Multiplex amplification of large sets of human exons.

PubMed

Porreca, Gregory J; Zhang, Kun; Li, Jin Billy; Xie, Bin; Austin, Derek; Vassallo, Sara L; LeProust, Emily M; Peck, Bill J; Emig, Christopher J; Dahl, Fredrik; Gao, Yuan; Church, George M; Shendure, Jay

2007-11-01

A new generation of technologies is poised to reduce DNA sequencing costs by several orders of magnitude. But our ability to fully leverage the power of these technologies is crippled by the absence of suitable 'front-end' methods for isolating complex subsets of a mammalian genome at a scale that matches the throughput at which these platforms will routinely operate. We show that targeting oligonucleotides released from programmable microarrays can be used to capture and amplify approximately 10,000 human exons in a single multiplex reaction. Additionally, we show integration of this protocol with ultra-high-throughput sequencing for targeted variation discovery. Although the multiplex capture reaction is highly specific, we found that nonuniform capture is a key issue that will need to be resolved by additional optimization. We anticipate that highly multiplexed methods for targeted amplification will enable the comprehensive resequencing of human exons at a fraction of the cost of whole-genome resequencing.

Alkali metal mediated C-C bond coupling reaction

NASA Astrophysics Data System (ADS)

Tachikawa, Hiroto

2015-02-01

Metal catalyzed carbon-carbon (C-C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz)2, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz)2, the structure of [Li(Bz)2]- was drastically changed: Bz-Bz parallel form was rapidly fluctuated as a function of time, and a new C-C single bond was formed in the C1-C1' position of Bz-Bz interaction system. In the hole capture, the intermolecular vibration between Bz-Bz rings was only enhanced. The mechanism of C-C bond formation in the electron capture was discussed on the basis of theoretical results.

Electron capture strength for Ni60,62 and Ni58,60,62,64(p, n)Cu58,60,62,64 reactions at 134.3 MeV

NASA Astrophysics Data System (ADS)

Anantaraman, N.; Austin, Sam M.; Brown, B. A.; Crawley, G. M.; Galonsky, A.; Zegers, R. G. T.; Anderson, B. D.; Baldwin, A. R.; Flanders, B. S.; Madey, R.; Watson, J. W.; Foster, C. C.

2008-12-01

Background: The strength of electron capture for medium mass nuclei has a significant effect on the evolution of supernovae. There is insufficient knowledge of these strengths and very little data for important radioactive nuclei. Purpose: Determine whether it is feasible to obtain EC strength from studies of To+1 excitations in (p, n) reactions, and whether this might yield information for radioactive nuclei. Methods: Cross sections for the Ni58,60,62,64(p, n)Cu58,60,62,64 reactions were measured over the angular range of 0.3∘ to 11.6∘ at 134.3 MeV using the IUCF neutron time-of-flight facility. Results: The To+1 excitations in Ni60,62 were identified by comparison with inelastic proton scattering spectra, their B(GT) were extracted, and the corresponding electron capture rates in supernovae were calculated. Data from the TRIUMF (n, p) experiments at 198 MeV were reanalyzed; the electron capture rates for the reanalyzed data are in moderately good agreement with the higher resolution (p, n) results, but differ in detail. The possibility of future measurements with radioactive nuclei was considered. Conclusions: It may be possible to obtain low-lying electron capture strength for radioactive nuclei by studying (p, n) reactions in inverse kinematics.

Bond formations by intermolecular and intramolecular trappings of acylketenes and their applications in natural product synthesis†

PubMed Central

Reber, Keith P.; Tilley, S. David

2011-01-01

The reactive intermediates known as acylketenes exhibit a rich chemistry and have been extensively utilized for many types of inter- and intramolecular bond-forming reactions within the field of organic synthesis. Characteristic reactions of acylketenes include cycloadditions, carbon–carbon bond-forming reactions, and nucleophilic capture with alcohols or amines to give β-keto acid derivatives. In particular, the intramolecular capture of acylketene intermediates with pendant nucleophiles represents a powerful method for forming both medium-sized rings and macrocycles, often in high yield. This tutorial review examines the history, generation, and reactivity of acylketenes with a special focus on their applications in the synthesis of natural products. PMID:19847338

Study on the keV neutron capture reaction in 56Fe and 57Fe

NASA Astrophysics Data System (ADS)

Wang, Taofeng; Lee, Manwoo; Kim, Guinyun; Ro, Tae-Ik; Kang, Yeong-Rok; Igashira, Masayuki; Katabuchi, Tatsuya

2014-03-01

The neutron capture cross-sections and the radiative capture gamma-ray spectra from the broad resonances of 56Fe and 57Fe in the neutron energy range from 10 to 90keV and 550keV have been measured with an anti-Compton NaI(Tl) detector. Pulsed keV neutrons were produced from the 7Li 7Be reaction by bombarding the lithium target with the 1.5ns bunched proton beam from the 3MV Pelletron accelerator. The incident neutron spectrum on a capture sample was measured by means of a time-of-flight (TOF) method with a 6Li -glass detector. The number of weighted capture counts of the iron or gold sample was obtained by applying a pulse height weighting technique to the corresponding capture gamma-ray pulse height spectrum. The neutron capture gamma-ray spectra were obtained by unfolding the observed capture gamma-ray pulse height spectra. To achieve further understanding on the mechanism of neutron radiative capture reaction and study on physics models, theoretical calculations of the -ray spectra for 56Fe and 57Fe with the POD program have been performed by applying the Hauser-Feshbach statistical model. The dominant ingredients to perform the statistical calculation were the Optical Model Potential (OMP), the level densities described by the Mengoni-Nakajima approach, and the -ray transmission coefficients described by -ray strength functions. The comparison of the theoretical calculations, performed only for the 550keV point, show a good agreement with the present experimental results.

Fusion and quasifission studies for the 40Ca+186W,192Os reactions

NASA Astrophysics Data System (ADS)

Prasad, E.; Hinde, D. J.; Williams, E.; Dasgupta, M.; Carter, I. P.; Cook, K. J.; Jeung, D. Y.; Luong, D. H.; Palshetkar, C. S.; Rafferty, D. C.; Ramachandran, K.; Simenel, C.; Wakhle, A.

2017-09-01

Background: All elements above atomic number 113 have been synthesized using hot fusion reactions with calcium beams on statically deformed actinide target nuclei. Quasifission and fusion-fission are the two major mechanisms responsible for the very low production cross sections of superheavy elements. Purpose: To achieve a quantitative measurement of capture and quasifission characteristics as a function of beam energy in reactions forming heavy compound systems using calcium beams as projectiles. Methods: Fission fragment mass-angle distributions were measured for the two reactions 40Ca+186W and 40C+192Os, populating 226Pu and 232Cm compound nuclei, respectively, using the Heavy Ion Accelerator Facility and CUBE spectrometer at the Australian National University. Mass ratio distributions, angular distributions, and total fission cross sections were obtained from the experimental data. Simulations to match the features of the experimental mass-angle distributions were performed using a classical phenomenological approach. Results: Both 40Ca+186W and 40C+192Os reactions show strong mass-angle correlations at all energies measured. A maximum fusion probability of 60 -70 % is estimated for the two reactions in the energy range of the present study. Coupled-channels calculations assuming standard Woods-Saxon potential parameters overpredict the capture cross sections. Large nuclear potential diffuseness parameters ˜1.5 fm are required to fit the total capture cross sections. The presence of a weak mass-asymmetric quasifission component attributed to the higher angular momentum events can be reproduced with a shorter average sticking time but longer mass-equilibration time constant. Conclusions: The deduced above-barrier capture cross sections suggest that the dissipative processes are already occurring outside the capture barrier. The mass-angle correlations indicate that a compact shape is not achieved for deformation aligned collisions with lower capture barriers. The average sticking time of fast quasifission events is 10-20 s.

Application of the Statistical ICA Technique in the DANCE Data Analysis

NASA Astrophysics Data System (ADS)

Baramsai, Bayarbadrakh; Jandel, M.; Bredeweg, T. A.; Rusev, G.; Walker, C. L.; Couture, A.; Mosby, S.; Ullmann, J. L.; Dance Collaboration

2015-10-01

The Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos Neutron Science Center is used to improve our understanding of the neutron capture reaction. DANCE is a highly efficient 4 π γ-ray detector array consisting of 160 BaF2 crystals which make it an ideal tool for neutron capture experiments. The (n, γ) reaction Q-value equals to the sum energy of all γ-rays emitted in the de-excitation cascades from the excited capture state to the ground state. The total γ-ray energy is used to identify reactions on different isotopes as well as the background. However, it's challenging to identify contribution in the Esum spectra from different isotopes with the similar Q-values. Recently we have tested the applicability of modern statistical methods such as Independent Component Analysis (ICA) to identify and separate different (n, γ) reaction yields on different isotopes that are present in the target material. ICA is a recently developed computational tool for separating multidimensional data into statistically independent additive subcomponents. In this conference talk, we present some results of the application of ICA algorithms and its modification for the DANCE experimental data analysis. This research is supported by the U. S. Department of Energy, Office of Science, Nuclear Physics under the Early Career Award No. LANL20135009.

Alkali metal mediated C–C bond coupling reaction

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

Tachikawa, Hiroto, E-mail: hiroto@eng.hokudai.ac.jp

2015-02-14

Metal catalyzed carbon-carbon (C–C) bond formation is one of the important reactions in pharmacy and in organic chemistry. In the present study, the electron and hole capture dynamics of a lithium-benzene sandwich complex, expressed by Li(Bz){sub 2}, have been investigated by means of direct ab-initio molecular dynamics method. Following the electron capture of Li(Bz){sub 2}, the structure of [Li(Bz){sub 2}]{sup −} was drastically changed: Bz–Bz parallel form was rapidly fluctuated as a function of time, and a new C–C single bond was formed in the C{sub 1}–C{sub 1}′ position of Bz–Bz interaction system. In the hole capture, the intermolecular vibrationmore » between Bz–Bz rings was only enhanced. The mechanism of C–C bond formation in the electron capture was discussed on the basis of theoretical results.« less

The astrophysical S-factor of the direct 18O(p, γ)19F capture by the ANC method

NASA Astrophysics Data System (ADS)

Burjan, V.; Hons, Z.; Kroha, V.; Mrázek, J.; Piskoř, Š.; Mukhamedzhanov, A. M.; Trache, L.; Tribble, R. E.; La Cognata, M.; Lamia, L.; Pizzone, G. R.; Romano, S.; Spitaleri, C.; Tumino, A.

2018-01-01

We attempted to determine the astrophysical S-factor of the direct part of the 18O(p, γ)19F capture by the indirect method of asymptotic normalization coefficients (ANC). We measured the differential cross section of the transfer reaction 18O(3He, d)19F at a 3He energy of 24.6 MeV. The measurement was realized on the cyclotron of the NPI in Řež, Czech Republic, with the gas target consisting of the high purity 18O (99.9 %). The reaction products were measured by eight ΔE-E telescopes composed from thin and thick silicon surface-barrier detectors. The parameters of the optical model for the input channel were deduced by means of the code ECIS and the analysis of transfer reactions to 12 levels of the 19F nucleus up to 8.014 MeV was made by the code FRESCO. The deduced ANCs were then used to specify the direct contribution to the 18O(p, γ)19F capture process and were compared with the mutually different results of two works.

Neutron capture cross section of {sup 14}C of astrophysical interest studied by Coulomb breakup of {sup 15}C

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

Nakamura, T.; Fukuda, N.; Aoi, N.

2009-03-15

The neutron capture reaction on {sup 14}C leading to the {sup 15}C ground state, which plays an important role in various nucleosynthesis processes, has been studied using the Coulomb breakup of {sup 15}C on a Pb target at 68 MeV/nucleon. The breakup cross section has been converted into the energy-dependent neutron capture cross section using the principle of detailed balance. The energy spectrum shows typical p-wave neutron capture characteristics, which is explained by the fact that the ground state of {sup 15}C possesses a strong single-particle s-wave component and a moderate-sized neutron halo structure. The capture cross section for themore » {sup 14}C(n,{gamma}){sup 15}C reaction derived from the present experiment has been found to be consistent with the most recent data, directly measured using a {sup 14}C target. This result assures the validity of the Coulomb breakup method in deriving the neutron capture cross section for neutron-rich nuclei.« less

Toward rational design of amines for CO2 capture: Substituent effect on kinetic process for the reaction of monoethanolamine with CO2.

PubMed

Xie, Hongbin; Wang, Pan; He, Ning; Yang, Xianhai; Chen, Jingwen

2015-11-01

Amines have been considered as promising candidates for post-combustion CO2 capture. A mechanistic understanding for the chemical processes involved in the capture and release of CO2 is important for the rational design of amines. In this study, the structural effects of amines on the kinetic competition among three typical products (carbamates, carbamic acids and bicarbonate) from amines+CO2 were investigated, in contrast to previous thermodynamic studies to tune the reaction of amines with CO2 based on desirable reaction enthalpy and reaction stoichiometry. We used a quantum chemical method to calculate the activation energies (Ea) for the reactions of a range of substituted monoethanolamines with CO2 covering three pathways to the three products. The results indicate that the formation of carbamates is the most favorable, among the three considered products. In addition, we found that the Ea values for all pathways linearly correlate with pKa of amines, and more importantly, the kinetic competition between carbamate and bicarbonate absorption pathways varies with pKa of the amines, i.e. stronger basicity results in less difference in Ea. These results highlight the importance of the consideration of kinetic competition among different reaction pathways in amine design. Copyright © 2015. Published by Elsevier B.V.

Nitrosamines and Nitramines in Amine-Based Carbon Dioxide Capture Systems: Fundamentals, Engineering Implications, and Knowledge Gaps.

PubMed

Yu, Kun; Mitch, William A; Dai, Ning

2017-10-17

Amine-based absorption is the primary contender for postcombustion CO 2 capture from fossil fuel-fired power plants. However, significant concerns have arisen regarding the formation and emission of toxic nitrosamine and nitramine byproducts from amine-based systems. This paper reviews the current knowledge regarding these byproducts in CO 2 capture systems. In the absorber, flue gas NO x drives nitrosamine and nitramine formation after its dissolution into the amine solvent. The reaction mechanisms are reviewed based on CO 2 capture literature as well as biological and atmospheric chemistry studies. In the desorber, nitrosamines are formed under high temperatures by amines reacting with nitrite (a hydrolysis product of NO x ), but they can also thermally decompose following pseudo-first order kinetics. The effects of amine structure, primarily amine order, on nitrosamine formation and the corresponding mechanisms are discussed. Washwater units, although intended to control emissions from the absorber, can contribute to additional nitrosamine formation when accumulated amines react with residual NO x . Nitramines are much less studied than nitrosamines in CO 2 capture systems. Mitigation strategies based on the reaction mechanisms in each unit of the CO 2 capture systems are reviewed. Lastly, we highlight research needs in clarifying reaction mechanisms, developing analytical methods for both liquid and gas phases, and integrating different units to quantitatively predict the accumulation and emission of nitrosamines and nitramines.

Four-body calculation of {sup 12}C(α, γ){sup 16}O radiative capture reaction at stellar energies

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

Sadeghi, H., E-mail: H-Sadeghi@Araku.ac.ir; Firoozabadi, M. M.

2016-01-15

On the basis of the four-alphamodel, the {sup 12}C(α, γ){sup 16}Oradiative capture process is investigated by using the four-body Faddeev–Yakubovsky equations as well as the two- and three-body electromagnetic currents. The present calculation is an application of our current conservation realistic potentials method for the {sup 12}C(α, γ){sup 16}Oradiative capture process. This work clears the way formore refinedmodels of radiative capture based on two- and three-body realistic potentials and current conservation. The calculation is carried out by considering the {sup 4}He + {sup 12}C (1 + 3) and the {sup 8}Be + {sup 8}Be (2 + 2) subamplitudes, respectively. Radiativemore » capture {sup 12}C(α, γ){sup 16}Oreaction is one of the most important reactions in nuclear astrophysics. For this reaction, the electric dipole transitions between states with the same isospin are forbidden in the first order. Because the state 1{sup +} and 0{sup +} ground state nuclei {sup 16}O have zero isospin, thus the electric dipole radiations are not at the first order between two levels and electric dipole radiation will be the second order and electric dipole radiation is the same order as the electric quadrupole radiation. Therefore, we must consider the effects of both radiations. In comparison with other theoretical methods and available experimental data, good agreement is achieved for the E{sub 1} and E{sub 2} contribution to the cross section and the astrophysical S factor for this process.« less

A Simple Method for Amplifying RNA Targets (SMART)

PubMed Central

McCalla, Stephanie E.; Ong, Carmichael; Sarma, Aartik; Opal, Steven M.; Artenstein, Andrew W.; Tripathi, Anubhav

2012-01-01

We present a novel and simple method for amplifying RNA targets (named by its acronym, SMART), and for detection, using engineered amplification probes that overcome existing limitations of current RNA-based technologies. This system amplifies and detects optimal engineered ssDNA probes that hybridize to target RNA. The amplifiable probe-target RNA complex is captured on magnetic beads using a sequence-specific capture probe and is separated from unbound probe using a novel microfluidic technique. Hybridization sequences are not constrained as they are in conventional target-amplification reactions such as nucleic acid sequence amplification (NASBA). Our engineered ssDNA probe was amplified both off-chip and in a microchip reservoir at the end of the separation microchannel using isothermal NASBA. Optimal solution conditions for ssDNA amplification were investigated. Although KCl and MgCl2 are typically found in NASBA reactions, replacing 70 mmol/L of the 82 mmol/L total chloride ions with acetate resulted in optimal reaction conditions, particularly for low but clinically relevant probe concentrations (≤100 fmol/L). With the optimal probe design and solution conditions, we also successfully removed the initial heating step of NASBA, thus achieving a true isothermal reaction. The SMART assay using a synthetic model influenza DNA target sequence served as a fundamental demonstration of the efficacy of the capture and microfluidic separation system, thus bridging our system to a clinically relevant detection problem. PMID:22691910

Variable pressure ionization detector for gas chromatography

DOEpatents

Buchanan, Michelle V.; Wise, Marcus B.

1988-01-01

Method and apparatus for differentiating organic compounds based on their electron affinity. An electron capture detector cell (ECD) is operated at pressures ranging from atmospheric to less than 1 torr. Through variation of the pressure within the ECD cell, the organic compounds are induced to either capture or emit electrons. Differentiation of isomeric compounds can be obtianed when, at a given pressure, one isomer is in the emission mode and the other is in the capture mode. Output of the ECD is recorded by chromatogram. The invention also includes a method for obtaining the zero-crossing pressure of a compound, defined as the pressure at which the competing emission and capture reactions are balanced and which may be correlated to the electron affinity of a compound.

On the precision of quasi steady state assumptions in stochastic dynamics

NASA Astrophysics Data System (ADS)

Agarwal, Animesh; Adams, Rhys; Castellani, Gastone C.; Shouval, Harel Z.

2012-07-01

Many biochemical networks have complex multidimensional dynamics and there is a long history of methods that have been used for dimensionality reduction for such reaction networks. Usually a deterministic mass action approach is used; however, in small volumes, there are significant fluctuations from the mean which the mass action approach cannot capture. In such cases stochastic simulation methods should be used. In this paper, we evaluate the applicability of one such dimensionality reduction method, the quasi-steady state approximation (QSSA) [L. Menten and M. Michaelis, "Die kinetik der invertinwirkung," Biochem. Z 49, 333369 (1913)] for dimensionality reduction in case of stochastic dynamics. First, the applicability of QSSA approach is evaluated for a canonical system of enzyme reactions. Application of QSSA to such a reaction system in a deterministic setting leads to Michaelis-Menten reduced kinetics which can be used to derive the equilibrium concentrations of the reaction species. In the case of stochastic simulations, however, the steady state is characterized by fluctuations around the mean equilibrium concentration. Our analysis shows that a QSSA based approach for dimensionality reduction captures well the mean of the distribution as obtained from a full dimensional simulation but fails to accurately capture the distribution around that mean. Moreover, the QSSA approximation is not unique. We have then extended the analysis to a simple bistable biochemical network model proposed to account for the stability of synaptic efficacies; the substrate of learning and memory [J. E. Lisman, "A mechanism of memory storage insensitive to molecular turnover: A bistable autophosphorylating kinase," Proc. Natl. Acad. Sci. U.S.A. 82, 3055-3057 (1985)], 10.1073/pnas.82.9.3055. Our analysis shows that a QSSA based dimensionality reduction method results in errors as big as two orders of magnitude in predicting the residence times in the two stable states.

Porous multi-component material for the capture and separation of species of interest

DOEpatents

Addleman, Raymond S.; Chouyyok, Wilaiwan; Li, Xiaohong S.; Cinson, Anthony D.; Gerasimenko, Aleksandr A

2016-06-21

A method and porous multi-component material for the capture, separation or chemical reaction of a species of interest is disclosed. The porous multi-component material includes a substrate and a composite thin film. The composite thin film is formed by combining a porous polymer with a nanostructured material. The nanostructured material may include a surface chemistry for the capture of chemicals or particles. The composite thin film is coupled to the support or device surface. The method and material provides a simple, fast, and chemically and physically benign way to integrate nanostructured materials into devices while preserving their chemical activity.

Informing neutron capture nucleosynthesis on short-lived nuclei with (d,p) reactions

NASA Astrophysics Data System (ADS)

Cizewski, Jolie A.; Ratkiewicz, Andrew; Escher, Jutta E.; Lepailleur, Alexandre; Pain, Steven D.; Potel, Gregory

2018-01-01

Neutron capture on unstable nuclei is important in understanding abundances in r-process nucleosynthesis. Previously, the non-elastic breakup of the deuteron in the (d,p) reaction has been shown to provide a neutron that can be captured by the nucleus and the gamma-ray decay of the subsequent compound nucleus can be modelled to predict the gamma-ray decay of the compound nucleus in the (n,γ) reaction. Preliminary results from the 95Mo(d,pγ) reaction in normal kinematics support the (d,pγ) reaction as a valid surrogate for neutron capture. The techniques to measure the (d,pγ) reaction in inverse kinematics have been developed.

