + assay is from 4 pM to 1.10 nM with a limit of detection of 1 pM Mn2 +, whereas the linearity range of the present method in the case of Co2 + assay is from 8 pM to 45 nM with a limit of detection of 2.5 pM Co2 +. The proposed method being highly sensitive, selective, valid and low-cost, may be useful to monitor Mn2 + and Co2 + content in clinical laboratories, food industry and environmental control service.

Kinetic properties of wild-type and altered recombinant amidases by the use of ion-selective electrode assay method.

PubMed

Martins, S; Karmali, A; Serralheiro, M L

2006-08-15

A novel assay method was investigated for wild-type and recombinant mutant amidases (EC 3.5.1.4) from Pseudomonas aeruginosa by ammonium ion-selective electrode (ISE). The initial velocity is proportional to the enzyme concentration by using the wild-type enzyme. The specific activities of the purified amidase were found to be 88.2 and 104.2 U mg protein(-1) for the linked assay and ISE methods, respectively. The kinetic constants--Vmax, Km, and Kcat--determined by Michaelis-Menten plot were 101.13 U mg protein(-1), 1.12x10(-2) M, and 64.04 s(-1), respectively, for acrylamide as the substrate. On the other hand, the lower limit of detection and range of linearity of enzyme concentration were found to be 10.8 and 10.8 to 500 ng, respectively, for the linked assay method and 15.0 and 15.0 to 15,000 ng, respectively, for the ISE method. Hydroxylamine was found to act as an uncompetitive activator of hydrolysis reaction catalyzed by amidase given that there is an increase in Vmax and Km when acetamide was used as the substrate. However, the effect of hydroxylamine on the hydrolysis reaction was dependent on the type of amidase and substrate involved in the reaction mixture. The degrees of activation (epsilon(a)) of the wild-type and mutant (T103I and C91A) enzymes were found to be 2.54, 12.63, and 4.33, respectively, for acetamide as the substrate. However, hydroxylamine did not activate the reaction catalyzed by wild-type and altered (C91A and W138G) amidases by using acrylamide and acetamide, respectively, as the substrate. The activating effect of hydroxylamine on the hydrolysis of acetamide, acrylamide, and p-nitrophenylacetamide can be explained by the fact that additional formation of ammonium ions occurred due to the transferase activity of amidases. However, the activating effect of hydroxylamine on the hydrolysis of p-nitroacetanilide may be due to a change in conformation of enzyme molecule. Therefore, the use of ISE permitted the study of the kinetic properties of wild-type and mutant amidases because it was possible to measure initial velocity of the enzyme-catalyzed reaction in real time.

Assessment of antioxidant activity by using different in vitro methods.

PubMed

Schlesier, K; Harwat, M; Böhm, V; Bitsch, R

2002-02-01

In this study, six common tests for measuring antioxidant activity were evaluated by comparing four antioxidants and applying them to beverages (tea and juices): Trolox equivalent antioxidant capacity assay (TEAC I-III assay), Total radical-trapping antioxidant parameter assay (TRAP assay), 2,2-diphenyl-l-picrylhydrazyl assay (DPPH assay), N,N-dimethyl-p-phenylendiamine assay (DMPD assay), Photochemiluminescence assay (PCL assay) and Ferric reducing ability of plasma assay (FRAP assay). The antioxidants included gallic acid representing the group of polyphenols, uric acid as the main antioxidant in human plasma, ascorbic acid as a vitamin widely spread in fruits and Trolox as water soluble vitamin E analogue. The six methods presented can be divided into two groups depending on the oxidising reagent. Five methods use organic radical producers (TEAC I-III, TRAP, DPPH, DMPD, PCL) and one method works with metal ions for oxidation (FRAP). Another difference between these tests is the reaction procedure. Three assays use the delay in oxidation and determine the lag phase as parameter for the antioxidant activity (TEAC I, TRAP, PCL). They determine the delay of radical generation as well as the ability to scavenge the radical. In contrast, the assays TEAC II and III, DPPH, DMPD and FRAP analyse the ability to reduce the radical cation (TEAC II and III, DPPH, DMPD) or the ferric ion (FRAP). The three tests acting by radical reduction use preformed radicals and determine the decrease in absorbance while the FRAP assay measures the formed ferrous ions by increased absorbance. Gallic acid was the strongest antioxidant in all tests with exception of the DMPD assay. In contrast, uric acid and ascorbic acid showed low activity in some assays. Most of the assays determine the antioxidant activity in the micromolar range needing minutes to hours. Only one assay (PCL) is able to analyse the antioxidant activity in the nanomolar range. Black currant juice showed highest antioxidant activity in all tests compared to tea, apple juice and tomato juice. Despite these differences, results of these in vitro assays give an idea of the protective efficacy of secondary plant products. It is strongly recommended to use at least two methods due to the differences between the test systems investigated.