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

Kin, Tadahiro; Oshima, Masumi; Furutaka, Kazuyoshi

We are developing a new method to identify nuclear levels based on neutron capture reactions, named 'TELLA-2.' Measured data of prompt gamma rays from {sup 33}S(n,{gamma}){sup 34}S was used to improve the method. We will show how we obtain candidates of nuclear levels.

Method and compositions for detecting of bloodstains using fluorescin-fluorescein reaction

DOEpatents

Di Benedetto, John; Kyle, Kevin; Boan, Terry; Marie, Charlene

2004-02-17

A method, compositions and kit are set forth for detecting blood stains. A reactant solution includes fluorescin solubilized (reduced) in acetic acid in ethanol. The solution may be buffered to a pH of approximately 9. After spraying the reactant solution on the suspected area an oxidizer is applied to promote the fluorescin to fluorescein reaction with the blood. The reacted fluorescein is then detected through luminescence for capture by photography.

Determination of neutron capture cross sections of 232Th at 14.1 MeV and 14.8 MeV using the neutron activation method

NASA Astrophysics Data System (ADS)

Lan, Chang-Lin; Zhang, Yi; Lv, Tao; Xie, Bao-Lin; Peng, Meng; Yao, Ze-En; Chen, Jin-Gen; Kong, Xiang-Zhong

2017-04-01

The 232Th(n, γ)233Th neutron capture reaction cross sections were measured at average neutron energies of 14.1 MeV and 14.8 MeV using the activation method. The neutron flux was determined using the monitor reaction 27Al(n,α)24Na. The induced gamma-ray activities were measured using a low background gamma ray spectrometer equipped with a high resolution HPGe detector. The experimentally determined cross sections were compared with the data in the literature, and the evaluated data of ENDF/B-VII.1, JENDL-4.0u+, and CENDL-3.1. The excitation functions of the 232Th(n,γ)233Th reaction were also calculated theoretically using the TALYS1.6 computer code. Supported by Chinese TMSR Strategic Pioneer Science and Technology Project-The Th-U Fuel Physics Term (XDA02010100) and National Natural Science Foundation of China (11205076, 21327801)

Computational designing and screening of solid materials for CO2capture

NASA Astrophysics Data System (ADS)

Duan, Yuhua

In this presentation, we will update our progress on computational designing and screening of solid materials for CO2 capture. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials have been proposed and validated at NETL. The advantage of this method is that it identifies the thermodynamic properties of the CO2 capture reaction as a function of temperature and pressure without any experimental input beyond crystallographic structural information of the solid phases involved. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to identify only those solid materials for which lower capture energy costs are expected at the desired working conditions. In addition, we present a simulation scheme to increase and decrease the turnover temperature (Tt) of solid capturing CO2 reaction by mixing other solids. Our results also show that some solid sorbents can serve as bi-functional materials: CO2 sorbent and CO oxidation catalyst. Such dual functionality could be used for removing both CO and CO2 after water-gas-shift to obtain pure H2.

Measurements of the thermal neutron cross-section and resonance integral for the 108Pd(n,γ)109Pd reaction

NASA Astrophysics Data System (ADS)

Hien, Nguyen Thi; Kim, Guinyun; Kim, Kwangsoo; Do, Nguyen Van; Khue, Pham Duc; Thanh, Kim Tien; Shin, Sung-Gyun; Cho, Moo-Hyun

2018-06-01

The thermal neutron capture cross-section (σ0) and resonance integral (I0) of the 108Pd(n,γ)109Pd reaction have been measured relative to that of the monitor reaction 197Au(n,γ)198Au. The measurements were carried out using the neutron activation with the cadmium ratio method. Both the samples and monitors were irradiated with and without cadmium cover of 0.5 mm thickness. The induced activities of the reaction products were measured with a well calibrated HPGe γ-ray detector. In order to improve the accuracy of the results, the necessary corrections for the counting losses were made. The thermal neutron capture cross-section and resonance integral of the 108Pd(n,γ)109Pd reaction were determined to be σ0,Pd = 8.68 ± 0.41 barn and I0,Pd = 245.6 ± 24.8 barn, respectively. The obtained results are compared with literature values and discussed.

New astrophysical S factor for the {sup 15}N(p,{gamma}){sup 16}O reaction via the asymptotic normalization coefficient (ANC) method

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

Mukhamedzhanov, A. M.; Gagliardi, C. A.; Goldberg, V. Z.

2008-07-15

The {sup 15}N(p,{gamma}){sup 16}O reaction provides a path from the CN cycle to the CNO bi-cycle and CNO tri-cycle. The measured astrophysical factor for this reaction is dominated by resonant capture through two strong J{sup {pi}}=1{sup -} resonances at E{sub R}=312 and 962 keV and direct capture to the ground state. Asymptotic normalization coefficients (ANCs) for the ground and seven excited states in {sup 16}O were extracted from the comparison of experimental differential cross sections for the {sup 15}N({sup 3}He,d){sup 16}O reaction with distorted-wave Born approximation calculations. Using these ANCs and proton and {alpha} resonance widths determined from an R-matrixmore » fit to the data from the {sup 15}N(p,{alpha}){sup 12}C reaction, we carried out an R-matrix calculation to obtain the astrophysical factor for the {sup 15}N(p,{gamma}){sup 16}O reaction. The results indicate that the direct capture contribution was previously overestimated. We find the astrophysical factor to be S(0)=36.0{+-}6.0 keV b, which is about a factor of 2 lower than the presently accepted value. We conclude that for every 2200{+-}300 cycles of the main CN cycle one CN catalyst is lost due to this reaction.« less

Simultaneous removal of SO2 and trace SeO2 from flue gas: effect of SO2 on selenium capture and kinetics study.

PubMed

Li, Yuzhong; Tong, Huiling; Zhuo, Yuqun; Wang, Shujuan; Xu, Xuchang

2006-12-15

Sulfur dioxide (SO2) and trace elements are all pollutants derived from coal combustion. This study relates to the simultaneous removal of SO2 and trace selenium dioxide (SeO2) from flue gas by calcium oxide (CaO) adsorption in the moderate temperature range, especially the effect of SO2 presence on selenium capture. Experiments performed on a thermogravimetric analyzer (TGA) can reach the following conclusions. When the CaO conversion is relatively low and the reaction rate is controlled by chemical kinetics, the SO2 presence does not affect the selenium capture. When the CaO conversion is very high and the reaction rate is controlled by product layer diffusion, the SO2 presence and the product layer diffusion resistance jointly reduce the selenium capture. On the basis of the kinetics study, a method to estimate the trace selenium removal efficiency using kinetic parameters and the sulfur removal efficiency is developed.

Electron emission from transfer ionization reaction in 30 keV amu‑1 He 2+ on Ar collision

NASA Astrophysics Data System (ADS)

Amaya-Tapia, A.; Antillón, A.; Estrada, C. D.

2018-06-01

A model is presented that describes the transfer ionization process in H{e}2++Ar collision at a projectile energy of 30 keV amu‑1. It is based on a semiclassical independent-particle close-coupling method that yields a reasonable agreement between calculated and experimental values of the total single-ionization and single-capture cross sections. It is found that the transfer ionization reaction is predominantly carried out through simultaneous capture and ionization, rather than by sequential processes. The transfer-ionization differential cross section in energy that is obtained satisfactorily reproduces the global behavior of the experimental data. Additionally, the probabilities of capture and ionization as function of the impact parameter for H{e}2++A{r}+ and H{e}++A{r}+ collisions are calculated, as far as we know, for the first time. The results suggest that the model captures essential elements that describe the two-electron transfer ionization process and could be applied to systems and processes of two electrons.

Structural dynamics of ribosome subunit association studied by mixing-spraying time-resolved cryo-EM

PubMed Central

Chen, Bo; Kaledhonkar, Sandip; Sun, Ming; Shen, Bingxin; Lu, Zonghuan; Barnard, David; Lu, Toh-Ming; Gonzalez, Ruben L.; Frank, Joachim

2015-01-01

Ribosomal subunit association is a key checkpoint in translation initiation, but its structural dynamics are poorly understood. Here, we used a recently developed mixing-spraying, time-resolved, cryogenic electron microscopy (cryo-EM) method to study ribosomal subunit association in the sub-second time range. We have improved this method and increased the cryo-EM data yield by tenfold. Pre-equilibrium states of the association reaction were captured by reacting the mixture of ribosomal subunits for 60 ms and 140 ms. We also identified three distinct ribosome conformations in the associated ribosomes. The observed proportions of these conformations are the same in these two time points, suggesting that ribosomes equilibrate among the three conformations within less than 60 ms upon formation. Our results demonstrate that the mixing-spraying method can capture multiple states of macromolecules during a sub-second reaction. Other fast processes, such as translation initiation, decoding and ribosome recycling, are amenable to study with this method. PMID:26004440

Portable and sensitive quantitative detection of DNA based on personal glucose meters and isothermal circular strand-displacement polymerization reaction.

PubMed

Xu, Xue-tao; Liang, Kai-yi; Zeng, Jia-ying

2015-02-15

A portable and sensitive quantitative DNA detection method based on personal glucose meters and isothermal circular strand-displacement polymerization reaction was developed. The target DNA triggered target recycling process, which opened capture DNA. The released target then found another capture DNA to trigger another polymerization cycle, which was repeated for many rounds, resulting in the multiplication of the DNA-invertase conjugation on the surface of Streptavidin-MNBs. The DNA-invertase was used to catalyze the hydrolysis of sucrose into glucose for PGM readout. There was a liner relationship between the signal of PGM and the concentration of target DNA in the range of 5.0 to 1000 fM, which is lower than some DNA detection method. In addition, the method exhibited excellent sequence selectivity and there was almost no effect of biological complex to the detection performance, which suggested our method can be successfully applied to DNA detection in real biological samples. Copyright © 2014 Elsevier B.V. All rights reserved.

Heat recovery from sorbent-based CO.sub.2 capture

DOEpatents

Jamal, Aqil; Gupta, Raghubir P

2015-03-10

The present invention provides a method of increasing the efficiency of exothermic CO.sub.2 capture processes. The method relates to withdrawing heat generated during the exothermic capture of CO.sub.2 with various sorbents via heat exchange with a working fluid. The working fluid is provided at a temperature and pressure such that it is in the liquid state, and has a vaporization temperature in a range such that the heat arising from the reaction of the CO.sub.2 and the sorbent causes a phase change from liquid to vapor state in whole or in part and transfers heat from to the working fluid. The resulting heated working fluid may subsequently be used to generate power.

Back-pack unit for capturing waterfowl and upland game by night-lighting

USGS Publications Warehouse

Drewien, R.C.; Reeves, H.M.; Springer, P.F.; Kuck, T.L.

1967-01-01

A night-lighting unit, designed as a light weight back-pack, proved successful for capturing waterfowl pairs, pheasants (Phasianus colchicus), and cottontail rabbits (Sylvilagus floridanus) during the spring and summer when most breeding populations are widely dispersed. Eighty ducks of seven species were captured in 48 hours (1.7 ducks per hour) of night-lighting in marsh habitat. Similarly, 30 pheasants were trapped in 25 hours (1.2 birds per hour) and 63 cottontail rabbits were either observed at close range (6-12 ft) or captured during night-lighting operations in upland habitat. Catch per hour of effort increased for all species as their night habitat requirements and reaction to night-lights became known. The mobile unit proved well suited for intensive use on small areas where other methods of capture were unfeasible and where representative coverage of various habitat types was desired. Besides its utility for capturing animals, the unit provided a method for studying nocturnal movements, behavior, and habitat use of marked animals.

A Simple Correlation for Neutron Capture Rates from Nuclear Masses

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

Couture, Aaron Joseph

Recent studies of neutron capture performed at LANL have revealed a previously unrecognized connection between nuclear masses and the average neutron capture cross section. A team of three scientists from Los Alamos (P-27), Yale Univ., and Istanbul Univ. (Turkey) recently discovered this connection and have published their results as a Rapid Communication in Physical Review C. Neutron capture is a reaction in which a free neutron is absorbed by the nucleus, keeping the element unchanged, but changing isotopes. This reaction is typically exothermic. As a result, the reaction can proceed even when many other reaction channels are closed. In anmore » astrophysical environment, this means that neutron capture is the primary mechanism by which all of the elements with atomic number greater than nickel are produced is neutron capture.« less

Capture reactions on C-14 in nonstandard big bang nucleosynthesis

NASA Technical Reports Server (NTRS)

Wiescher, Michael; Gorres, Joachim; Thielemann, Friedrich-Karl

1990-01-01

Nonstandard big bang nucleosynthesis leads to the production of C-14. The further reaction path depends on the depletion of C-14 by either photon, alpha, or neutron capture reactions. The nucleus C-14 is of particular importance in these scenarios because it forms a bottleneck for the production of heavier nuclei A greater than 14. The reaction rates of all three capture reactions at big bang conditions are discussed, and it is shown that the resulting reaction path, leading to the production of heavier elements, is dominated by the (p, gamma) and (n, gamma) rates, contrary to earlier suggestions.

Incorporating extrinsic noise into the stochastic simulation of biochemical reactions: A comparison of approaches

NASA Astrophysics Data System (ADS)

Thanh, Vo Hong; Marchetti, Luca; Reali, Federico; Priami, Corrado

2018-02-01

The stochastic simulation algorithm (SSA) has been widely used for simulating biochemical reaction networks. SSA is able to capture the inherently intrinsic noise of the biological system, which is due to the discreteness of species population and to the randomness of their reciprocal interactions. However, SSA does not consider other sources of heterogeneity in biochemical reaction systems, which are referred to as extrinsic noise. Here, we extend two simulation approaches, namely, the integration-based method and the rejection-based method, to take extrinsic noise into account by allowing the reaction propensities to vary in time and state dependent manner. For both methods, new efficient implementations are introduced and their efficiency and applicability to biological models are investigated. Our numerical results suggest that the rejection-based method performs better than the integration-based method when the extrinsic noise is considered.

Neutron capture therapies

DOEpatents

Yanch, Jacquelyn C.; Shefer, Ruth E.; Klinkowstein, Robert E.

1999-01-01

In one embodiment there is provided an application of the .sup.10 B(n,.alpha.).sup.7 Li nuclear reaction or other neutron capture reactions for the treatment of rheumatoid arthritis. This application, called Boron Neutron Capture Synovectomy (BNCS), requires substantially altered demands on neutron beam design than for instance treatment of deep seated tumors. Considerations for neutron beam design for the treatment of arthritic joints via BNCS are provided for, and comparisons with the design requirements for Boron Neutron Capture Therapy (BNCT) of tumors are made. In addition, exemplary moderator/reflector assemblies are provided which produce intense, high-quality neutron beams based on (p,n) accelerator-based reactions. In another embodiment there is provided the use of deuteron-based charged particle reactions to be used as sources for epithermal or thermal neutron beams for neutron capture therapies. Many d,n reactions (e.g. using deuterium, tritium or beryllium targets) are very prolific at relatively low deuteron energies.

Model validation of simple-graph representations of metabolism

PubMed Central

Holme, Petter

2009-01-01

The large-scale properties of chemical reaction systems, such as metabolism, can be studied with graph-based methods. To do this, one needs to reduce the information, lists of chemical reactions, available in databases. Even for the simplest type of graph representation, this reduction can be done in several ways. We investigate different simple network representations by testing how well they encode information about one biologically important network structure—network modularity (the propensity for edges to be clustered into dense groups that are sparsely connected between each other). To achieve this goal, we design a model of reaction systems where network modularity can be controlled and measure how well the reduction to simple graphs captures the modular structure of the model reaction system. We find that the network types that best capture the modular structure of the reaction system are substrate–product networks (where substrates are linked to products of a reaction) and substance networks (with edges between all substances participating in a reaction). Furthermore, we argue that the proposed model for reaction systems with tunable clustering is a general framework for studies of how reaction systems are affected by modularity. To this end, we investigate statistical properties of the model and find, among other things, that it recreates correlations between degree and mass of the molecules. PMID:19158012

Travelling fronts of the CO oxidation on Pd(111) with coverage-dependent diffusion

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

Cisternas, Jaime, E-mail: jecisternas@miuandes.cl; Karpitschka, Stefan; Wehner, Stefan

2014-10-28

In this work, we study a surface reaction on Pd(111) crystals under ultra-high-vacuum conditions that can be modeled by two coupled reaction-diffusion equations. In the bistable regime, the reaction exhibits travelling fronts that can be observed experimentally using photo electron emission microscopy. The spatial profile of the fronts reveals a coverage-dependent diffusivity for one of the species. We propose a method to solve the nonlinear eigenvalue problem and compute the direction and the speed of the fronts based on a geometrical construction in phase-space. This method successfully captures the dependence of the speed on control parameters and diffusivities.

Method for detecting and distinguishing between specific types of environmental radiation using a high pressure ionization chamber with pulse-mode readout

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

Degtiarenko, Pavel V.

An environmental radiation detector for detecting and distinguishing between all types of environmental radiation, including photons, charged particles, and neutrons. A large volume high pressure ionization chamber (HPIC) includes BF.sub.3 gas at a specific concentration to render the radiation detector sensitive to the reactions of neutron capture in Boron-10 isotope. A pulse-mode readout is connected to the ionization chamber capable of measuring both the height and the width of the pulse. The heavy charged products of the neutron capture reaction deposit significant characteristic energy of the reaction in the immediate vicinity of the reaction in the gas, producing a signalmore » with a pulse height proportional to the reaction energy, and a narrow pulse width corresponding to the essentially pointlike energy deposition in the gas. Readout of the pulse height and the pulse width parameters of the signals enables distinguishing between the different types of environmental radiation, such as gamma (x-rays), cosmic muons, and neutrons.« less

Decoration of silicon nanostructures with copper particles for simultaneous selective capture and mass spectrometry detection of His-tagged model peptide.

PubMed

Coffinier, Yannick; Kurylo, Ievgen; Drobecq, Hervé; Szunerits, Sabine; Melnyk, Oleg; Zaitsev, Vladimir N; Boukherroub, Rabah

2014-10-21

We present in this work a simple and fast preparation method of a new affinity surface-assisted laser/desorption ionization mass spectrometry (SALDI-MS) substrate based on silicon nanostructures decorated with copper particles. The silicon nanostructures were fabricated by the metal-assisted chemical etching (MACE) method. Then, superhydrophilic areas surrounded by superhydrophobic regions were formed through hydrosilylation reaction of 1-octadecene, followed by local degradation of the octadecyl layer. After that, copper particles were deposited in the hydrophilic areas by using the electroless method. We have demonstrated that these surfaces were able to perform high selective capture of model His-tag peptide even in a complex mixture such as serum solution. Then, the captured peptide was detected by mass spectrometry at a femtomolar level without the need of organic matrix.

Estimation of relative biological effectiveness for boron neutron capture therapy using the PHITS code coupled with a microdosimetric kinetic model

PubMed Central

Horiguchi, Hironori; Sato, Tatsuhiko; Kumada, Hiroaki; Yamamoto, Tetsuya; Sakae, Takeji

2015-01-01

Abstract The absorbed doses deposited by boron neutron capture therapy (BNCT) can be categorized into four components: α and 7Li particles from the 10B(n, α)7Li reaction, 0.54-MeV protons from the 14N(n, p)14C reaction, the recoiled protons from the 1H(n, n) 1H reaction, and photons from the neutron beam and 1H(n, γ)2H reaction. For evaluating the irradiation effect in tumors and the surrounding normal tissues in BNCT, it is of great importance to estimate the relative biological effectiveness (RBE) for each dose component in the same framework. We have, therefore, established a new method for estimating the RBE of all BNCT dose components on the basis of the microdosimetric kinetic model. This method employs the probability density of lineal energy, y, in a subcellular structure as the index for expressing RBE, which can be calculated using the microdosimetric function implemented in the particle transport simulation code (PHITS). The accuracy of this method was tested by comparing the calculated RBE values with corresponding measured data in a water phantom irradiated with an epithermal neutron beam. The calculation technique developed in this study will be useful for biological dose estimation in treatment planning for BNCT. PMID:25428243

Neutron capture on short-lived nuclei via the surrogate (d,pγ) reaction

NASA Astrophysics Data System (ADS)

Cizewski, Jolie A.; Ratkiewicz, Andrew

2018-05-01

Rapid r-process nucleosynthesis is responsible for the creation of about half of the elements heavier than iron. Neutron capture on shortlived nuclei in cold processes or during freeze out from hot processes can have a significant impact on the final observed r-process abundances. We are validating the (d,pγ) reaction as a surrogate for neutron capture with measurements on 95Mo targets and a focus on discrete transitions. The experimental results have been analyzed within the Hauser-Feshbach approach with non-elastic breakup of the deuteron providing a neutron to be captured. Preliminary results support the (d,pγ) reaction as a valid surrogate for neutron capture. We are poised to measure the (d,pγ) reaction in inverse kinematics with unstable beams following the development of the experimental techniques.

Exploring incomplete fusion fraction in 6,7Li induced nuclear reactions

NASA Astrophysics Data System (ADS)

Parkar, V. V.; Jha, V.; Kailas, S.

2017-11-01

We have included breakup effects explicitly to simultaneously calculate the measured cross-sections of the complete fusion, incomplete fusion, and total fusion for 6,7Li projectiles on various targets using the Continuum Discretized Coupled Channels method. The breakup absorption cross-sections obtained with different choices of short range imaginary potentials are utilized to evaluate the individual α-capture and d/t-capture cross-sections and compare with the measured data. It is interesting to note, while in case of 7Li projectile the cross-sections for triton-ICF/triton-capture is far more dominant than α-ICF/α-capture at all energies, similar behavior is not observed in case of 6Li projectile for the deuteron-ICF/deuteron-capture and α-ICF/α-capture. Both these observations are also corroborated by the experimental data for all the systems studied.

Thermal neutron radiative capture cross-section of 186W(n, γ)187W reaction

NASA Astrophysics Data System (ADS)

Tan, V. H.; Son, P. N.

2016-06-01

The thermal neutron radiative capture cross section for 186W(n, γ)187W reaction was measured by the activation method using the filtered neutron beam at the Dalat research reactor. An optimal composition of Si and Bi, in single crystal form, has been used as neutron filters to create the high-purity filtered neutron beam with Cadmium ratio of Rcd = 420 and peak energy En = 0.025 eV. The induced activities in the irradiated samples were measured by a high resolution HPGe digital gamma-ray spectrometer. The present result of cross section has been determined relatively to the reference value of the standard reaction 197Au(n, γ)198Au. The necessary correction factors for gamma-ray true coincidence summing, and thermal neutron self-shielding effects were taken into account in this experiment by Monte Carlo simulations.

Direct Air Capture of CO2 with an Amine Resin: A Molecular Modeling Study of the CO2 Capturing Process

PubMed Central

2017-01-01

Several reactions, known from other amine systems for CO2 capture, have been proposed for Lewatit R VP OC 1065. The aim of this molecular modeling study is to elucidate the CO2 capture process: the physisorption process prior to the CO2-capture and the reactions. Molecular modeling yields that the resin has a structure with benzyl amine groups on alternating positions in close vicinity of each other. Based on this structure, the preferred adsorption mode of CO2 and H2O was established. Next, using standard Density Functional Theory two catalytic reactions responsible for the actual CO2 capture were identified: direct amine and amine-H2O catalyzed formation of carbamic acid. The latter is a new type of catalysis. Other reactions are unlikely. Quantitative verification of the molecular modeling results with known experimental CO2 adsorption isotherms, applying a dual site Langmuir adsorption isotherm model, further supports all results of this molecular modeling study. PMID:29142339

Micro-scale thermal imaging of CO2 absorption in the thermochemical energy storage of Li metal oxides at high temperature

NASA Astrophysics Data System (ADS)

Morikawa, Junko; Takasu, Hiroki; Zamengo, Massimiliano; Kato, Yukitaka

2017-05-01

Li-Metal oxides (typical example: lithium ortho-silicate Li4SiO4) are regarded as a novel solid carbon dioxide CO2 absorbent accompanied by an exothermic reaction. At temperatures above 700°C the sorbent is regenerated with the release of the captured CO2 in an endothermic reaction. As the reaction equilibrium of this reversible chemical reaction is controllable only by the partial pressure of CO2, the system is regarded as a potential candidate for chemical heat storage at high temperatures. In this study, we applied our recent developed mobile type instrumentation of micro-scale infrared thermal imaging system to observe the heat of chemical reaction of Li4SiO4 and CO2 at temperature higher than 600°C or higher. In order to quantify the micro-scale heat transfer and heat exchange in the chemical reaction, the superimpose signal processing system is setup to determine the precise temperature. Under an ambient flow of carbon dioxide, a powder of Li4SiO4 with a diameter 50 micron started to shine caused by an exothermic chemical reaction heat above 600°C. The phenomena was accelerated with increasing temperature up to 700°C. At the same time, the reaction product lithium carbonate (Li2CO3) started to melt with endothermic phase change above 700°C, and these thermal behaviors were captured by the method of thermal imaging. The direct measurement of multiple thermal phenomena at high temperatures is significant to promote an efficient design of chemical heat storage materials. This is the first observation of the exothermic heat of the reaction of Li4SiO4 and CO2 at around 700°C by the thermal imaging method.

Ion dipole capture cross sections at low ion and rotational energies - Comparison of integrated capture cross sections with reaction cross sections for NH3 and H2O parent-ion collisions.

NASA Technical Reports Server (NTRS)

Dugan, J. V., Jr.; Canright, R. B., Jr.

1972-01-01

The numerical capture cross section is calculated from the capture ratio, defined as the fraction of trajectories reaching a prescribed minimum separation of 3 A. The calculated capture cross sections for a rotational temperature of 77 K suggest large reaction cross sections in 80 K experiments for the large dipole-moment target, methyl cyanide.

Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions

NASA Astrophysics Data System (ADS)

Oliveira, Luiz F. L.; Fu, Christopher D.; Pfaendtner, Jim

2018-04-01

Infrequent metadynamics uses biased simulations to estimate the unbiased kinetics of a system, facilitating the calculation of rates and barriers. Here the method is applied to study intramolecular hydrogen transfer reactions involving peroxy radicals, a class of reactions that is challenging to model due to the entropic contributions of the formation of ring structures in the transition state. Using the self-consistent charge density-functional based tight-binding (DFTB) method, we applied infrequent metadynamics to the study of four intramolecular H-transfer reactions, demonstrating that the method can qualitatively reproduce these high entropic contributions, as observed in experiments and those predicted by transition state theory modeled by higher levels of theory. We also show that infrequent metadynamics and DFTB are successful in describing the relationship between transition state ring size and kinetic coefficients (e.g., activation energies and the pre-exponential factors).

Radiative capture reactions in astrophysics

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

Brune, Carl R.; Davids, Barry

Here, the radiative capture reactions of greatest importance in nuclear astrophysics are identified and placed in their stellar contexts. Recent experimental efforts to estimate their thermally averaged rates are surveyed.

Radiative capture reactions in astrophysics

DOE PAGES

Brune, Carl R.; Davids, Barry

2015-08-07

Here, the radiative capture reactions of greatest importance in nuclear astrophysics are identified and placed in their stellar contexts. Recent experimental efforts to estimate their thermally averaged rates are surveyed.

Using constrained information entropy to detect rare adverse drug reactions from medical forums.

PubMed

Yi Zheng; Chaowang Lan; Hui Peng; Jinyan Li

2016-08-01

Adverse drug reactions (ADRs) detection is critical to avoid malpractices yet challenging due to its uncertainty in pre-marketing review and the underreporting in post-marketing surveillance. To conquer this predicament, social media based ADRs detection methods have been proposed recently. However, existing researches are mostly co-occurrence based methods and face several issues, in particularly, leaving out the rare ADRs and unable to distinguish irrelevant ADRs. In this work, we introduce a constrained information entropy (CIE) method to solve these problems. CIE first recognizes the drug-related adverse reactions using a predefined keyword dictionary and then captures high- and low-frequency (rare) ADRs by information entropy. Extensive experiments on medical forums dataset demonstrate that CIE outperforms the state-of-the-art co-occurrence based methods, especially in rare ADRs detection.

Survival-mediated capture and fusion cross sections for heavy-element synthesis

NASA Astrophysics Data System (ADS)

Yao, L.; Loveland, W.

2018-01-01

The cross section for producing a heavy evaporation residue σEVR in a fusion reaction can be written as a product of three nonseparable factors, i.e., the capture cross section, the fusion probability PCN, and the survival probability Wsur. Each of these factors is dependent on the spin. However, one must remember that the Wsur term is zero or very small for higher spin values, thus effectively limiting the capture and fusion terms. For a series of ˜287 reactions leading to heavy evaporation residues with ZCN≤110 , we point out the implications of this fact for capture cross sections for heavy element formation reactions. From a comparison of calculated and measured evaporation residue cross sections we deduce values of the fusion probability PCN for some of these reactions.

Neutron radiative capture reactions on nuclei of relevance to 0νββ, dark matter and neutrino/antineutrino searches

NASA Astrophysics Data System (ADS)

Tornow, W.; Bhike, Megha

2015-05-01

A program is underway at the Triangle Universities Nuclear Laboratory (TUNL) to measure the neutron capture cross section in the 0.5 to 15 MeV energy range on nuclei whose radioactive daughters could potentially create backgrounds in searches for rare events. Here, we refer to neutrino-less double-beta decay and dark-matter searches, and to detectors built for neutrino and/or antineutrino studies. Neutron capture cross-section data obtained by using the activation method are reported for 40Ar, 74,76Ge, 128,130Te and 136Xe and compared to model calculations and evaluations.

Estimation of relative biological effectiveness for boron neutron capture therapy using the PHITS code coupled with a microdosimetric kinetic model.

PubMed

Horiguchi, Hironori; Sato, Tatsuhiko; Kumada, Hiroaki; Yamamoto, Tetsuya; Sakae, Takeji

2015-03-01

The absorbed doses deposited by boron neutron capture therapy (BNCT) can be categorized into four components: α and (7)Li particles from the (10)B(n, α)(7)Li reaction, 0.54-MeV protons from the (14)N(n, p)(14)C reaction, the recoiled protons from the (1)H(n, n) (1)H reaction, and photons from the neutron beam and (1)H(n, γ)(2)H reaction. For evaluating the irradiation effect in tumors and the surrounding normal tissues in BNCT, it is of great importance to estimate the relative biological effectiveness (RBE) for each dose component in the same framework. We have, therefore, established a new method for estimating the RBE of all BNCT dose components on the basis of the microdosimetric kinetic model. This method employs the probability density of lineal energy, y, in a subcellular structure as the index for expressing RBE, which can be calculated using the microdosimetric function implemented in the particle transport simulation code (PHITS). The accuracy of this method was tested by comparing the calculated RBE values with corresponding measured data in a water phantom irradiated with an epithermal neutron beam. The calculation technique developed in this study will be useful for biological dose estimation in treatment planning for BNCT. © The Author 2014. Published by Oxford University Press on behalf of The Japan Radiation Research Society and Japanese Society for Radiation Oncology.

A Highly Sensitive Method for Quantitative Determination of Abscisic Acid 1

PubMed Central

Michler, Charles H.; Lineberger, R. Daniel; Chism, Grady W.

1986-01-01

An abscisic acid derivative was formed by reaction with pentafluorobenzyl bromide which allowed highly sensitive detection by gas-liquid chromatography with electron capture detection. In comparison to the methyl ester derivative, the pentafluorobenzyl derivative of abscisic acid was four times more sensitive to electron capture detection and was stable at room temperature in the presence of ultraviolet light. Derivatization was rapid and the molecular weight of the new compound was confirmed by gas-liquid chromatography-mass spectrometry. PMID:16665076

Postmarket Drug Surveillance Without Trial Costs: Discovery of Adverse Drug Reactions Through Large-Scale Analysis of Web Search Queries

PubMed Central

Gabrilovich, Evgeniy

2013-01-01

Background Postmarket drug safety surveillance largely depends on spontaneous reports by patients and health care providers; hence, less common adverse drug reactions—especially those caused by long-term exposure, multidrug treatments, or those specific to special populations—often elude discovery. Objective Here we propose a low cost, fully automated method for continuous monitoring of adverse drug reactions in single drugs and in combinations thereof, and demonstrate the discovery of heretofore-unknown ones. Methods We used aggregated search data of large populations of Internet users to extract information related to drugs and adverse reactions to them, and correlated these data over time. We further extended our method to identify adverse reactions to combinations of drugs. Results We validated our method by showing high correlations of our findings with known adverse drug reactions (ADRs). However, although acute early-onset drug reactions are more likely to be reported to regulatory agencies, we show that less acute later-onset ones are better captured in Web search queries. Conclusions Our method is advantageous in identifying previously unknown adverse drug reactions. These ADRs should be considered as candidates for further scrutiny by medical regulatory authorities, for example, through phase 4 trials. PMID:23778053

Calculation of astrophysical S-factor in reaction ^{13}C(p,γ )^{14}N for first resonance levels

NASA Astrophysics Data System (ADS)

Moghadasi, A.; Sadeghi, H.; Pourimani, R.

2018-01-01

The ^{13}C(p,γ )^{14}N reaction is one of the important reactions in the CNO cycle, which is a key process in nucleosynthesis. We first calculated wave functions for the bound state of ^{14}N with Faddeev's method. In this method, the considered reaction components are ^{12}C+n+p. Then, by using direct capture cross section and Breit-Wigner formulae, the non-resonant and resonant cross sections were calculated, respectively. In the next step, we calculated the total S-factor and compared it with experimental data, which showed good agreement between them. Next, we extrapolated the S-factor for the transition to the ground state at zero energy and obtained S(0)=5.8 ± 0.7 (keV b) and then calculate reaction rate. These ones are in agreement with previous reported results.

Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics

DOE PAGES

Pant, Lalit M.; Weber, Adam Z.

2017-04-14

A new semi-analytical agglomerate model is presented for polymer-electrolyte fuel-cell cathodes. The model uses double-trap kinetics for the oxygen-reduction reaction, which can capture the observed potential-dependent coverage and Tafel-slope changes. An iterative semi-analytical approach is used to obtain reaction rate constants from the double-trap kinetics, oxygen concentration at the agglomerate surface, and overall agglomerate reaction rate. The analytical method can predict reaction rates within 2% of the numerically simulated values for a wide range of oxygen concentrations, overpotentials, and agglomerate sizes, while saving simulation time compared to a fully numerical approach.

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

NASA Astrophysics Data System (ADS)

Andreoni, Wanda; Pietrucci, Fabio

2016-12-01

Absorption in aqueous amine solutions is the most advanced technology for the capture of CO2, although suffering from drawbacks that do not allow exploitation on large scale. The search for optimum solvents has been pursued with empirical methods and has also motivated a number of computational approaches over the last decade. However, a deeper level of understanding of the relevant chemical reactions in solution is required so as to contribute to this effort. We present here a brief critical overview of the most recent applications of computer simulations using ab initio methods. Comparison of their outcome shows a strong dependence on the structural models employed to represent the molecular systems in solution and on the strategy used to simulate the reactions. In particular, the results of very recent ab initio molecular dynamics augmented with metadynamics are summarized, showing the crucial role of water, which has been so far strongly underestimated both in the calculations and in the interpretation of experimental data. Indications are given for advances in computational approaches that are necessary if meant to contribute to the rational design of new solvents.

Astrophysical S factor for the radiative capture {sup 12}N(p,{gamma}){sup 13}O determined from the {sup 14}N({sup 12}N,{sup 13}O){sup 13}C proton transfer reaction

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

Banu, A.; Al-Abdullah, T.; Fu, C.

2009-02-15

The cross section of the radiative proton capture reaction on the drip line nucleus {sup 12}N was investigated using the asymptotic normalization coefficient (ANC) method. We have used the {sup 14}N({sup 12}N,{sup 13}O){sup 13}C proton transfer reaction at 12 MeV/nucleon to extract the ANC for {sup 13}O{yields}{sup 12}N+p and calculate from it the direct component of the astrophysical S factor of the {sup 12}N(p,{gamma}){sup 13}O reaction. The optical potentials used and the distorted-wave Born approximation analysis of the proton transfer reaction are discussed. For the entrance channel, the optical potential was inferred from an elastic scattering measurement carried out atmore » the same time as the transfer measurement. From the transfer, we determined the square of the ANC, C{sub p{sub 1/2}}{sup 2}({sup 13}O{sub g.s.})=2.53{+-}0.30 fm{sup -1}, and hence a value of 0.33(4) keV b was obtained for the direct astrophysical S factor at zero energy. Constructive interference at low energies between the direct and resonant captures leads to an enhancement of S{sub total}(0)=0.42(6) keV b. The {sup 12}N(p,{gamma}){sup 13}O reaction was investigated in relation to the evolution of hydrogen-rich massive Population III stars, for the role that it may play in the hot pp-chain nuclear burning processes, possibly occurring in such objects.« less

Development of an Antigen Capture Enzyme-Linked Immunosorbent Assay for Virus Detection Based on Porcine Epidemic Diarrhea Virus Monoclonal Antibodies

PubMed Central

Wang, Zanyu; Jiyuan, Yin; Su, Chen; Xinyuan, Qiao

2015-01-01

Abstract Porcine epidemic diarrhea virus (PEDV), a coronavirus, can cause acute diarrhea and dehydration in pigs. In the current study, two positive monoclonal cell lines (5D7 and 3H4) specific for PEDV were established, and the immunoreactivity of the monoclonal antibodies was confirmed by immunofluorescence and dot-immunobinding assays. A method, termed antigen capture enzyme-linked immunosorbent assay (AC-ELISA), which used the monoclonal antibody 5D7 as the detecting antibody and rabbit antiserum of PEDV protein S as the capture antibody, was developed. Compared with the reverse transcription polymerase chain reaction method of detecting PEDV in fecal samples, AC-ELISA showed similar sensitivity and specificity. These results suggested that AC-ELISA would be useful for the diagnosis and epidemiological studies of PEDV. PMID:25658793

"Other" indirect methods for nuclear astrophysics

NASA Astrophysics Data System (ADS)

Trache, Livius

2018-01-01

In the house of Trojan Horse Method (THM), I will say a few words about "other" indirect methods we use in Nuclear Physics for Astrophysics. In particular those using Rare Ion Beams that can be used to evaluate radiative proton capture reactions. I add words about work done with the Professore we celebrate today. With a proposal, and some results with TECSA, for a simple method to produce and use isomeric beam of 26mAl.

One-nucleon pickup reactions and compound-nuclear decays

NASA Astrophysics Data System (ADS)

Escher, J. E.; Burke, J. T.; Casperson, R. J.; Hughes, R. O.; Scielzo, N. D.

2018-05-01

One-nucleon transfer reactions, long used as a tool to study the structure of nuclei, are potentially valuable for determining reaction cross sections indirectly. This is significant, as many reactions of interest to astrophysics and other applications involve short-lived isotopes and cannot be measured directly. We describe a procedure for obtaining constraints for calculations of neutron capture cross sections using observables from experiments with transfer reactions. As a first step toward demonstrating the method, we outline the theory developments used to properly describe the production of the compound nucleus 88Y* via the one-nucleon pickup reaction 89Y(p,d)88Y* and test the description with data from a recent experiment. We indicate how this development can be used to extract the unknown 87Y(n,γ) cross section from 89Y(p,dγ) data. The example illustrates a more generally applicable method for determining unknown cross sections via a combination of theory and transfer (or inelastic scattering) experiments.

Hierarchical calibration and validation for modeling bench-scale solvent-based carbon capture. Part 1: Non-reactive physical mass transfer across the wetted wall column: Original Research Article: Hierarchical calibration and validation for modeling bench-scale solvent-based carbon capture

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

Wang, Chao; Xu, Zhijie; Lai, Canhai

A hierarchical model calibration and validation is proposed for quantifying the confidence level of mass transfer prediction using a computational fluid dynamics (CFD) model, where the solvent-based carbon dioxide (CO2) capture is simulated and simulation results are compared to the parallel bench-scale experimental data. Two unit problems with increasing level of complexity are proposed to breakdown the complex physical/chemical processes of solvent-based CO2 capture into relatively simpler problems to separate the effects of physical transport and chemical reaction. This paper focuses on the calibration and validation of the first unit problem, i.e. the CO2 mass transfer across a falling ethanolaminemore » (MEA) film in absence of chemical reaction. This problem is investigated both experimentally and numerically using nitrous oxide (N2O) as a surrogate for CO2. To capture the motion of gas-liquid interface, a volume of fluid method is employed together with a one-fluid formulation to compute the mass transfer between the two phases. Bench-scale parallel experiments are designed and conducted to validate and calibrate the CFD models using a general Bayesian calibration. Two important transport parameters, e.g. Henry’s constant and gas diffusivity, are calibrated to produce the posterior distributions, which will be used as the input for the second unit problem to address the chemical adsorption of CO2 across the MEA falling film, where both mass transfer and chemical reaction are involved.« less

The evaluation of a new method to extract spectroscopic factors using asymptotic normalization coefficients and the astrophysical ^14C(n,γ)^15C reaction rate

NASA Astrophysics Data System (ADS)

McCleskey, M.; Mukhamedzhanov, A. M.; Trache, L.; Banu, A.; Goldberg, V.; Roeder, B. T.; Simmons, E. N.; Spiridon, A.; Tribble, R. E.

2011-10-01

A new method to determine spectroscopic factors (SFs) that utilizes asymptotic normalization coefficients (ANCs) has been tested at Texas A&M, using ^15C as a test case. The method would use the ANC to fix the external contribution to a non-peripheral reaction which would otherwise be free to vary to unphysical values in a traditional approach. The investigation consisted of two parts. First, the ANC for the ^14C+n configuration in ^15C was determined from the heavy ion neutron transfer reaction ^13C(^14C,^15C)^12C and the inverse kinematics reaction d(^14C,p)^15C. Both of these reactions were measured at sufficiently low energy to be peripheral. Next, a non-peripheral reaction ^14C(d,p)^15C was measured with an incident deuteron energy of 60 MeV, and this reaction was used along with the previously determined ANC to attempt to find the SF. The ANC was also used to calculate the astrophysical neutron direct capture rate for ^14C(n,γ)^15C, which was compared with recent direct experimental results.

Isotope separation by photoselective dissociative electron capture

DOEpatents

Stevens, C.G.

1978-08-29

Disclosed is a method of separating isotopes based on photoselective electron capture dissociation of molecules having an electron capture cross section dependence on the vibrational state of the molecule. A molecular isotope source material is irradiated to selectively excite those molecules containing a desired isotope to a predetermined vibrational state having associated therewith an electron capture energy region substantially non-overlapping with the electron capture energy ranges associated with the lowest vibration states of the molecules. The isotope source is also subjected to electrons having an energy corresponding to the non-overlapping electron capture region whereby the selectively excited molecules preferentially capture electrons and dissociate into negative ions and neutrals. The desired isotope may be in the negative ion product or in the neutral product depending upon the mechanism of dissociation of the particular isotope source used. The dissociation product enriched in the desired isotope is then separated from the reaction system by conventional means. Specifically, [sup 235]UF[sub 6] is separated from a UF[sub 6] mixture by selective excitation followed by dissociative electron capture into [sup 235]UF[sub 5]- and F. 2 figs.

Isotope separation by photoselective dissociative electron capture

DOEpatents

Stevens, Charles G. [Pleasanton, CA

1978-08-29

A method of separating isotopes based on photoselective electron capture dissociation of molecules having an electron capture cross section dependence on the vibrational state of the molecule. A molecular isotope source material is irradiated to selectively excite those molecules containing a desired isotope to a predetermined vibrational state having associated therewith an electron capture energy region substantially non-overlapping with the electron capture energy ranges associated with the lowest vibration states of the molecules. The isotope source is also subjected to electrons having an energy corresponding to the non-overlapping electron capture region whereby the selectively excited molecules preferentially capture electrons and dissociate into negative ions and neutrals. The desired isotope may be in the negative ion product or in the neutral product depending upon the mechanism of dissociation of the particular isotope source used. The dissociation product enriched in the desired isotope is then separated from the reaction system by conventional means. Specifically, .sup.235 UF.sub.6 is separated from a UF.sub.6 mixture by selective excitation followed by dissociative electron capture into .sup.235 UF.sub.5 - and F.

Measurement of gamma-ray production from thermal neutron capture on gadolinium for neutrino experiments

NASA Astrophysics Data System (ADS)

Yano, Takatomi; 2012B0025 Collaboration; 2014B0126 Collaboration

2017-02-01

Recently, several scientific applications of gadolinium are found in neutrino physics experiments. Gadolinium-157 is the nucleus, which has the largest thermal neutron capture cross-section among all stable nuclei. Gadolinium-155 also has the large cross-section. These neutron capture reactions provide the gamma-ray cascade with the total energy of about 8 MeV. This reaction is applied for several neutrino experiments, e.g. reactor neutrino experiments and Gd doped large water Cherenkov detector experiments, to recognize inverse-beta-decay reaction. A good Gd(n,γ) simulation model is needed to evaluate the detection efficiency of the neutron capture reaction, i.e. the efficiency of IBD detection. In this presentation, we will report the development and study status of a Gd(n,γ) calculation model and comparison with our experimental data taken at ANNRI/MLF beam line, J-PARC.

Comparison of Muon Capture in Light and in Heavy Nuclei

NASA Astrophysics Data System (ADS)

Measday, David F.; Stocki, Trevor J.

2007-10-01

We have recently completed an experimental study at TRIUMF of muon capture in the following elements, N, Al, Si, Ca, Fe, Ni, I, Au, and Bi. We detected the nuclear gamma rays emitted by the product nuclei after muon capture. The energy of the gamma ray identifies the source nuclide, and thus the reaction which has occurred. Our data are of better quality, and more comprehensive than any other data set in the literature. The (μ-,νn) reaction is always dominant. In light nuclei, reactions such as (μ-,νp) and (μ-,νpn) can occur, but not for heavy nuclei. However the reverse is true for reactions such as (μ-,ν3n) and (μ-,ν4n), which are very rare in light nuclei, but easily detected in heavy elements. We shall discuss how such information can be useful in calculations of neutrino-nucleus interactions, and of electron-capture in supernovae.

Validating (d,p gamma) as a Surrogate for Neutron Capture

DOE PAGES

Ratkiewicz, A.; Cizewski, J.A.; Pain, S.D.; ...

2015-05-28

The r-process is responsible for creating roughly half of the elements heavier than iron. It has recently become understood that the rates at which neutron capture reactions proceed at late times in the r-process may dramatically affect the final abundance pattern. However, direct measurements of neutron capture reaction rates on exotic nuclei are exceptionally difficult, necessitating the development of indirect approaches such as the surrogate technique. The (d,pγ) reaction at low energies was identified as a promising surrogate for the (n,γ) reaction, as both reactions share many characteristics. We report on a program to validate (d,pγ) as a surrogate formore » (n,γ) using 95Mo as a target. The experimental campaign includes direct measurements of the γ-ray intensities from the decay of excited states populated in the 95Mo(n,γ) and 95Mo(d,pγ) reactions.« less

Sensitive detection of point mutation using exponential strand displacement amplification-based surface enhanced Raman spectroscopy.

PubMed

Huang, Si-Qiang; Hu, Juan; Zhu, Guichi; Zhang, Chun-Yang

2015-03-15

Accurate identification of point mutation is particularly imperative in the field of biomedical research and clinical diagnosis. Here, we develop a sensitive and specific method for point mutation assay using exponential strand displacement amplification (SDA)-based surface enhanced Raman spectroscopy (SERS). In this method, a discriminating probe and a hairpin probe are designed to specifically recognize the sequence of human K-ras gene. In the presence of K-ras mutant target (C→T), the 3'-terminal of discriminating probe and the 5'-terminal of hairpin probe can be ligated to form a SDA template. Subsequently, the 3'-terminal of hairpin probe can function as a primer to initiate the SDA reaction, producing a large amount of triggers. The resultant triggers can further hybridize with the discriminating probes to initiate new rounds of SDA reaction, leading to an exponential amplification reaction. With the addition of capture probe-modified gold nanoparticles (AuNPs) and the Rox-labeled reporter probes, the amplified triggers can be assembled on the surface of AuNPs through the formation of sandwich hybrids of capture probe-trigger-reporter probe, generating a strong Raman signal. While in the presence of K-ras wild-type target (C), neither ligation nor SDA reaction can be initiated and no Raman signal is observed. The proposed method exhibits high sensitivity with a detection limit of 1.4pM and can accurately discriminate as low as 1% variant frequency from the mixture of mutant target and wild-type target. Importantly, this method can be further applied to analyze the mutant target in the spiked HEK293T cell lysate, holding great potential for genetic analysis and disease prognosis. Copyright © 2014 Elsevier B.V. All rights reserved.

Neutron capture by hook or by crook

NASA Astrophysics Data System (ADS)

Mosby, Shea

2016-03-01

The neutron capture reaction is a topic of fundamental interest for both heavy element (A>60) nucleosynthesis and applications in such fields as nuclear energy and defense. The full suite of interesting isotopes ranges from stable nuclei to the most exotic, and it is not possible to directly measure all the relevant reaction rates. The DANCE instrument at Los Alamos provides direct access to the neutron capture reaction for stable and long-lived nuclei, while Apollo coupled to HELIOS at Argonne has been developed as an indirect probe for cases where a direct measurement is impossible. The basic techniques and their implications will be presented, and the status of ongoing experimental campaigns to address neutron capture in the A=60 and A=100 mass regions will be discussed.

Development of a Single-Step Subtraction Method for Eukaryotic 18S and 28S Ribonucleic Acids

DTIC Science & Technology

2011-01-01

ng of total RNA (92.5% rat thymus RNA/7.41% E . coli RNA). The reactions were performed according to the manufacture’s instruction. For the low target...capture conditions. The input RNA used was either 500 ng or 1000 ng of rat thymus RNA or total RNA (92.5% rat thymus RNA/7.41% E . coli RNA). 2.7. Real...concentrations. Rat thymus RNA (mammalian components) with E . coli RNA (bacterial target) was used as a model system to test the capture efficiency and monitor

Colorimetry and SERS dual-mode detection of telomerase activity: combining rapid screening with high sensitivity

NASA Astrophysics Data System (ADS)

Zong, Shenfei; Wang, Zhuyuan; Chen, Hui; Hu, Guohua; Liu, Min; Chen, Peng; Cui, Yiping

2014-01-01

As an important biomarker and therapeutic target, telomerase has attracted considerable attention concerning its detection and monitoring. Here, we present a colorimetry and surface enhanced Raman scattering (SERS) dual-mode telomerase activity detection method, which has several distinctive advantages. First, colorimetric functionality allows rapid preliminary discrimination of telomerase activity by the naked eye. Second, the employment of SERS technique results in greatly improved detection sensitivity. Third, the combination of colorimetry and SERS into one detection system can ensure highly efficacious and sensitive screening of numerous samples. Besides, the avoidance of polymerase chain reaction (PCR) procedures further guarantees fine reliability and simplicity. Generally, the presented method is realized by an ``elongate and capture'' procedure. To be specific, gold nanoparticles modified with Raman molecules and telomeric repeat complementary oligonucleotide are employed as the colorimetric-SERS bifunctional reporting nanotag, while magnetic nanoparticles functionalized with telomerase substrate oligonucleotide are used as the capturing substrate. Telomerase can synthesize and elongate telomeric repeats onto the capturing substrate. The elongated telomeric repeats subsequently facilitate capturing of the reporting nanotag via hybridization between telomeric repeat and its complementary strand. The captured nanotags can cause a significant difference in the color and SERS intensity of the magnetically separated sediments. Thus both the color and SERS can be used as indicators of the telomerase activity. With fast screening ability and outstanding sensitivity, we anticipate that this method would greatly promote practical application of telomerase-based early-stage cancer diagnosis.As an important biomarker and therapeutic target, telomerase has attracted considerable attention concerning its detection and monitoring. Here, we present a colorimetry and surface enhanced Raman scattering (SERS) dual-mode telomerase activity detection method, which has several distinctive advantages. First, colorimetric functionality allows rapid preliminary discrimination of telomerase activity by the naked eye. Second, the employment of SERS technique results in greatly improved detection sensitivity. Third, the combination of colorimetry and SERS into one detection system can ensure highly efficacious and sensitive screening of numerous samples. Besides, the avoidance of polymerase chain reaction (PCR) procedures further guarantees fine reliability and simplicity. Generally, the presented method is realized by an ``elongate and capture'' procedure. To be specific, gold nanoparticles modified with Raman molecules and telomeric repeat complementary oligonucleotide are employed as the colorimetric-SERS bifunctional reporting nanotag, while magnetic nanoparticles functionalized with telomerase substrate oligonucleotide are used as the capturing substrate. Telomerase can synthesize and elongate telomeric repeats onto the capturing substrate. The elongated telomeric repeats subsequently facilitate capturing of the reporting nanotag via hybridization between telomeric repeat and its complementary strand. The captured nanotags can cause a significant difference in the color and SERS intensity of the magnetically separated sediments. Thus both the color and SERS can be used as indicators of the telomerase activity. With fast screening ability and outstanding sensitivity, we anticipate that this method would greatly promote practical application of telomerase-based early-stage cancer diagnosis. Electronic supplementary information (ESI) available: TEM images of individual MB@Au NPs, results of dynamic light scattering analysis and extinction spectrum obtained using colorimetry detection. See DOI: 10.1039/c3nr04942f

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

Oshima, Masumi; Kin, Tadahiro; Kimura, Atsushi

Multi-step cascades from the {sup 62}Ni(n{sub cold},{gamma}) {sup 63}Ni reaction were studied via a {gamma}-ray spectroscopy method. With a {gamma}-ray detector array multiple {gamma}-ray coincident events were accumulated. By selecting full cascade events from the capture state to the ground state, we have developed a new computer-based level construction method and it is applied to excited level assignment in {sup 63}Ni.

γ{\\hbox-}Flash suppression using a gated photomultiplier assembled with an LaBr3(Ce) detector to measure fast neutron capture reactions

NASA Astrophysics Data System (ADS)

Hara, K. Y.; Harada, H.; Toh, Y.; Hori, J.

2013-09-01

A gated photomultiplier tube (PMT) assembled with an LaBr3(Ce) detector was applied toward the prompt γ{hbox-}ray measurement of fast neutron capture reactions. Time-of-flight measurements of the neutron capture reactions of Cl and Al were performed using the 46-MeV electron linear accelerator at the Kyoto University Research Reactor Institute (KURRI) as a pulsed neutron source. The photomultiplier gating technique effectively suppressed the saturation of the PMT output and extended the energy region of the TOF measurement.

Establishing a theory for deuteron-induced surrogate reactions

NASA Astrophysics Data System (ADS)

Potel, G.; Nunes, F. M.; Thompson, I. J.

2015-09-01

Background: Deuteron-induced reactions serve as surrogates for neutron capture into compound states. Although these reactions are of great applicability, no theoretical efforts have been invested in this direction over the last decade. Purpose: The goal of this work is to establish on firm grounds a theory for deuteron-induced neutron-capture reactions. This includes formulating elastic and inelastic breakup in a consistent manner. Method: We describe this process both in post- and prior-form distorted wave Born approximation following previous works and discuss the differences in the formulation. While the convergence issues arising in the post formulation can be overcome in the prior formulation, in this case one still needs to take into account additional terms due to nonorthogonality. Results: We apply our method to the 93Nb(d ,p )X at Ed=15 and 25 MeV and are able to obtain a good description of the data. We look at the various partial wave contributions, as well as elastic versus inelastic contributions. We also connect our formulation with transfer to neutron bound states. Conclusions: Our calculations demonstrate that the nonorthogonality term arising in the prior formulation is significant and is at the heart of the long-standing controversy between the post and the prior formulations of the theory. We also show that the cross sections for these reactions are angular-momentum dependent and therefore the commonly used Weisskopf limit is inadequate. Finally, we make important predictions for the relative contributions of elastic breakup and nonelastic breakup and call for elastic-breakup measurements to further constrain our model.

Establishing a theory for deuteron induced surrogate reactions

DOE PAGES

Potel, G.; Nunes, F. M.; Thompson, I. J.

2015-09-18

Background: Deuteron-induced reactions serve as surrogates for neutron capture into compound states. Although these reactions are of great applicability, no theoretical efforts have been invested in this direction over the last decade. Purpose: The goal of this work is to establish on firm grounds a theory for deuteron-induced neutron-capture reactions. This includes formulating elastic and inelastic breakup in a consistent manner. Method: We describe this process both in post- and prior-form distorted wave Born approximation following previous works and discuss the differences in the formulation. While the convergence issues arising in the post formulation can be overcome in the priormore » formulation, in this case one still needs to take into account additional terms due to nonorthogonality. Results: We apply our method to the Nb93(d,p)X at Ed=15 and 25 MeV and are able to obtain a good description of the data. We then look at the various partial wave contributions, as well as elastic versus inelastic contributions. We also connect our formulation with transfer to neutron bound states.Conclusions: Our calculations demonstrate that the nonorthogonality term arising in the prior formulation is significant and is at the heart of the long-standing controversy between the post and the prior formulations of the theory. We also show that the cross sections for these reactions are angular-momentum dependent and therefore the commonly used Weisskopf limit is inadequate. We finally make important predictions for the relative contributions of elastic breakup and nonelastic breakup and call for elastic-breakup measurements to further constrain our model.« less

Neutron-capture rates for explosive nucleosynthesis: the case of 68Ni(n, γ) 69Ni

DOE PAGES

Spyrou, Artemis; Larsen, Ann-Cecilie; Liddick, Sean N.; ...

2017-02-22

Neutron-capture reactions play an important role in heavy element nucleosynthesis, since they are the driving force for the two processes that create the vast majority of the heavy elements. When a neutron capture occurs on a short-lived nucleus, it is extremely challenging to study the reaction directly and therefore the use of indirect techniques is essential. The present work reports on such an indirect measurement that provides strong constraints on the 68Ni(n,g) 69Ni reaction rate.The commonly used reaction libraries JINA-REACLIB and BRUSLIB are in relatively good agreement with the experimental rate. The impact of the new rate on weak r-processmore » calculations is discussed.« less

Measuring radiative capture rates at DRAGON

NASA Astrophysics Data System (ADS)

Hager, U.; Davids, B.; Fallis, J.; Greife, U.; Hutcheon, D. A.; Rojas, A.; Ruiz, C.

2013-04-01

The DRAGON recoil separator facility is located at the ISAC facility at TRIUMF, Vancouver. It is designed to measure radiative alpha and proton capture reactions of astrophysical importance in inverse kinematics. The Supernanogan ion source at ISAC provides stable beams of high intensities. The DRAGON collaboration has taken advantage of this over the last years by measuring several reactions requiring high-intensity stable oxygen beams. In particular,the ^17O(p,γ) and ^16O(α,γ) reaction rates were recently measured. The former reaction is part of the hot CNO cycle, and strongly influences the abundance of ^18F in classical novae. Because of its relatively long lifetime, ^18F is a possible target for satellite-based gamma-ray spectroscopy. The ^16O(α,γ) reaction plays a role in steady-state helium burning in massive stars, where it follows the ^12C(α,γ) reaction. At astrophysically relevant energies, the reaction proceeds exclusively via direct capture, resulting in a low rate. In both cases, the unique capabilities of DRAGON enabled determination not only of the total reaction rates, but also of decay branching ratios. Results from both experiments will be presented.

FUNDAMENTAL PROCESSES INVOLVED IN SO2 CAPTURE BY CALCIUM-BASED ADSORBENTS

EPA Science Inventory

The paper discusses the fundamental processes in sulfur dioxide (SO2) capture by calcium-based adsorbents for upper furnace, duct, and electrostatic precipitator (ESP) reaction sites. It examines the reactions in light of controlling mechanisms, effect of sorbent physical propert...

Application of a unique server-based oligonucleotide probe selection tool toward a novel biosensor for the detection of Streptococcus pyogenes.

PubMed

Nugen, Sam R; Leonard, Barbara; Baeumner, Antje J

2007-05-15

We developed a software program for the rapid selection of detection probes to be used in nucleic acid-based assays. In comparison to commercially available software packages, our program allows the addition of oligotags as required by nucleic acid sequence-based amplification (NASBA) as well as automatic BLAST searches for all probe/primer pairs. We then demonstrated the usefulness of the program by designing a novel lateral flow biosensor for Streptococcus pyogenes that does not rely on amplification methods such as the polymerase chain reaction (PCR) or NASBA to obtain low limits of detection, but instead uses multiple reporter and capture probes per target sequence and an instantaneous amplification via dye-encapsulating liposomes. These assays will decrease the detection time to just a 20 min hybridization reaction and avoid costly enzymatic gene amplification reactions. The lateral flow assay was developed quantifying the 16S rRNA from S. pyogenes by designing reporter and capture probes that specifically hybridize with the RNA and form a sandwich. DNA reporter probes were tagged with dye-encapsulating liposomes, biotinylated DNA oligonucleotides were used as capture probes. From the initial number of capture and reporter probes chosen, a combination of two capture and three reporter probes were found to provide optimal signal generation and significant enhancement over single capture/reporter probe combinations. The selectivity of the biosensor was proven by analyzing organisms closely related to S. pyogenes, such as other Streptococcus and Enterococcus species. All probes had been selected by the software program within minutes and no iterative optimization and re-design of the oligonucleotides was required which enabled a very rapid biosensor prototyping. While the sensitivity obtained with the biosensor was only 135 ng, future experiments will decrease this significantly by the addition of more reporter and capture probes for either the same rRNA or a different nucleic acid target molecule. This will lead to the possibility of detecting S. pyogenes with a rugged assay that does not require a cell culturing or gene amplification step and will therefore enable rapid, specific and sensitive onsite testing.

Measurements of neutron distribution in neutrons-gamma-rays mixed field using imaging plate for neutron capture therapy.

PubMed

Tanaka, Kenichi; Endo, Satoru; Hoshi, Masaharu

2010-01-01

The imaging plate (IP) technique is tried to be used as a handy method to measure the spatial neutron distribution via the (157)Gd(n,gamma)(158)Gd reaction for neutron capture therapy (NCT). For this purpose, IP is set in a water phantom and irradiated in a mixed field of neutrons and gamma-rays. The Hiroshima University Radiobiological Research Accelerator is utilized for this experiment. The neutrons are moderated with 20-cm-thick D(2)O to obtain suitable neutron field for NCT. The signal for IP doped with Gd as a neutron-response enhancer is subtracted with its contribution by gamma-rays, which was estimated using IP without Gd. The gamma-ray response of Gd-doped IP to non-Gd IP is set at 1.34, the value measured for (60)Co gamma-rays, in estimating the gamma-ray contribution to Gd-doped IP signal. Then measured distribution of the (157)Gd(n,gamma)(158)Gd reaction rate agrees within 10% with the calculated value based on the method that has already been validated for its reproducibility of Au activation. However, the evaluated distribution of the (157)Gd(n,gamma)(158)Gd reaction rate is so sensitive to gamma-ray energy, e.g. the discrepancy of the (157)Gd(n,gamma)(158)Gd reaction rate between measurement and calculation becomes 30% for the photon energy change from 33keV to 1.253MeV.

Adapting Cognitive Task Analysis to Investigate Clinical Decision Making and Medication Safety Incidents.

PubMed

Russ, Alissa L; Militello, Laura G; Glassman, Peter A; Arthur, Karen J; Zillich, Alan J; Weiner, Michael

2017-05-03

Cognitive task analysis (CTA) can yield valuable insights into healthcare professionals' cognition and inform system design to promote safe, quality care. Our objective was to adapt CTA-the critical decision method, specifically-to investigate patient safety incidents, overcome barriers to implementing this method, and facilitate more widespread use of cognitive task analysis in healthcare. We adapted CTA to facilitate recruitment of healthcare professionals and developed a data collection tool to capture incidents as they occurred. We also leveraged the electronic health record (EHR) to expand data capture and used EHR-stimulated recall to aid reconstruction of safety incidents. We investigated 3 categories of medication-related incidents: adverse drug reactions, drug-drug interactions, and drug-disease interactions. Healthcare professionals submitted incidents, and a subset of incidents was selected for CTA. We analyzed several outcomes to characterize incident capture and completed CTA interviews. We captured 101 incidents. Eighty incidents (79%) met eligibility criteria. We completed 60 CTA interviews, 20 for each incident category. Capturing incidents before interviews allowed us to shorten the interview duration and reduced reliance on healthcare professionals' recall. Incorporating the EHR into CTA enriched data collection. The adapted CTA technique was successful in capturing specific categories of safety incidents. Our approach may be especially useful for investigating safety incidents that healthcare professionals "fix and forget." Our innovations to CTA are expected to expand the application of this method in healthcare and inform a wide range of studies on clinical decision making and patient safety.

Electron capture in collisions of Si3+ ions with atomic hydrogen from low to intermediate energies

NASA Astrophysics Data System (ADS)

Liu, C. H.; Liu, L.; Wang, J. G.

2014-07-01

The electron capture process for the Si3+(3s) + H(1s) collisions is investigated by the quantum-mechanical molecular orbital close-coupling (MOCC) method and by the two-center atomic orbital close-coupling (AOCC) method in the energy range of 10-5-10 keV/u and 0.8-200 keV/u, respectively. Total and state-selective cross sections are presented and compared with the available theoretical and experimental results. The present MOCC and AOCC results agree well with the experimental measurements, but show some discrepancy with the calculations of Wang et al. [Phys. Rev. A 74, 052709 (2006), 10.1103/PhysRevA.74.052709] at E > 40 eV/u because of the inclusion of rotational couplings, which play important roles in the electron capture process. At lower energies, the present results are about three to five times smaller than those of Wang et al. due to the difference in the molecular data at large internuclear distances. The energy behaviors of the electron capture cross sections are discussed on the basis of identified reaction mechanisms.

Highly simplified lateral flow-based nucleic acid sample preparation and passive fluid flow control

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

Cary, Robert E.

2015-12-08

Highly simplified lateral flow chromatographic nucleic acid sample preparation methods, devices, and integrated systems are provided for the efficient concentration of trace samples and the removal of nucleic acid amplification inhibitors. Methods for capturing and reducing inhibitors of nucleic acid amplification reactions, such as humic acid, using polyvinylpyrrolidone treated elements of the lateral flow device are also provided. Further provided are passive fluid control methods and systems for use in lateral flow assays.

Highly simplified lateral flow-based nucleic acid sample preparation and passive fluid flow control

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

Cary, Robert B.

Highly simplified lateral flow chromatographic nucleic acid sample preparation methods, devices, and integrated systems are provided for the efficient concentration of trace samples and the removal of nucleic acid amplification inhibitors. Methods for capturing and reducing inhibitors of nucleic acid amplification reactions, such as humic acid, using polyvinylpyrrolidone treated elements of the lateral flow device are also provided. Further provided are passive fluid control methods and systems for use in lateral flow assays.

Microscopic study of heavy-ion reactions with n-rich nuclei: dynamic excitation energy and capture

NASA Astrophysics Data System (ADS)

Oberacker, Volker; Umar, A. S.

2010-11-01

Heavy-ion reactions at RIB facilities allow us to form new exotic neutron-rich nuclei. These experiments present numerous challenges for a microscopic theoretical description. We study reactions between neutron-rich ^132Sn nuclei and ^96Zr within a dynamic microscopic theory, and we compare the properties to those of the stable system ^124Sn+^96Zr. The calculations are carried out on a 3-D lattice using the density-constrained Time-Dependent Hartree-Fock (DC-TDHF) method [1- 3]. In particular, we calculate the dynamic excitation energy E^*(t) and the quadrupole moment of the dinuclear system Q20(t) during the initial stages of the collision. Regarding the heavy-ion interaction potential V(R), we find that the fusion barrier height and width increase dramatically with increasing beam energy. The fusion barriers of the neutron-rich system ^132Sn+^96Zr are systematically 1-2 MeV higher than those of the stable system. Large differences (9 MeV) are found in the interaction barriers of the two systems. Capture cross sections are analyzed in terms of dynamic effects and a comparison with recently measured capture-fission data is given. [1] Umar and Oberacker, PRC 76, 014614 (2007). [2] Umar, Oberacker, Maruhn, and Reinhard, PRC 80, 041601(R) (2009). [3] Umar, Maruhn, Itagaki, and Oberacker, PRL 104, 212503 (2010).

Hybrid stochastic simulations of intracellular reaction-diffusion systems.

PubMed

Kalantzis, Georgios

2009-06-01

With the observation that stochasticity is important in biological systems, chemical kinetics have begun to receive wider interest. While the use of Monte Carlo discrete event simulations most accurately capture the variability of molecular species, they become computationally costly for complex reaction-diffusion systems with large populations of molecules. On the other hand, continuous time models are computationally efficient but they fail to capture any variability in the molecular species. In this study a hybrid stochastic approach is introduced for simulating reaction-diffusion systems. We developed an adaptive partitioning strategy in which processes with high frequency are simulated with deterministic rate-based equations, and those with low frequency using the exact stochastic algorithm of Gillespie. Therefore the stochastic behavior of cellular pathways is preserved while being able to apply it to large populations of molecules. We describe our method and demonstrate its accuracy and efficiency compared with the Gillespie algorithm for two different systems. First, a model of intracellular viral kinetics with two steady states and second, a compartmental model of the postsynaptic spine head for studying the dynamics of Ca+2 and NMDA receptors.

Radiative neutron capture cross section from 236U

NASA Astrophysics Data System (ADS)

Baramsai, B.; Jandel, M.; Bredeweg, T. A.; Bond, E. M.; Roman, A. R.; Rusev, G.; Walker, C. L.; Couture, A.; Mosby, S.; O'Donnell, J. M.; Ullmann, J. L.; Kawano, T.

2017-08-01

The 236U(n ,γ ) reaction cross section has been measured for the incident neutron energy range from 10 eV to 800 keV by using the Detector for Advanced Neutron Capture Experiments (DANCE) γ -ray calorimeter at the Los Alamos Neutron Science Center. The cross section was determined with the ratio method, which is a technique that uses the 235U(n ,f ) reaction as a reference. The results of the experiment are reported in the resolved and unresolved resonance energy regions. Individual neutron resonance parameters were obtained below 1 keV incident energy by using the R -matrix code sammy. The cross section in the unresolved resonance region is determined with improved experimental uncertainty. It agrees with both ENDF/B-VII.1 and JEFF-3.2 nuclear data libraries. The results above 10 keV agree better with the JEFF-3.2 library.

Compact fission counter for DANCE

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

Wu, C Y; Chyzh, A; Kwan, E

2010-11-06

The Detector for Advanced Neutron Capture Experiments (DANCE) consists of 160 BF{sub 2} crystals with equal solid-angle coverage. DANCE is a 4{pi} {gamma}-ray calorimeter and designed to study the neutron-capture reactions on small quantities of radioactive and rare stable nuclei. These reactions are important for the radiochemistry applications and modeling the element production in stars. The recognition of capture event is made by the summed {gamma}-ray energy which is equivalent of the reaction Q-value and unique for a given capture reaction. For a selective group of actinides, where the neutron-induced fission reaction competes favorably with the neutron capture reaction, additionalmore » signature is needed to distinguish between fission and capture {gamma} rays for the DANCE measurement. This can be accomplished by introducing a detector system to tag fission fragments and thus establish a unique signature for the fission event. Once this system is implemented, one has the opportunity to study not only the capture but also fission reactions. A parallel-plate avalanche counter (PPAC) has many advantages for the detection of heavy charged particles such as fission fragments. These include fast timing, resistance to radiation damage, and tolerance of high counting rate. A PPAC also can be tuned to be insensitive to {alpha} particles, which is important for experiments with {alpha}-emitting actinides. Therefore, a PPAC is an ideal detector for experiments requiring a fast and clean trigger for fission. A PPAC with an ingenious design was fabricated in 2006 by integrating amplifiers into the target assembly. However, this counter was proved to be unsuitable for this application because of issues related to the stability of amplifiers and the ability to separate fission fragments from {alpha}'s. Therefore, a new design is needed. A LLNL proposal to develop a new PPAC for DANCE was funded by NA22 in FY09. The design goal is to minimize the mass for the proposed counter and still be able to maintain a stable operation under extreme radioactivity and the ability to separate fission fragments from {alpha}'s. In the following sections, the description is given for the design and performance of this new compact PPAC, for studying the neutron-induced reactions on actinides using DANCE at LANL.« less

Precision measurement of the 238 Pu ( n , γ ) cross section

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

Chyzh, A.; Wu, C. Y.; Kwan, E.

2013-10-14

Here, the neutron-capture cross section for 238Pu was measured by using the detector for advanced neutron-capture experiments (DANCE) array, which is a highly segmented and highly efficient 4π γ-ray calorimeter. The neutron-capture events were recognized by the total γ-ray energy deposited in DANCE, which is equal to the reaction Q value plus the incident neutron energy. The absolute neutron-capture cross section was derived as a function of incident neutron energy from thermal to about 30 keV. The measured cross section for incident neutron energy below 18 eV was performed for the first time by using the direct method and doesmore » not support the most recently adopted changes in endf/b-vii.1 where the neutron-capture cross section was lowered by as much as a factor of ~3 in the neighborhood of 0.3 eV from those evaluated in ENDF/B-VII.0.« less

DNA capture elements for rapid detection and identification of biological agents

NASA Astrophysics Data System (ADS)

Kiel, Johnathan L.; Parker, Jill E.; Holwitt, Eric A.; Vivekananda, Jeeva

2004-08-01

DNA capture elements (DCEs; aptamers) are artificial DNA sequences, from a random pool of sequences, selected for their specific binding to potential biological warfare agents. These sequences were selected by an affinity method using filters to which the target agent was attached and the DNA isolated and amplified by polymerase chain reaction (PCR) in an iterative, increasingly stringent, process. Reporter molecules were attached to the finished sequences. To date, we have made DCEs to Bacillus anthracis spores, Shiga toxin, Venezuelan Equine Encephalitis (VEE) virus, and Francisella tularensis. These DCEs have demonstrated specificity and sensitivity equal to or better than antibody.

Microdosimetry: Principles and applications

PubMed Central

Santa Cruz, Gustavo A.

2016-01-01

Aim to present the most important aspects of Microdosimetry, a research field in radiation biophysics. Background microdosimetry is the branch of radiation biophysics that systematically studies the spatial, temporal and spectral aspects of the stochastic nature of the energy deposition processes in microscopic structures. Materials and Methods we briefly review its history, the people, the formalism and the theories and devices that allowed researchers to begin to understand the true nature of radiation action on living matter. Results and Conclusions we outline some of its applications, especially to Boron Neutron Capture Therapy, attempting to explain the biological effectiveness of the boron thermal neutron capture reaction. PMID:26933397

Fusion reaction cross-sections using the Wong model within Skyrme energy density based semiclassical extended Thomas Fermi approach

NASA Astrophysics Data System (ADS)

Kumar, Raj; Sharma, Manoj K.; Gupta, Raj K.

2011-11-01

First, the nuclear proximity potential, obtained by using the semiclassical extended Thomas Fermi (ETF) approach in Skyrme energy density formalism (SEDF), is shown to give more realistic barriers in frozen density approximation, as compared to the sudden approximation. Then, taking advantage of the fact that, in ETF method, different Skyrme forces give different barriers (height, position and curvature), we use the ℓ-summed extended-Wong model of Gupta and collaborators (2009) [1] under frozen densities approximation for calculating the cross-sections, where the Skyrme force is chosen with proper barrier characteristics, not-requiring additional "barrier modification" effects (lowering or narrowing, etc.), for a best fit to data at sub-barrier energies. The method is applied to capture cross-section data from 48Ca + 238U, 244Pu, and 248Cm reactions and to fusion-evaporation cross-sections from 58Ni + 58Ni, 64Ni + 64Ni, and 64Ni + 100Mo reactions, with effects of deformations and orientations of nuclei included, wherever required. Interestingly, whereas the capture cross-sections in Ca-induced reactions could be fitted to any force, such as SIII, SV and GSkI, by allowing a small change of couple of units in deduced ℓ-values at below-barrier energies, the near-barrier data point of 48Ca + 248Cm reaction could not be fitted to ℓ-values deduced for below-barrier energies, calling for a check of data. On the other hand, the fusion-evaporation cross-sections in Ni-induced reactions at sub-barrier energies required different Skyrme forces, representing "modifications of the barrier", for the best fit to data at all incident center-of-mass energies E's, displaying a kind of fusion hindrance at sub-barrier energies. This barrier modification effect is taken into care here by using different Skyrme forces for reactions belonging to different regions of the periodic table. Note that more than one Skyrme force (with identical barrier characteristics) could equally well fit the same data.

CO.sub.2 separation from low-temperature flue gases

DOEpatents

Dilmore, Robert; Allen, Douglas; Soong, Yee; Hedges, Sheila

2010-11-30

Two methods are provide for the separation of carbon dioxide from the flue gases. The first method utilizes a phase-separating moiety dissolved in an aqueous solution of a basic moiety to capture carbon dioxide. The second method utilizes a phase-separating moiety as a suspended solid in an aqueous solution of a basic moiety to capture carbon dioxide. The first method takes advantage of the surface-independent nature of the CO.sub.2 absorption reactions in a homogeneous aqueous system. The second method also provides permanent sequestration of the carbon dioxide. Both methods incorporate the kinetic rate enhancements of amine-based scrubbing while eliminating the need to heat the entire amine solution (80% water) in order to regenerate and release CO.sub.2. Both methods also take advantage of the low-regeneration temperatures of CO.sub.2-bearing mineral systems such as Na.sub.2CO.sub.3/NaHCO.sub.3 and K.sub.2CO.sub.3/KHCO.sub.3.

Alpha-capture reaction rates for 22Ne(alpha,n) via sub-Coulomb alpha-transfer

NASA Astrophysics Data System (ADS)

Jayatissa, Heshani; Rogachev, Grigory; Koshchiy, Yevgen; Goldberg, Vladilen; Bedoor, Shadi; Hooker, Joshua; Hunt, Curtis; Magana, Cordero; Roeder, Brian; Saastamoinen, Antti; Spiridon, Alexandria; Upadhyayula, Sriteja

2016-09-01

Direct measurements of α-capture reactions at energies relevant to astrophysics is extremely difficult to carry out due to the very small reaction cross section. The large uncertainties introduced when extrapolating direct measurements at high energies down to the Gamow energies can be overcome by measuring the Asymptotic Normalization Coefficients (ANC) of the relevant states using (6Li,d) α-transfer reactions at sub-Coulomb energies to reduce the model dependence. The study of the 22Ne(6Li,d) reaction was carried out at the Cyclotron Institute at Texas A&M University. The α-ANC measurements for the near α-threshold resonances of 26Mg will provide constraints for the reaction rate of the 22Ne(α,n) reaction.

Lateral flow nucleic acid biosensor for sensitive detection of microRNAs based on the dual amplification strategy of duplex-specific nuclease and hybridization chain reaction.

PubMed

Ying, Na; Ju, Chuanjing; Sun, Xiuwei; Li, Letian; Chang, Hongbiao; Song, Guangping; Li, Zhongyi; Wan, Jiayu; Dai, Enyong

2017-01-01

MicroRNAs (miRNAs) constitute novel biomarkers for various diseases. Accurate and quantitative analysis of miRNA expression is critical for biomedical research and clinical theranostics. In this study, a method was developed for sensitive and specific detection of miRNAs via dual signal amplification based on duplex specific nuclease (DSN) and hybridization chain reaction (HCR). A reporter probe (RP), comprising recognition sequence (3' end modified with biotin) for a target miRNA of miR-21 and capture sequence (5' end modified with Fam) for HCR product, was designed and synthesized. HCR was initiated by partial sequence of initiator probe (IP), the other part of which can hybridize with capture sequence of RP, and was assembled by hairpin probes modified with biotin (H1-bio and H2-bio). A miR-21 triggered cyclical DSN cleavage of RP, which was immobilized to a streptavidin (SA) coated magnetic bead (MB). The released Fam labeled capture sequence then hybridized with the HCR product to generate a detectable dsDNA. This polymer was then dropped on lateral flow strip and positive result was observed. The proposed method allowed quantitative sequence-specific detection of miR-21 (with a detection limit of 2.1 fM, S/N = 3) in a dynamic range from 100 fM to 100 pM, with an excellent ability to discriminate differences in miRNAs. The method showed acceptable testing recoveries for the determination of miRNAs in serum.

Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications

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

Duan, Yuhua

2012-11-02

Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculatedmore » thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO{sub 2} sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO{sub 2} capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we first introduce our screening methodology and the results on a testing set of solids with known thermodynamic properties to validate our methodology. Then, by applying our computational method to several different kinds of solid systems, we demonstrate that our methodology can predict the useful information to help developing CO{sub 2} capture Technologies.« less

Estimation of ground reaction forces and joint moments on the basis on plantar pressure insoles and wearable sensors for joint angle measurement.

PubMed

Ostaszewski, Michal; Pauk, Jolanta

2018-05-16

Gait analysis is a useful tool medical staff use to support clinical decision making. There is still an urgent need to develop low-cost and unobtrusive mobile health monitoring systems. The goal of this study was twofold. Firstly, a wearable sensor system composed of plantar pressure insoles and wearable sensors for joint angle measurement was developed. Secondly, the accuracy of the system in the measurement of ground reaction forces and joint moments was examined. The measurements included joint angles and plantar pressure distribution. To validate the wearable sensor system and examine the effectiveness of the proposed method for gait analysis, an experimental study on ten volunteer subjects was conducted. The accuracy of measurement of ground reaction forces and joint moments was validated against the results obtained from a reference motion capture system. Ground reaction forces and joint moments measured by the wearable sensor system showed a root mean square error of 1% for min. GRF and 27.3% for knee extension moment. The correlation coefficient was over 0.9, in comparison with the stationary motion capture system. The study suggests that the wearable sensor system could be recommended both for research and clinical applications outside a typical gait laboratory.

Sequence selective capture, release and analysis of DNA using a magnetic microbead-assisted toehold-mediated DNA strand displacement reaction.

PubMed

Khodakov, Dmitriy A; Khodakova, Anastasia S; Linacre, Adrian; Ellis, Amanda V

2014-07-21

This paper reports on the modification of magnetic beads with oligonucleotide capture probes with a specially designed pendant toehold (overhang) aimed specifically to capture double-stranded PCR products. After capture, the PCR products were selectively released from the magnetic beads by means of a toehold-mediated strand displacement reaction using short artificial oligonucleotide triggers and analysed using capillary electrophoresis. The approach was successfully shown on two genes widely used in human DNA genotyping, namely human c-fms (macrophage colony-stimulating factor) proto-oncogene for the CSF-1 receptor (CSF1PO) and amelogenin.

Investigation of the triple-α reaction in a full three-body approach

DOE PAGES

Nguyen, N. B.; Nunes, F. M.; Thompson, I. J.

2013-05-22

Here, the triple-alpha reaction is the key to our understanding about the nucleosynthesis and the observed abundance of 12C in stars. The theory of this process is well established at high temperatures but rather ambiguous in the low temperature regime where measurements are impossible. Develop a new three-body method, which tackles properly the scattering boundary condition for three charged particles and takes into account both the resonant and the non-resonant reaction mechanisms on the same footing, to compute the triple-alpha reaction rate at low temperatures. Methods: We combine the R-matrix expansion, the R-matrix propagation method, and the screening technique inmore » the hyperspherical harmonics basis. Both the 2 + 1 bound state and the 0 + 2 resonant state in 12C are well reproduced. We also study the cluster structure of these states. We calculate the triple-alpha reaction rate for T = 0.01 - 0.1 GK. In conclusion, we obtain the same rate as NACRE for temperatures above 0.07 GK, but the new rate is largely enhanced at lower temperatures (≈ 10 12 at 0.02 GK). The differences are caused by the direct capture contribution to the reaction when three alpha particles can not reach the resonant energies.« less

Recursively constructing analytic expressions for equilibrium distributions of stochastic biochemical reaction networks.

PubMed

Meng, X Flora; Baetica, Ania-Ariadna; Singhal, Vipul; Murray, Richard M

2017-05-01

Noise is often indispensable to key cellular activities, such as gene expression, necessitating the use of stochastic models to capture its dynamics. The chemical master equation (CME) is a commonly used stochastic model of Kolmogorov forward equations that describe how the probability distribution of a chemically reacting system varies with time. Finding analytic solutions to the CME can have benefits, such as expediting simulations of multiscale biochemical reaction networks and aiding the design of distributional responses. However, analytic solutions are rarely known. A recent method of computing analytic stationary solutions relies on gluing simple state spaces together recursively at one or two states. We explore the capabilities of this method and introduce algorithms to derive analytic stationary solutions to the CME. We first formally characterize state spaces that can be constructed by performing single-state gluing of paths, cycles or both sequentially. We then study stochastic biochemical reaction networks that consist of reversible, elementary reactions with two-dimensional state spaces. We also discuss extending the method to infinite state spaces and designing the stationary behaviour of stochastic biochemical reaction networks. Finally, we illustrate the aforementioned ideas using examples that include two interconnected transcriptional components and biochemical reactions with two-dimensional state spaces. © 2017 The Author(s).

Recursively constructing analytic expressions for equilibrium distributions of stochastic biochemical reaction networks

PubMed Central

Baetica, Ania-Ariadna; Singhal, Vipul; Murray, Richard M.

2017-01-01

Noise is often indispensable to key cellular activities, such as gene expression, necessitating the use of stochastic models to capture its dynamics. The chemical master equation (CME) is a commonly used stochastic model of Kolmogorov forward equations that describe how the probability distribution of a chemically reacting system varies with time. Finding analytic solutions to the CME can have benefits, such as expediting simulations of multiscale biochemical reaction networks and aiding the design of distributional responses. However, analytic solutions are rarely known. A recent method of computing analytic stationary solutions relies on gluing simple state spaces together recursively at one or two states. We explore the capabilities of this method and introduce algorithms to derive analytic stationary solutions to the CME. We first formally characterize state spaces that can be constructed by performing single-state gluing of paths, cycles or both sequentially. We then study stochastic biochemical reaction networks that consist of reversible, elementary reactions with two-dimensional state spaces. We also discuss extending the method to infinite state spaces and designing the stationary behaviour of stochastic biochemical reaction networks. Finally, we illustrate the aforementioned ideas using examples that include two interconnected transcriptional components and biochemical reactions with two-dimensional state spaces. PMID:28566513

Solution Hybrid Selection Capture for the Recovery of Functional Full-Length Eukaryotic cDNAs From Complex Environmental Samples

PubMed Central

Bragalini, Claudia; Ribière, Céline; Parisot, Nicolas; Vallon, Laurent; Prudent, Elsa; Peyretaillade, Eric; Girlanda, Mariangela; Peyret, Pierre; Marmeisse, Roland; Luis, Patricia

2014-01-01

Eukaryotic microbial communities play key functional roles in soil biology and potentially represent a rich source of natural products including biocatalysts. Culture-independent molecular methods are powerful tools to isolate functional genes from uncultured microorganisms. However, none of the methods used in environmental genomics allow for a rapid isolation of numerous functional genes from eukaryotic microbial communities. We developed an original adaptation of the solution hybrid selection (SHS) for an efficient recovery of functional complementary DNAs (cDNAs) synthesized from soil-extracted polyadenylated mRNAs. This protocol was tested on the Glycoside Hydrolase 11 gene family encoding endo-xylanases for which we designed 35 explorative 31-mers capture probes. SHS was implemented on four soil eukaryotic cDNA pools. After two successive rounds of capture, >90% of the resulting cDNAs were GH11 sequences, of which 70% (38 among 53 sequenced genes) were full length. Between 1.5 and 25% of the cloned captured sequences were expressed in Saccharomyces cerevisiae. Sequencing of polymerase chain reaction-amplified GH11 gene fragments from the captured sequences highlighted hundreds of phylogenetically diverse sequences that were not yet described, in public databases. This protocol offers the possibility of performing exhaustive exploration of eukaryotic gene families within microbial communities thriving in any type of environment. PMID:25281543

Freeze the Moment: High Speed Capturing of Weakly Bonded Dynamic Nanoparticle Assemblies in Solution by Ag Ion Soldering.

PubMed

Wang, Yueliang; Fang, Lingling; Chen, Gaoli; Song, Lei; Deng, Zhaoxiang

2018-02-01

Despite the versatile forms of colloidal aggregates, these spontaneously formed structures are often hard to find a suitable application in nanotechnology and materials science. A determinate reason is the lack of a suitable method to capture the transiently formed and quickly evolving colloidal structures in solution. To address this challenge, a simple but highly efficient strategy is herein reported to capture the dynamic and metastable colloidal assemblies formed in an aqueous or nonaqueous solution. This process takes advantage of a recently developed Ag ion soldering reaction to realize a rapid fixation of as-formed metastable assemblies. This method works efficiently for both solid (3D) nanoparticle aggregates and weakly bonded fractal nanoparticle chains (1D). In both cases, very high capturing speed and close to 100% efficiency are achieved to fully retain a quickly growing structure. The soldered nanochains further enable a fabrication of discrete, uniform, and functionalizable nanoparticle clusters with enriched linear conformation by mechanical shearing, which would otherwise be difficult to make. The captured products are water dispersible and mechanically robust, favoring an exploration of their properties toward possible applications. The work paves a way to previously untouched aspects of colloidal science and thus would create new chances in nanotechnology. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detector-Response Correction of Two-Dimensional γ -Ray Spectra from Neutron Capture

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

Rusev, G.; Jandel, M.; Arnold, C. W.

2015-05-28

The neutron-capture reaction produces a large variety of γ-ray cascades with different γ-ray multiplicities. A measured spectral distribution of these cascades for each γ-ray multiplicity is of importance to applications and studies of γ-ray statistical properties. The DANCE array, a 4π ball of 160 BaF 2 detectors, is an ideal tool for measurement of neutron-capture γ-rays. The high granularity of DANCE enables measurements of high-multiplicity γ-ray cascades. The measured two-dimensional spectra (γ-ray energy, γ-ray multiplicity) have to be corrected for the DANCE detector response in order to compare them with predictions of the statistical model or use them in applications.more » The detector-response correction problem becomes more difficult for a 4π detection system than for a single detector. A trial and error approach and an iterative decomposition of γ-ray multiplets, have been successfully applied to the detector-response correction. As a result, applications of the decomposition methods are discussed for two-dimensional γ-ray spectra measured at DANCE from γ-ray sources and from the 10B(n, γ) and 113Cd(n, γ) reactions.« less

Atmospheric Chemistry of the Carbon Capture Solvent Monoethanolamine (MEA): A Theoretical Study

NASA Astrophysics Data System (ADS)

da Silva, G.

2012-12-01

The development of amine solvent technology for carbon capture and storage has the potential to create large new sources of amines to the atmosphere. The atmospheric chemistry of amines generally, and carbon capture solvents in particular, is not well understood. We have used quantum chemistry and master equation modelling to investigate the OH radical initiated oxidation of monoethanolamine (NH2CH2CH2OH), or MEA, the archetypal carbon capture solvent. The OH radical can abstract H atoms from either carbon atom in MEA, with negative reaction barriers. Treating these reactions with a two transition state model can reliably reproduce experimental rate constants and their temperature dependence. The products of the MEA + OH reaction, the NH2CHCH2OH and NH2CH2CHOH radicals, undergo subsequent reaction with O2, which has also been studied. In both cases chemically activated reactions that bypass peroxyl radical intermediates dominate, producing 2-iminoethanol + HO2 (from NH2CHCH2OH) or aminoacetaldehyde + HO2 (from NH2CH2CHOH), making the process HOx-neutral. The operation of chemically activated reaction mechanisms has implications for the ozone forming potential of MEA. The products of MEA photo-oxidation are proposed as important species in the formation of both organic and inorganic secondary aerosols, particularly through uptake of the imine 2-iminoethanol and subsequent hydrolysis to ammonia and glycolaldehyde.

Ultrasensitive electrochemical DNA detection based on dual amplification of circular strand-displacement polymerase reaction and hybridization chain reaction.

PubMed

Wang, Cui; Zhou, Hui; Zhu, Wenping; Li, Hongbo; Jiang, Jianhui; Shen, Guoli; Yu, Ruqin

2013-09-15

We developed a novel electrochemical strategy for ultrasensitive DNA detection using a dual amplification strategy based on the circular strand-displacement polymerase reaction (CSDPR) and the hybridization chain reaction (HCR). In this assay, hybridization of hairpin-shaped capture DNA to target DNA resulted in a conformational change of the capture DNA with a concomitant exposure of its stem. The primer was then hybridized with the exposed stem and triggered a polymerization reaction, allowing a cyclic reaction comprising release of target DNA, hybridization of target with remaining capture DNA, polymerization initiated by the primer. Furthermore, the free part of the primer propagated a chain reaction of hybridization events between two DNA hairpin probes with biotin labels, enabling an electrochemical reading using the streptavidin-alkaline phosphatase. The proposed biosensor showed to have very high sensitivity and selectivity with a dynamic response range through 10fM to 1nM, and the detect limit was as low as 8fM. The proposed strategy could have the potential for molecular diagnostics in complex biological systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Photoactivated bioconjugation between ortho-azidophenols and anilines: a facile approach to biomolecular photopatterning.

PubMed

El Muslemany, Kareem M; Twite, Amy A; ElSohly, Adel M; Obermeyer, Allie C; Mathies, Richard A; Francis, Matthew B

2014-09-10

Methods for the surface patterning of small molecules and biomolecules can yield useful platforms for drug screening, synthetic biology applications, diagnostics, and the immobilization of live cells. However, new techniques are needed to achieve the ease, feature sizes, reliability, and patterning speed necessary for widespread adoption. Herein, we report an easily accessible and operationally simple photoinitiated reaction that can achieve patterned bioconjugation in a highly chemoselective manner. The reaction involves the photolysis of 2-azidophenols to generate iminoquinone intermediates that couple rapidly to aniline groups. We demonstrate the broad functional group compatibility of this reaction for the modification of proteins, polymers, oligonucleotides, peptides, and small molecules. As a specific application, the reaction was adapted for the photolithographic patterning of azidophenol DNA on aniline glass substrates. The presence of the DNA was confirmed by the ability of the surface to capture living cells bearing the sequence complement on their cell walls or cytoplasmic membranes. Compared to other light-based DNA patterning methods, this reaction offers higher speed and does not require the use of a photoresist or other blocking material.

Interplay between inhibited transport and reaction in nanoporous materials

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

Ackerman, David Michael

2013-01-01

This work presents a detailed formulation of reaction and diffusion dynamics of molecules in confined pores such as mesoporous silica and zeolites. A general reaction-diffusion model and discrete Monte Carlo simulations are presented. Both transient and steady state behavior is covered. Failure of previous mean-field models for these systems is explained and discussed. A coarse-grained, generalized hydrodynamic model is developed that accurately captures the interplay between reaction and restricted transport in these systems. This method incorporates the non-uniform chemical diffusion behavior present in finite pores with multi-component diffusion. Two methods of calculating these diffusion values are developed: a random walkmore » based approach and a driven diffusion model based on an extension of Fick's law. The effects of reaction, diffusion, pore length, and catalytic site distribution are investigated. In addition to strictly single file motion, quasi-single file diffusion is incorporated into the model to match a range of experimental systems. The connection between these experimental systems and model parameters is made through Langevin dynamics modeling of particles in confined pores.« less

Rates for neutron-capture reactions on tungsten isotopes in iron meteorites. [Abstract only

NASA Technical Reports Server (NTRS)

Masarik, J.; Reedy, R. C.

1994-01-01

High-precision W isotopic analyses by Harper and Jacobsen indicate the W-182/W-183 ratio in the Toluca iron meteorite is shifted by -(3.0 +/- 0.9) x 10(exp -4) relative to a terrestrial standard. Possible causes of this shift are neutron-capture reactions on W during Toluca's approximately 600-Ma exposure to cosmic ray particles or radiogenic growth of W-182 from 9-Ma Hf-182 in the silicate portion of the Earth after removal of W to the Earth's core. Calculations for the rates of neutron-capture reactions on W isotopes were done to study the first possibility. The LAHET Code System (LCS) which consists of the Los Alamos High Energy Transport (LAHET) code and the Monte Carlo N-Particle(MCNP) transport code was used to numerically simulate the irradiation of the Toluca iron meteorite by galactic-cosmic-ray (GCR) particles and to calculate the rates of W(n, gamma) reactions. Toluca was modeled as a 3.9-m-radius sphere with the composition of a typical IA iron meteorite. The incident GCR protons and their interactions were modeled with LAHET, which also handled the interactions of neutrons with energies above 20 MeV. The rates for the capture of neutrons by W-182, W-183, and W-186 were calculated using the detailed library of (n, gamma) cross sections in MCNP. For this study of the possible effect of W(n, gamma) reactions on W isotope systematics, we consider the peak rates. The calculated maximum change in the normalized W-182/W-183 ratio due to neutron-capture reactions cannot account for more than 25% of the mass 182 deficit observed in Toluca W.

Dynamic partitioning for hybrid simulation of the bistable HIV-1 transactivation network.

PubMed

Griffith, Mark; Courtney, Tod; Peccoud, Jean; Sanders, William H

2006-11-15

The stochastic kinetics of a well-mixed chemical system, governed by the chemical Master equation, can be simulated using the exact methods of Gillespie. However, these methods do not scale well as systems become more complex and larger models are built to include reactions with widely varying rates, since the computational burden of simulation increases with the number of reaction events. Continuous models may provide an approximate solution and are computationally less costly, but they fail to capture the stochastic behavior of small populations of macromolecules. In this article we present a hybrid simulation algorithm that dynamically partitions the system into subsets of continuous and discrete reactions, approximates the continuous reactions deterministically as a system of ordinary differential equations (ODE) and uses a Monte Carlo method for generating discrete reaction events according to a time-dependent propensity. Our approach to partitioning is improved such that we dynamically partition the system of reactions, based on a threshold relative to the distribution of propensities in the discrete subset. We have implemented the hybrid algorithm in an extensible framework, utilizing two rigorous ODE solvers to approximate the continuous reactions, and use an example model to illustrate the accuracy and potential speedup of the algorithm when compared with exact stochastic simulation. Software and benchmark models used for this publication can be made available upon request from the authors.

Facile detection of Troponin I using dendritic platinum nanoparticles and capillary tube indicators.

PubMed

Lee, Sanghee; Kwon, Donghoon; Yim, Changyong; Jeon, Sangmin

2015-01-01

A facile method was developed for the detection of Troponin I (TnI) using dendritic platinum nanoparticles and capillary tube indicators. Dendritic platinum nanoparticles were functionalized with TnI antibodies, which were used to capture TnI in human serum. The captured TnI was conjugated to the inner surface of a glass vial, to which a hydrogen peroxide (H2O2) solution was added. After the glass vial was sealed with a screw cap containing a silicon septum, a capillary tube containing a drop of ink was inserted through the septum. The catalytic dissociation of H2O2 to water and oxygen increased the pressure inside the glass vial and raised the ink level in the capillary tube. The ink level increased with the platinum nanoparticle concentration, which is proportional to the TnI concentration. The sensitivity of this assay for TnI in human serum after a 5 min dissociation reaction, detected with the naked eye, was 0.1 ng/mL, which was better than the sensitivity of the conventional colorimetric method using the TMB oxidation reaction under the same experimental conditions. A control experiment using alpha-fetoprotein, interleukin-5, and C-reactive protein revealed that the developed method was highly selective for the detection of TnI.

Capture of farmed Nile crocodiles (Crocodylus niloticus): comparison of physiological parameters after manual capture and after capture with electrical stunning.

PubMed

Pfitzer, S; Ganswindt, A; Fosgate, G T; Botha, P J; Myburgh, J G

2014-09-27

The electric stunner (e-stunner) is commonly used to handle Nile crocodiles (Crocodylus niloticus) on commercial farms in South Africa, but while it seems to improve handling and safety for the keepers, no information regarding physiological reactions to e-stunning is currently available. The aim of this study was therefore to compare various physiological parameters in farmed C niloticus captured either manually (noosing) or by using an e-stunner. A total of 45 crocodiles were captured at a South African farm by either e-stunning or noosing, and blood samples were taken immediately as well as four hours after capture. Parameters monitored were serum corticosterone, lactate, glucose, as well as alanine aminotransferase, alkaline phosphatase, aspartate aminotransferase and creatine kinase. Lactate concentrations were significantly higher in noosed compared with e-stunned animals (P<0.001). No other blood parameter differed significantly between the two methods of capture. In addition, recorded capture time confirmed that noosing takes significantly longer time compared with e-stunning (P<0.001), overall indicating that e-stunning seems to be the better option for restraint of especially large numbers of crocodiles in a commercial setup because it is quicker, safer and did not cause a significant increase in any of the parameters measured. British Veterinary Association.

Colorimetry and SERS dual-mode detection of telomerase activity: combining rapid screening with high sensitivity.

PubMed

Zong, Shenfei; Wang, Zhuyuan; Chen, Hui; Hu, Guohua; Liu, Min; Chen, Peng; Cui, Yiping

2014-01-01

As an important biomarker and therapeutic target, telomerase has attracted considerable attention concerning its detection and monitoring. Here, we present a colorimetry and surface enhanced Raman scattering (SERS) dual-mode telomerase activity detection method, which has several distinctive advantages. First, colorimetric functionality allows rapid preliminary discrimination of telomerase activity by the naked eye. Second, the employment of SERS technique results in greatly improved detection sensitivity. Third, the combination of colorimetry and SERS into one detection system can ensure highly efficacious and sensitive screening of numerous samples. Besides, the avoidance of polymerase chain reaction (PCR) procedures further guarantees fine reliability and simplicity. Generally, the presented method is realized by an "elongate and capture" procedure. To be specific, gold nanoparticles modified with Raman molecules and telomeric repeat complementary oligonucleotide are employed as the colorimetric-SERS bifunctional reporting nanotag, while magnetic nanoparticles functionalized with telomerase substrate oligonucleotide are used as the capturing substrate. Telomerase can synthesize and elongate telomeric repeats onto the capturing substrate. The elongated telomeric repeats subsequently facilitate capturing of the reporting nanotag via hybridization between telomeric repeat and its complementary strand. The captured nanotags can cause a significant difference in the color and SERS intensity of the magnetically separated sediments. Thus both the color and SERS can be used as indicators of the telomerase activity. With fast screening ability and outstanding sensitivity, we anticipate that this method would greatly promote practical application of telomerase-based early-stage cancer diagnosis.

Simulation of Reacting Flow with a Discontinuous Spectral Element Method

NASA Astrophysics Data System (ADS)

Ghiasi, Zia; Mashayek, Farzad; Komperda, Jonathan

2013-11-01

While using high order methods is desirable in order to accurately capture the small scale mixing effects in reacting flows, the challenge is to develop and implement such methods for complex geometries. In this work, a high-order Discontinuous Spectral Element Method (DSEM) code, which solves for the Navier-Stokes equations, has been modified by adding the appropriate components to solve for scalar transport equations in order to simulate the chemical reaction. Dealing with discontinuous solution at element interfaces is a challenge that is met by patching the fluxes at mortars thus making them continuous on interfaces. The patching is performed using the Lax-Fredrichs numerical flux for scalars, whereas a generalized Riemann solver is used for the Navier-Stokes equations. Direct numerical simulation is conducted in a temporally developing mixing layer to validate the method for a single step reaction (F + rO --> [ 1 + r ] P). Next, the method is implemented to simulate a subsonic reacting flow in a slanted cavity combustor with gaseous fuel injectors to demonstrate the capability of the method to handle complex geometries. The results will be used for physical understanding of mixing and reaction in this type of combustors.

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things

PubMed Central

Akan, Ozgur B.

2018-01-01

We consider a microfluidic molecular communication (MC) system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA). However, analytical models are key for the information and communication technology (ICT), as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics. PMID:29415019

Modeling convection-diffusion-reaction systems for microfluidic molecular communications with surface-based receivers in Internet of Bio-Nano Things.

PubMed

Kuscu, Murat; Akan, Ozgur B

2018-01-01

We consider a microfluidic molecular communication (MC) system, where the concentration-encoded molecular messages are transported via fluid flow-induced convection and diffusion, and detected by a surface-based MC receiver with ligand receptors placed at the bottom of the microfluidic channel. The overall system is a convection-diffusion-reaction system that can only be solved by numerical methods, e.g., finite element analysis (FEA). However, analytical models are key for the information and communication technology (ICT), as they enable an optimisation framework to develop advanced communication techniques, such as optimum detection methods and reliable transmission schemes. In this direction, we develop an analytical model to approximate the expected time course of bound receptor concentration, i.e., the received signal used to decode the transmitted messages. The model obviates the need for computationally expensive numerical methods by capturing the nonlinearities caused by laminar flow resulting in parabolic velocity profile, and finite number of ligand receptors leading to receiver saturation. The model also captures the effects of reactive surface depletion layer resulting from the mass transport limitations and moving reaction boundary originated from the passage of finite-duration molecular concentration pulse over the receiver surface. Based on the proposed model, we derive closed form analytical expressions that approximate the received pulse width, pulse delay and pulse amplitude, which can be used to optimize the system from an ICT perspective. We evaluate the accuracy of the proposed model by comparing model-based analytical results to the numerical results obtained by solving the exact system model with COMSOL Multiphysics.

Salience-Based Selection: Attentional Capture by Distractors Less Salient Than the Target

PubMed Central

Goschy, Harriet; Müller, Hermann Joseph

2013-01-01

Current accounts of attentional capture predict the most salient stimulus to be invariably selected first. However, existing salience and visual search models assume noise in the map computation or selection process. Consequently, they predict the first selection to be stochastically dependent on salience, implying that attention could even be captured first by the second most salient (instead of the most salient) stimulus in the field. Yet, capture by less salient distractors has not been reported and salience-based selection accounts claim that the distractor has to be more salient in order to capture attention. We tested this prediction using an empirical and modeling approach of the visual search distractor paradigm. For the empirical part, we manipulated salience of target and distractor parametrically and measured reaction time interference when a distractor was present compared to absent. Reaction time interference was strongly correlated with distractor salience relative to the target. Moreover, even distractors less salient than the target captured attention, as measured by reaction time interference and oculomotor capture. In the modeling part, we simulated first selection in the distractor paradigm using behavioral measures of salience and considering the time course of selection including noise. We were able to replicate the result pattern we obtained in the empirical part. We conclude that each salience value follows a specific selection time distribution and attentional capture occurs when the selection time distributions of target and distractor overlap. Hence, selection is stochastic in nature and attentional capture occurs with a certain probability depending on relative salience. PMID:23382820

A comparison and update of direct kinematic-kinetic models of leg stiffness in human running.

PubMed

Liew, Bernard X W; Morris, Susan; Masters, Ashleigh; Netto, Kevin

2017-11-07

Direct kinematic-kinetic modelling currently represents the "Gold-standard" in leg stiffness quantification during three-dimensional (3D) motion capture experiments. However, the medial-lateral components of ground reaction force and leg length have been neglected in current leg stiffness formulations. It is unknown if accounting for all 3D would alter healthy biologic estimates of leg stiffness, compared to present direct modelling methods. This study compared running leg stiffness derived from a new method (multiplanar method) which includes all three Cartesian axes, against current methods which either only include the vertical axis (line method) or only the plane of progression (uniplanar method). Twenty healthy female runners performed shod overground running at 5.0 m/s. Three-dimensional motion capture and synchronised in-ground force plates were used to track the change in length of the leg vector (hip joint centre to centre of pressure) and resultant projected ground reaction force. Leg stiffness was expressed as dimensionless units, as a percentage of an individual's bodyweight divided by standing leg length (BW/LL). Leg stiffness using the line method was larger than the uniplanar method by 15.6%BW/LL (P < .001), and multiplanar method by 24.2%BW/LL (P < .001). Leg stiffness from the uniplanar method was larger than the multiplanar method by 8.5%BW/LL (6.5 kN/m) (P < .001). The inclusion of medial-lateral components significantly increased leg deformation magnitude, accounting for the reduction in leg stiffness estimate with the multiplanar method. Given that limb movements typically occur in 3D, the new multiplanar method provides the most complete accounting of all force and length components in leg stiffness calculation. Copyright © 2017 Elsevier Ltd. All rights reserved.

Determination of astrophysical 7Be(p, γ)8B reaction rates from the 7Li(d, p)8Li reaction

NASA Astrophysics Data System (ADS)

Du, XianChao; Guo, Bing; Li, ZhiHong; Pang, DanYang; Li, ErTao; Liu, WeiPing

2015-06-01

The 7Be(p, γ)8B reaction plays a central role not only in the evaluation of solar neutrino fluxes but also in the evolution of the first stars. Study of this reaction requires the asymptotic normalization coefficient (ANC) for the virtual decay 8B g.s. → 7Be + p. By using the charge symmetry relation, we obtain this proton ANC with the single neutron ANC of 8Li g.s. →7Li + n, which is determined with the distorted wave Born approximation (DWBA) and adiabatic distorted wave approximation (ADWA) analysis of the 7Li(d, p)8Li angular distribution. The astrophysical S-factors and reaction rates of the direct capture process in the 7Be(p, γ)8B reaction are further deduced at energies of astrophysical relevance. The astrophysical S-factor at zero energy for direct capture, S 17(0), is derived to be (19.9 ± 3.5) eV b in good agreement with the most recent recommended value. The contributions of the 1+ and 3+ resonances to the S-factor and reaction rate are also evaluated. The present result demonstrates that the direct capture dominates the 7Be(p, γ)8B reaction in the whole temperature range. This work provides an independent examination to the current results of the 7Be(p, γ)8B reaction.

On Spurious Numerics in Solving Reactive Equations

NASA Technical Reports Server (NTRS)

Kotov, D. V; Yee, H. C.; Wang, W.; Shu, C.-W.

2013-01-01

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

Post-synthetic halide conversion and selective halogen capture in hybrid perovskites† †Electronic supplementary information (ESI) available. CCDC 1048945–1048947. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01135c

PubMed Central

Solis-Ibarra, D.; Smith, I. C.

2015-01-01

Reaction with halogen vapor allows us to post-synthetically exchange halides in both three- (3D) and two-dimensional (2D) organic–inorganic metal-halide perovskites. Films of 3D Pb–I perovskites cleanly convert to films of Pb–Br or Pb–Cl perovskites upon exposure to Br2 or Cl2 gas, respectively. This gas–solid reaction provides a simple method to produce the high-quality Pb–Br or Pb–Cl perovskite films required for optoelectronic applications. Reactivity with halogens can be extended to the organic layers in 2D metal-halide perovskites. Here, terminal alkene groups placed between the inorganic layers can capture Br2 gas through chemisorption to form dibromoalkanes. This reaction's selectivity for Br2 over I2 allows us to scrub Br2 to obtain high-purity I2 gas streams. We also observe unusual halogen transfer between the inorganic and organic layers within a single perovskite structure. Remarkably, the perovskite's crystallinity is retained during these massive structural rearrangements. PMID:29218171

Resonating group method as applied to the spectroscopy of α-transfer reactions

NASA Astrophysics Data System (ADS)

Subbotin, V. B.; Semjonov, V. M.; Gridnev, K. A.; Hefter, E. F.

1983-10-01

In the conventional approach to α-transfer reactions the finite- and/or zero-range distorted-wave Born approximation is used in liaison with a macroscopic description of the captured α particle in the residual nucleus. Here the specific example of 16O(6Li,d)20Ne reactions at different projectile energies is taken to present a microscopic resonating group method analysis of the α particle in the final nucleus (for the reaction part the simple zero-range distorted-wave Born approximation is employed). In the discussion of suitable nucleon-nucleon interactions, force number one of the effective interactions presented by Volkov is shown to be most appropriate for the system considered. Application of the continuous analog of Newton's method to the evaluation of the resonating group method equations yields an increased accuracy with respect to traditional methods. The resonating group method description induces only minor changes in the structures of the angular distributions, but it does serve its purpose in yielding reliable and consistent spectroscopic information. NUCLEAR STRUCTURE 16O(6Li,d)20Ne; E=20 to 32 MeV; calculated B(E2); reduced widths, dσdΩ extracted α-spectroscopic factors. ZRDWBA with microscope RGM description of residual α particle in 20Ne; application of continuous analog of Newton's method; tested and applied Volkov force No. 1; direct mechanism.

Nuclear astrophysics at DRAGON

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

Hager, U.

2014-05-02

The DRAGON recoil separator is located at the ISAC facility at TRIUMF, Vancouver. It is designed to measure radiative alpha and proton capture reactions of astrophysical importance. Over the last years, the DRAGON collaboration has measured several reactions using both radioactive and high-intensity stable beams. For example, the 160(a, g) cross section was recently measured. The reaction plays a role in steady-state helium burning in massive stars, where it follows the 12C(a, g) reaction. At astrophysically relevant energies, the reaction proceeds exclusively via direct capture, resulting in a low rate. In this measurement, the unique capabilities of DRAGON enabled determinationmore » not only of the total reaction rates, but also of decay branching ratios. In addition, results from other recent measurements will be presented.« less

Synthesis of nano-sized crystalline oxide ion conducting fluorite-type Y 2O 3-doped CeO 2 using perovskite-like BaCe 0.9Y 0.1O 2.95 (BCY) and study of CO 2 capture properties of BCY

NASA Astrophysics Data System (ADS)

Sneha, B. R.; Thangadurai, V.

2007-10-01

Formation of nano-sized Y 2O 3-doped CeO 2 (YCO) was observed in the chemical reaction between proton conducting Y 2O 3-doped BaCeO 3 (BCY) and CO 2 in the temperature range 700-1000 °C, which is generally prepared by wet-chemical methods that include sol-gel, hydrothermal, polymerization, combustion, and precipitation reactions. BCY can capture CO 2 of 0.13 g per ceramic gram at 700 °C, which is comparable to that of the well-known Li 2ZrO 3 (0.15 g per ceramic gram at 600 °C). Powder X-ray diffraction (PXRD), energy dispersive X-ray analysis (EDX), laser particle size analysis (LPSA), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and ac impedance spectroscopy were employed to characterize the reaction product obtained from reaction between BCY and CO 2 and subsequent acid washing. PXRD study reveals presence of fluorite-like CeO 2 ( a=5.410 (1) Å) structure and BaCO 3 in reaction products. TEM investigation of the acid washed product showed the formation of nano-sized material with particle sizes of about 50 nm. The electrical conductivity of acid washed product (YCO) in air was found to be about an order higher than the undoped CeO 2 reported in the literature.

Neutron detection by scintillation of noble-gas excimers

NASA Astrophysics Data System (ADS)

McComb, Jacob Collin

Neutron detection is a technique essential to homeland security, nuclear reactor instrumentation, neutron diffraction science, oil-well logging, particle physics and radiation safety. The current shortage of helium-3, the neutron absorber used in most gas-filled proportional counters, has created a strong incentive to develop alternate methods of neutron detection. Excimer-based neutron detection (END) provides an alternative with many attractive properties. Like proportional counters, END relies on the conversion of a neutron into energetic charged particles, through an exothermic capture reaction with a neutron absorbing nucleus (10B, 6Li, 3He). As charged particles from these reactions lose energy in a surrounding gas, they cause electron excitation and ionization. Whereas most gas-filled detectors collect ionized charge to form a signal, END depends on the formation of diatomic noble-gas excimers (Ar*2, Kr*2,Xe* 2) . Upon decaying, excimers emit far-ultraviolet (FUV) photons, which may be collected by a photomultiplier tube or other photon detector. This phenomenon provides a means of neutron detection with a number of advantages over traditional methods. This thesis investigates excimer scintillation yield from the heavy noble gases following the boron-neutron capture reaction in 10B thin-film targets. Additionally, the thesis examines noble-gas excimer lifetimes with relationship to gas type and gas pressure. Experimental data were collected both at the National Institute of Standards and Technology (NIST) Center for Neutron Research, and on a newly developed neutron beamline at the Maryland University Training Reactor. The components of the experiment were calibrated at NIST and the University of Maryland, using FUV synchrotron radiation, neutron imaging, and foil activation techniques, among others. Computer modeling was employed to simulate charged-particle transport and excimer photon emission within the experimental apparatus. The observed excimer scintillation yields from the 10B( n, alpha)7Li reaction are comparable to the yields of many liquid and solid neutron scintillators. Additionally, the observed slow triplet-state decay of neutron-capture-induced excimers may be used in a practical detector to discriminate neutron interactions from gamma-ray interactions. The results of these measurements and simulations will contribute to the development and optimization of a deployable neutron detector based on noble-gas excimer scintillation.

A microdosimetric study of {sup 10}B(n,{alpha}){sup 7}Li and {sup 157}Gd(n,{gamma}) reactions for neutron capture therapy

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

Wang, C.K.C.; Sutton, M.; Evans, T.M.

1999-01-01

This paper presents the microdosimetric analysis for the most interesting cell survival experiment recently performed at the Brookhaven National Laboratory (BNL). In this experiment, the cells were first treated with a gadolinium (Gd) labeled tumor-seeking boronated porphyrin (Gd-BOPP) or with BOPP alone, and then irradiated with thermal neutrons. The resulting cell-survival curves indicate that the {sup 157}Gd(n,{gamma}) reactions are very effective in cell killing. The death of a cell treated with Gd-BOPP was attributed to either the {sup 10}B(n,{alpha}){sup 7}Li reactions or the {sup 157}Gd(n,{gamma}) reactions (or both). However, the quantitative relationship between the two types of reaction and themore » cell-survival fraction was not clear. This paper presents the microdosimetric analysis for the BNL experiment based on the measured experimental parameters, and the results clearly suggest a quantitative relationship between the two types of reaction and the cell survival fraction. The results also suggest new research in gadolinium neutron capture therapy (GdNCT) which may lead to a more practical modality than the boron neutron capture therapy (BNCT) for treating cancers.« less

Developments in capture-γ libraries for nonproliferation applications

NASA Astrophysics Data System (ADS)

Hurst, A. M.; Firestone, R. B.; Sleaford, B. W.; Bleuel, D. L.; Basunia, M. S.; Bečvář, F.; Belgya, T.; Bernstein, L. A.; Carroll, J. J.; Detwiler, B.; Escher, J. E.; Genreith, C.; Goldblum, B. L.; Krtička, M.; Lerch, A. G.; Matters, D. A.; McClory, J. W.; McHale, S. R.; Révay, Zs.; Szentmiklosi, L.; Turkoglu, D.; Ureche, A.; Vujic, J.

2017-09-01

The neutron-capture reaction is fundamental for identifying and analyzing the γ-ray spectrum from an unknown assembly because it provides unambiguous information on the neutron-absorbing isotopes. Nondestructive-assay applications may exploit this phenomenon passively, for example, in the presence of spontaneous-fission neutrons, or actively where an external neutron source is used as a probe. There are known gaps in the Evaluated Nuclear Data File libraries corresponding to neutron-capture γ-ray data that otherwise limit transport-modeling applications. In this work, we describe how new thermal neutron-capture data are being used to improve information in the neutron-data libraries for isotopes relevant to nonproliferation applications. We address this problem by providing new experimentally-deduced partial and total neutron-capture reaction cross sections and then evaluate these data by comparison with statistical-model calculations.

Pre-Combustion Carbon Dioxide Capture by a New Dual Phase Ceramic-Carbonate Membrane Reactor

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

Lin, Jerry Y. S.

2015-01-31

This report documents synthesis, characterization and carbon dioxide permeation and separation properties of a new group of ceramic-carbonate dual-phase membranes and results of a laboratory study on their application for water gas shift reaction with carbon dioxide separation. A series of ceramic-carbonate dual phase membranes with various oxygen ionic or mixed ionic and electronic conducting metal oxide materials in disk, tube, symmetric, and asymmetric geometric configurations was developed. These membranes, with the thickness of 10 μm to 1.5 mm, show CO 2 permeance in the range of 0.5-5×10 -7 mol·m -2·s -1·Pa -1 in 500-900°C and measured CO 2/N 2more » selectivity of up to 3000. CO 2 permeation mechanism and factors that affect CO 2 permeation through the dual-phase membranes have been identified. A reliable CO 2 permeation model was developed. A robust method was established for the optimization of the microstructures of ceramic-carbonate membranes. The ceramic-carbonate membranes exhibit high stability for high temperature CO 2 separations and water gas shift reaction. Water gas shift reaction in the dual-phase membrane reactors was studied by both modeling and experiments. It is found that high temperature syngas water gas shift reaction in tubular ceramic-carbonate dual phase membrane reactor is feasible even without catalyst. The membrane reactor exhibits good CO 2 permeation flux, high thermal and chemical stability and high thermal shock resistance. Reaction and separation conditions in the membrane reactor to produce hydrogen of 93% purity and CO 2 stream of >95% purity, with 90% CO 2 capture have been identified. Integration of the ceramic-carbonate dual-phase membrane reactor with IGCC process for carbon dioxide capture was analyzed. A methodology was developed to identify optimum operation conditions for a membrane tube of given dimensions that would treat coal syngas with targeted performance. The calculation results show that the dual-phase membrane reactor could improve IGCC process efficiency but the cost of the membrane reactor with membranes having current CO 2 permeance is high. Further research should be directed towards improving the performance of the membranes and developing cost-effective, scalable methods for fabrication of dual-phase membranes and membrane reactors.« less

Neutron-capture cross-section measurements of Xe136 between 0.4 and 14.8 MeV

NASA Astrophysics Data System (ADS)

Bhike, Megha; Tornow, W.

2014-03-01

Fast-neutron-capture cross-section data on Xe136 have been measured with the activation method between 0.4 and 14.8 MeV. The cross section was found to be of the order of 1 mb at the eleven energies investigated. This result is important to interpret potential neutron-induced backgrounds in the enriched xenon observatory and KamLAND-Zen neutrinoless double-β decay searches that use xenon as both source and detector. A high-pressure sphere filled with Xe136 was irradiated with monoenergetic neutrons produced by the reactions 3H(p ,n)3He, 2H(d ,n)3He, and 3H(d ,n)4He. Indium and gold monitor foils were irradiated simultaneously with the Xe136 to determine the incident neutron flux. The activities of the reaction products were measured with high-resolution γ-ray spectroscopy. The present results are compared to predictions from ENDF/B-VII.1 and TENDL-2012.

Investigation of complete and incomplete fusion in the 7Li+124Sn reaction near Coulomb barrier energies

NASA Astrophysics Data System (ADS)

Parkar, V. V.; Sharma, Sushil K.; Palit, R.; Upadhyaya, S.; Shrivastava, A.; Pandit, S. K.; Mahata, K.; Jha, V.; Santra, S.; Ramachandran, K.; Nag, T. N.; Rath, P. K.; Kanagalekar, Bhushan; Trivedi, T.

2018-01-01

The complete and incomplete fusion cross sections for the 7Li+124Sn reaction were measured using online and offline characteristic γ -ray detection techniques. The complete fusion (CF) cross sections at energies above the Coulomb barrier were found to be suppressed by ˜26 % compared to the coupled channel calculations. This suppression observed in complete fusion cross sections is found to be commensurate with the measured total incomplete fusion (ICF) cross sections. There is a distinct feature observed in the ICF cross sections, i.e., t capture is found to be dominant compared to α capture at all the measured energies. A simultaneous explanation of complete, incomplete, and total fusion (TF) data was also obtained from the calculations based on the continuum discretized coupled channel method with short range imaginary potentials. The cross section ratios of CF/TF and ICF/TF obtained from the data as well as the calculations showed the dominance of ICF at below-barrier energies and CF at above-barrier energies.

Computer program for prediction of capture maneuver probability for an on-off reaction controlled upper stage

NASA Technical Reports Server (NTRS)

Knauber, R. N.

1982-01-01

A FORTRAN coded computer program which computes the capture transient of a launch vehicle upper stage at the ignition and/or separation event is presented. It is for a single degree-of-freedom on-off reaction jet attitude control system. The Monte Carlo method is used to determine the statistical value of key parameters at the outcome of the event. Aerodynamic and booster induced disturbances, vehicle and control system characteristics, and initial conditions are treated as random variables. By appropriate selection of input data pitch, yaw and roll axes can be analyzed. Transient response of a single deterministic case can be computed. The program is currently set up on a CDC CYBER 175 computer system but is compatible with ANSI FORTRAN computer language. This routine has been used over the past fifteen (15) years for the SCOUT Launch Vehicle and has been run on RECOMP III, IBM 7090, IBM 360/370, CDC6600 and CDC CYBER 175 computers with little modification.

Non-linear corrections to the time-covariance function derived from a multi-state chemical master equation.

PubMed

Scott, M

2012-08-01

The time-covariance function captures the dynamics of biochemical fluctuations and contains important information about the underlying kinetic rate parameters. Intrinsic fluctuations in biochemical reaction networks are typically modelled using a master equation formalism. In general, the equation cannot be solved exactly and approximation methods are required. For small fluctuations close to equilibrium, a linearisation of the dynamics provides a very good description of the relaxation of the time-covariance function. As the number of molecules in the system decrease, deviations from the linear theory appear. Carrying out a systematic perturbation expansion of the master equation to capture these effects results in formidable algebra; however, symbolic mathematics packages considerably expedite the computation. The authors demonstrate that non-linear effects can reveal features of the underlying dynamics, such as reaction stoichiometry, not available in linearised theory. Furthermore, in models that exhibit noise-induced oscillations, non-linear corrections result in a shift in the base frequency along with the appearance of a secondary harmonic.

Highly sensitive electrochemical detection of human telomerase activity based on bio-barcode method.

PubMed

Li, Ying; Liu, Bangwei; Li, Xia; Wei, Qingli

2010-07-15

In the present study, an electrochemical method for highly sensitive detection of human telomerase activity was developed based on bio-barcode amplification assay. Telomerase was extracted from HeLa cells, then the extract was mixed with telomerase substrate (TS) primer to perform extension reaction. The extension product was hybridized with the capture DNA immobilized on the Au electrode and then reacted with the signal DNA on Au nanoparticles to form a sandwich hybridization mode. Electrochemical signals were generated by chronocoulometric interrogation of [Ru(NH(3))(6)](3+) that quantitatively binds to the DNA on Au nanoparticles via electrostatic interaction. This method can detect the telomerase activity from as little as 10 cultured cancer cells without the polymerase chain reaction (PCR) amplification of telomerase extension product. Copyright (c) 2010 Elsevier B.V. All rights reserved.

Timescale analysis of rule-based biochemical reaction networks

PubMed Central

Klinke, David J.; Finley, Stacey D.

2012-01-01

The flow of information within a cell is governed by a series of protein-protein interactions that can be described as a reaction network. Mathematical models of biochemical reaction networks can be constructed by repetitively applying specific rules that define how reactants interact and what new species are formed upon reaction. To aid in understanding the underlying biochemistry, timescale analysis is one method developed to prune the size of the reaction network. In this work, we extend the methods associated with timescale analysis to reaction rules instead of the species contained within the network. To illustrate this approach, we applied timescale analysis to a simple receptor-ligand binding model and a rule-based model of Interleukin-12 (IL-12) signaling in näive CD4+ T cells. The IL-12 signaling pathway includes multiple protein-protein interactions that collectively transmit information; however, the level of mechanistic detail sufficient to capture the observed dynamics has not been justified based upon the available data. The analysis correctly predicted that reactions associated with JAK2 and TYK2 binding to their corresponding receptor exist at a pseudo-equilibrium. In contrast, reactions associated with ligand binding and receptor turnover regulate cellular response to IL-12. An empirical Bayesian approach was used to estimate the uncertainty in the timescales. This approach complements existing rank- and flux-based methods that can be used to interrogate complex reaction networks. Ultimately, timescale analysis of rule-based models is a computational tool that can be used to reveal the biochemical steps that regulate signaling dynamics. PMID:21954150

γ rays from muon capture in I, Au, and Bi

NASA Astrophysics Data System (ADS)

Measday, David F.; Stocki, Trevor J.; Tam, Heywood

2007-04-01

A significant improvement has been made in the identification of γ rays from muon capture in I, Au, and Bi, all monisotopic elements. The (μ-,νn) reaction was clearly observed in all nuclei, but the levels excited do not correlate well with the spectroscopic factors from the (d,He3) reaction. Some (μ-,ν2n), (μ-,ν3n), (μ-,ν4n), (μ-,ν5n) and other reactions have been observed at a lower yield. The muonic x-ray cascades have also been studied in detail.

Zn-71 levels populated in neutron-capture-gamma reactions

NASA Astrophysics Data System (ADS)

Huchison, Andrew; Harker, Jessica; Walters, William B.; Waite, Mark; Paul, Rick

2015-04-01

The level structure of 71 Zn was studied via the capture-gamma reaction on a highly-enriched 70 Zn target at the NIST Center for Neutron Research NG-7 beam line. The neutron separation energy was determined to be 5832.5(5) keV. Low-spin levels populated in this reaction will be presented, compared with data from other measurements, and discussed. This material is based on work supported by the US Department of Energy (DOE), Office of Science, Office of Nuclear Physics, under Grant No. DE-FG02-94ER40834.

Application of immobilized synthetic anti-lipopolysaccharide peptides for the isolation and detection of bacteria.

PubMed

Sandetskaya, N; Engelmann, B; Brandenburg, K; Kuhlmeier, D

2015-08-01

The molecular detection of microorganisms in liquid samples generally requires their enrichment or isolation. The aim of our study was to evaluate the capture and pre-concentration of bacteria by immobilized particular cationic antimicrobial peptides, called synthetic anti-lipopolysaccharide peptides (SALP). For the proof-of-concept and screening of different SALP, the peptides were covalently immobilized on glass slides, and the binding of bacteria was confirmed by microscopic examination of the slides or their scanning, in case of fluorescent bacterial cells. The most efficient SALP was further tethered to magnetic beads. SALP beads were used for the magnetic capture of Escherichia coli in liquid samples. The efficiency of this strategy was evaluated using polymerase chain reaction (PCR). Covalently immobilized SALP were capable of capturing bacteria in liquid samples. However, PCR was hampered by the unspecific binding of DNA to the positively charged peptide. We developed a method for DNA recovery by the enzymatic digestion of the peptide, which allowed for a successful PCR, though the method had its own adverse impact on the detection and, thus, did not allow for the reliable quantitative analysis of the pathogen enrichment. Immobilized SALP can be used as capture molecules for bacteria in liquid samples and can be recommended for the design of the assays or decontamination of the fluids. For the accurate subsequent detection of bacteria, DNA-independent methods should be used.

Numerical calculation of charge exchange cross sections for plasma diagnostics

NASA Astrophysics Data System (ADS)

Mendez, Luis

2016-09-01

The diagnostics of impurity density and temperature in the plasma core in tokamak plasmas is carried out by applying the charge exchange recombination spectroscopy (CXRS) technique, where a fast beam of H atoms collides with the plasma particles leading to electron capture reactions with the impurity ions. The diagnostics is based on the emission of the excited ions formed in the electron capture. The application of the CXRS requires the knowledge of accurate state-selective cross sections, which in general are not accessible experimentally, and the calculation of cross sections for the high n capture levels, required for the diagnostics in the intermediate energy domain of the probe beam, is particularly difficult. In this work, we present a lattice numerical method to solve the time dependent Schrödinger equation. The method is based on the GridTDSE package, it is applicable in the wide energy range 1 - 500 keV/u and can be used to assess the accuracy of previous calculations. The application of the method will be illustrated with calculations for collisions of multiply charged ions with H. Work partially supported by project ENE2014-52432-R (Secretaria de Estado de I+D+i, Spain).

In Vivo Boron Uptake Determination for Boron Neutron Capture Synovectomy

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

Binello, Emanuela; Shortkroff, Sonya; Yanch, Jacquelyn C.

1999-06-06

Boron neutron capture synovectomy (BNCS) has been proposed as a new application of the boron neutron capture reaction for the treatment of rheumatoid arthritis. In BNCS, a boron compound is injected into the joint space, where it is taken up by the synovium. The joint is then irradiated with neutrons of a desired energy range, inducing the boron neutron capture reaction in boron-loaded cells. Boron uptake by the synovium is an important parameter in the assessment of the potential of BNCS and in the determination of whether to proceed to animal irradiations for the testing of therapeutic efficacy. We presentmore » results from an investigation of boron uptake in vivo by the synovium.« less

Evaluation of deconvolution modelling applied to numerical combustion

NASA Astrophysics Data System (ADS)

Mehl, Cédric; Idier, Jérôme; Fiorina, Benoît

2018-01-01

A possible modelling approach in the large eddy simulation (LES) of reactive flows is to deconvolve resolved scalars. Indeed, by inverting the LES filter, scalars such as mass fractions are reconstructed. This information can be used to close budget terms of filtered species balance equations, such as the filtered reaction rate. Being ill-posed in the mathematical sense, the problem is very sensitive to any numerical perturbation. The objective of the present study is to assess the ability of this kind of methodology to capture the chemical structure of premixed flames. For that purpose, three deconvolution methods are tested on a one-dimensional filtered laminar premixed flame configuration: the approximate deconvolution method based on Van Cittert iterative deconvolution, a Taylor decomposition-based method, and the regularised deconvolution method based on the minimisation of a quadratic criterion. These methods are then extended to the reconstruction of subgrid scale profiles. Two methodologies are proposed: the first one relies on subgrid scale interpolation of deconvolved profiles and the second uses parametric functions to describe small scales. Conducted tests analyse the ability of the method to capture the chemical filtered flame structure and front propagation speed. Results show that the deconvolution model should include information about small scales in order to regularise the filter inversion. a priori and a posteriori tests showed that the filtered flame propagation speed and structure cannot be captured if the filter size is too large.

Methodology for modeling the mechanical interaction between a reaction wheel and a flexible structure

NASA Astrophysics Data System (ADS)

Elias, Laila M.; Dekens, Frank G.; Basdogan, Ipek; Sievers, Lisa A.; Neville, Timothy

2003-02-01

This paper presents a modeling methodology used to predict the performance of a flexible structure, such as a space telescope, in the presence of an on-board vibrational disturbance source, such as a reaction wheel assembly (RWA). Both decoupled and coupled analysis methods are presented. The decoupled method relies on blocked RWA disturbances, measured with the RWA hardmounted to a rigid surface. The coupled method corrects the blocked RWA disturbance boundary conditions using 'force filters' which depend on estimates of the interface accelerances of the RWA and spacecraft. Both methods were validated on the Micro-Precision Interferometer testbed at the Jet Propulsion Laboratory. Experimental results are encouraging, indicating that both methods provide sufficient accuracy compared to measured values; however, the coupled method provides the best results when the gyroscopic nature of the spinning RWA is captured in the RWA accelerance model. Additionally, the RWA disturbance cross spectral density terms are found to be influential.

Chelating capture and magnetic removal of non-magnetic heavy metal substances from soil

PubMed Central

Fan, Liren; Song, Jiqing; Bai, Wenbo; Wang, Shengping; Zeng, Ming; Li, Xiaoming; Zhou, Yang; Li, Haifeng; Lu, Haiwei

2016-01-01

A soil remediation method based on magnetic beneficiation is reported. A new magnetic solid chelator powder, FS@IDA (core-shell Fe3O4@SiO2 nanoparticles coated with iminodiacetic acid chelators), was used as a reactive magnetic carrier to selectively capture non-magnetic heavy metals in soil by chelation and removal by magnetic separation. FS@IDA was prepared via inorganic-organic and organic synthesis reactions that generated chelating groups on the surface of magnetic, multi-core, core-shell Fe3O4@SiO2 (FS) nanoparticles. These reactions used a silane coupling agent and sodium chloroacetate. The results show that FS@IDA could chelate the heavy metal component of Cd, Zn, Pb, Cu and Ni carbonates, lead sulfate and lead chloride in water-insoluble salt systems. The resulting FS@IDA-Cd and FS@IDA-Pb chelates could be magnetically separated, resulting in removal rates of approximately 84.9% and 72.2% for Cd and Pb, respectively. FS@IDA could not remove the residual heavy metals and those bound to organic matter in the soil. FS@IDA did not significantly alter the chemical composition of the soil, and it allowed for fast chelating capture, simple magnetic separation and facilitated heavy metal elution. FS@IDA could also be easily prepared and reprocessed. PMID:26878770

Chelating capture and magnetic removal of non-magnetic heavy metal substances from soil.

PubMed

Fan, Liren; Song, Jiqing; Bai, Wenbo; Wang, Shengping; Zeng, Ming; Li, Xiaoming; Zhou, Yang; Li, Haifeng; Lu, Haiwei

2016-02-16

A soil remediation method based on magnetic beneficiation is reported. A new magnetic solid chelator powder, FS@IDA (core-shell Fe3O4@SiO2 nanoparticles coated with iminodiacetic acid chelators), was used as a reactive magnetic carrier to selectively capture non-magnetic heavy metals in soil by chelation and removal by magnetic separation. FS@IDA was prepared via inorganic-organic and organic synthesis reactions that generated chelating groups on the surface of magnetic, multi-core, core-shell Fe3O4@SiO2 (FS) nanoparticles. These reactions used a silane coupling agent and sodium chloroacetate. The results show that FS@IDA could chelate the heavy metal component of Cd, Zn, Pb, Cu and Ni carbonates, lead sulfate and lead chloride in water-insoluble salt systems. The resulting FS@IDA-Cd and FS@IDA-Pb chelates could be magnetically separated, resulting in removal rates of approximately 84.9% and 72.2% for Cd and Pb, respectively. FS@IDA could not remove the residual heavy metals and those bound to organic matter in the soil. FS@IDA did not significantly alter the chemical composition of the soil, and it allowed for fast chelating capture, simple magnetic separation and facilitated heavy metal elution. FS@IDA could also be easily prepared and reprocessed.

Chelating capture and magnetic removal of non-magnetic heavy metal substances from soil

NASA Astrophysics Data System (ADS)

Fan, Liren; Song, Jiqing; Bai, Wenbo; Wang, Shengping; Zeng, Ming; Li, Xiaoming; Zhou, Yang; Li, Haifeng; Lu, Haiwei

2016-02-01

A soil remediation method based on magnetic beneficiation is reported. A new magnetic solid chelator powder, FS@IDA (core-shell Fe3O4@SiO2 nanoparticles coated with iminodiacetic acid chelators), was used as a reactive magnetic carrier to selectively capture non-magnetic heavy metals in soil by chelation and removal by magnetic separation. FS@IDA was prepared via inorganic-organic and organic synthesis reactions that generated chelating groups on the surface of magnetic, multi-core, core-shell Fe3O4@SiO2 (FS) nanoparticles. These reactions used a silane coupling agent and sodium chloroacetate. The results show that FS@IDA could chelate the heavy metal component of Cd, Zn, Pb, Cu and Ni carbonates, lead sulfate and lead chloride in water-insoluble salt systems. The resulting FS@IDA-Cd and FS@IDA-Pb chelates could be magnetically separated, resulting in removal rates of approximately 84.9% and 72.2% for Cd and Pb, respectively. FS@IDA could not remove the residual heavy metals and those bound to organic matter in the soil. FS@IDA did not significantly alter the chemical composition of the soil, and it allowed for fast chelating capture, simple magnetic separation and facilitated heavy metal elution. FS@IDA could also be easily prepared and reprocessed.

Synthesis of amino-rich silica-coated magnetic nanoparticles for the efficient capture of DNA for PCR.

PubMed

Bai, Yalong; Cui, Yan; Paoli, George C; Shi, Chunlei; Wang, Dapeng; Zhou, Min; Zhang, Lida; Shi, Xianming

2016-09-01

Magnetic separation has great advantages over traditional bio-separation methods and has become popular in the development of methods for the detection of bacterial pathogens, viruses, and transgenic crops. Functionalization of magnetic nanoparticles is a key factor for efficient capture of the target analytes. In this paper, we report the synthesis of amino-rich silica-coated magnetic nanoparticles using a one-pot method. This type of magnetic nanoparticle has a rough surface and a higher density of amino groups than the nanoparticles prepared by a post-modification method. Furthermore, the results of hydrochloric acid treatment indicated that the magnetic nanoparticles were stably coated. The developed amino-rich silica-coated magnetic nanoparticles were used to directly adsorb DNA. After magnetic separation and blocking, the magnetic nanoparticles and DNA complexes were used directly for the polymerase chain reaction (PCR), without onerous and time-consuming purification and elution steps. The results of real-time quantitative PCR showed that the nanoparticles with higher amino group density resulted in improved DNA capture efficiency. The results suggest that amino-rich silica-coated magnetic nanoparticles are of great potential for efficient bio-separation of DNA prior to detection by PCR. Copyright © 2016. Published by Elsevier B.V.

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

Ratkiewicz, A.; Cizewski, J.A.; Pain, S.D.

The r-process is responsible for creating roughly half of the elements heavier than iron. It has recently become understood that the rates at which neutron capture reactions proceed at late times in the r-process may dramatically affect the final abundance pattern. However, direct measurements of neutron capture reaction rates on exotic nuclei are exceptionally difficult, necessitating the development of indirect approaches such as the surrogate technique. The (d,pγ) reaction at low energies was identified as a promising surrogate for the (n,γ) reaction, as both reactions share many characteristics. We report on a program to validate (d,pγ) as a surrogate formore » (n,γ) using 95Mo as a target. The experimental campaign includes direct measurements of the γ-ray intensities from the decay of excited states populated in the 95Mo(n,γ) and 95Mo(d,pγ) reactions.« less

The catalytic effect of H2O on the hydrolysis of CO32- in hydrated clusters and its implication in the humidity driven CO2 air capture.

PubMed

Xiao, Hang; Shi, Xiaoyang; Zhang, Yayun; Liao, Xiangbiao; Hao, Feng; Lackner, Klaus S; Chen, Xi

2017-10-18

The hydration of ions in nanoscale hydrated clusters is ubiquitous and essential in many physical and chemical processes. Here we show that the hydrolysis reaction is strongly affected by relative humidity. The hydrolysis of CO 3 2- with n = 1-8 water molecules is investigated using an ab initio method. For n = 1-5 water molecules, all the reactants follow a stepwise pathway to the transition state. For n = 6-8 water molecules, all the reactants undergo a direct proton transfer to the transition state with overall lower activation free energy. The activation free energy of the reaction is dramatically reduced from 10.4 to 2.4 kcal mol -1 as the number of water molecules increases from 1 to 6. Meanwhile, the degree of hydrolysis of CO 3 2- is significantly increased compared to the bulk water solution scenario. Incomplete hydration shells facilitate the hydrolysis of CO 3 2- with few water molecules to be not only thermodynamically favorable but also kinetically favorable. We showed that the chemical kinetics is not likely to constrain the speed of CO 2 air capture driven by the humidity-swing. Instead, the pore-diffusion of ions is expected to be the time-limiting step in the humidity driven CO 2 air capture. The effect of humidity on the speed of CO 2 air capture was studied by conducting a CO 2 absorption experiment using IER with a high ratio of CO 3 2- to H 2 O molecules. Our result is able to provide valuable insights into designing efficient CO 2 air-capture sorbents.

Study of the nucleon radiative captures 8Li(n,γ)9Li, 9Be(p,γ)10B, 10Be(n,γ)11Be, 10B(p,γ)11C, and 16O(p,γ)17F at thermal and astrophysical energies

NASA Astrophysics Data System (ADS)

Dubovichenko, Sergey; Dzhazairov-Kakhramanov, Albert

We have studied the neutron-capture reactions 8Li(n,γ)9Li and its role in the primordial nucleosynthesis. The n +8Li →9Li + γ reaction has a significant astrophysical interest because it includes one of the variants of chain of primordial nucleosynthesis processes of the Universe and thermonuclear reactions in type II supernovae. Furthermore, we consider the 9Be(p,γ)10B reaction in the astrophysical energy range in the modified potential cluster model (MPCM) with splitting of orbital states according to Young tableaux and, in some cases, with forbidden states (FS). The reaction 9Be(p,γ)10B plays an important role in primordial and stellar nucleosynthesis of light elements in the p shell. Hydrogen burning in second-generation stars occurs via the proton-proton (pp) chain and CNO cycle, with the 9Be(p,γ)10B reaction serving as an intermediate link between these cycles. Furthermore, the possibility of describing available experimental data for the total reaction cross-sections of neutron radiative capture on 10Be at thermal and astrophysical energies has been shown. This reaction is a part of one of the variants of the chain of primordial nucleosynthesis of the Universe due to which the elements with a mass of A > 11-12 may be formed. The results in the field of study of thermonuclear proton-capture reaction on 10B at ultralow, i.e., astrophysical energies will be presented further. The possibility of description of the experimental data for the astrophysical S-factor of the proton radiative capture on 16O to the ground state (GS) of 17F was considered in the frame of the MPCM with FS and classification of the states according to Young tableaux. It was shown that on the basis of the E1 transitions from the states of p16O scattering to the GS of 17F in the p16O channel generally succeed to explain the value of measured cross-sections at astrophysical energies.

Single-cell barcoding and sequencing using droplet microfluidics.

PubMed

Zilionis, Rapolas; Nainys, Juozas; Veres, Adrian; Savova, Virginia; Zemmour, David; Klein, Allon M; Mazutis, Linas

2017-01-01

Single-cell RNA sequencing has recently emerged as a powerful tool for mapping cellular heterogeneity in diseased and healthy tissues, yet high-throughput methods are needed for capturing the unbiased diversity of cells. Droplet microfluidics is among the most promising candidates for capturing and processing thousands of individual cells for whole-transcriptome or genomic analysis in a massively parallel manner with minimal reagent use. We recently established a method called inDrops, which has the capability to index >15,000 cells in an hour. A suspension of cells is first encapsulated into nanoliter droplets with hydrogel beads (HBs) bearing barcoding DNA primers. Cells are then lysed and mRNA is barcoded (indexed) by a reverse transcription (RT) reaction. Here we provide details for (i) establishing an inDrops platform (1 d); (ii) performing hydrogel bead synthesis (4 d); (iii) encapsulating and barcoding cells (1 d); and (iv) RNA-seq library preparation (2 d). inDrops is a robust and scalable platform, and it is unique in its ability to capture and profile >75% of cells in even very small samples, on a scale of thousands or tens of thousands of cells.

Process development for production of coal/sorbent agglomerates

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

Rapp, D.M.

1991-01-01

The goal of this work was to develop a process flow diagram to economically produce a clean-burning fuel from fine Illinois coal. To accomplish this, the process of pelletizing fine coal with calcium hydroxide, a sulfur capturing sorbent, was investigated. Carbonation, which is the reaction of calcium hydroxide with carbon dioxide (in the presence of moisture) to produce a bonding matrix of calcium carbonate, was investigated as a method for improving pellet quality and reducing binder costs. Proper moisture level is critical to allow the reaction to occur. If too much moisture is present in a pellet, the pore spacesmore » are filled and carbon dioxide must diffuse through the water to reach the calcium hydroxide and react. This severely slows or stops the reaction. The ideal situation is when there is just enough moisture to coat the calcium hydroxide allowing for the reaction to proceed. The process has been successfully demonstrated on a pilot-scale as a method of hardening iron ore pellets (Imperato, 1966). Two potential combustion options are being considered for the coal/calcium hydroxide pellets: fluidized bed combustors and industrial stoker boilers.« less

Calibration of the borated ion chamber at NIST reactor thermal column.

PubMed

Wang, Z; Hertel, N E; Lennox, A

2007-01-01

In boron neutron capture therapy and boron neutron capture enhanced fast neutron therapy, the absorbed dose of tissue due to the boron neutron capture reaction is difficult to measure directly. This dose can be computed from the measured thermal neutron fluence rate and the (10)B concentration at the site of interest. A borated tissue-equivalent (TE) ion chamber can be used to directly measure the boron dose in a phantom under irradiation by a neutron beam. Fermilab has two Exradin 0.5 cm(3) Spokas thimble TE ion chambers, one loaded with boron, available for such measurements. At the Fermilab Neutron Therapy Facility, these ion chambers are generally used with air as the filling gas. Since alpha particles and lithium ions from the (10)B(n,alpha)(7)Li reactions have very short ranges in air, the Bragg-Gray principle may not be satisfied for the borated TE ion chamber. A calibration method is described in this paper for the determination of boron capture dose using paired ion chambers. The two TE ion chambers were calibrated in the thermal column of the National Institute of Standards and Technology (NIST) research reactor. The borated TE ion chamber is loaded with 1,000 ppm of natural boron (184 ppm of (10)B). The NIST thermal column has a cadmium ratio of greater than 400 as determined by gold activation. The thermal neutron fluence rate during the calibration was determined using a NIST fission chamber to an accuracy of 5.1%. The chambers were calibrated at two different thermal neutron fluence rates: 5.11 x 10(6) and 4.46 x 10(7)n cm(-2) s(-1). The non-borated ion chamber reading was used to subtract collected charge not due to boron neutron capture reactions. An optically thick lithium slab was used to attenuate the thermal neutrons from the neutron beam port so the responses of the chambers could be corrected for fast neutrons and gamma rays in the beam. The calibration factor of the borated ion chamber was determined to be 1.83 x 10(9) +/- 5.5% (+/- 1sigma) n cm(-2) per nC at standard temperature and pressure condition.

Application of PIXE in the determination of the production cross section of a radionuclide decaying by electron capture

NASA Astrophysics Data System (ADS)

Morales, J. R.; Chesta, M. A.; Cancino, S. A.; Miranda, P. A.; Dinator, M. I.; Avila, M. J.

2005-01-01

Proton induced X-ray emission (PIXE) has been applied to the measurement of the production cross section of a radionuclide decaying by electron capture. By performing a PIXE type experiment on the daughter nuclide important advantages are obtained. The determination of some factors with usually large uncertainties, like solid angle and detector efficiency were avoided. The method was applied to the determination of cross section of the reaction 63Cu(d, p)64Cu at 2.4 MeV for 64Cu production. This result is in full agreement with that obtained through the decay of the 1346 keV gamma ray of 64Cu.

Cross Section Measurements of the Radioactive 107Pd and Stable 105,108Pd Nuclei at J-PARC/MLF/ANNRI

NASA Astrophysics Data System (ADS)

Nakamura, S.; Kimura, A.; Kitatani, F.; Ohta, M.; Furutaka, K.; Goko, S.; Hara, K. Y.; Harada, H.; Hirose, K.; Kin, T.; Koizumi, M.; Oshima, M.; Toh, Y.; Kino, K.; Hiraga, F.; Kamiyama, T.; Kiyanagi, Y.; Katabuchi, T.; Mizumoto, M.; Igashira, M.; Hori, J.; Fujii, T.; Fukutani, S.; Takamiya, K.

2014-05-01

The measurements of the neutron-capture cross sections were performed for the radioactive 107Pd and stable 105,108Pd nuclei by the time-of flight method using an apparatus called “Accurate Neutron-Nucleus Reaction measurement Instrument (ANNRI)” installed at the neutron Beam Line No.4 of the Materials and Life science experimental Facility (MLF) in the J-PARC. The neutron-capture cross sections of 107Pd and 105,108Pd have been measured in the low energy region from the thermal to a few hundreds eV. From the measurements, new information was obtained for some resonances of these Pd nuclei.

Determination of 20Ne(p ,γ )21Na cross sections from Ep=500 -2000 keV

NASA Astrophysics Data System (ADS)

Lyons, S.; Görres, J.; deBoer, R. J.; Stech, E.; Chen, Y.; Gilardy, G.; Liu, Q.; Long, A. M.; Moran, M.; Robertson, D.; Seymour, C.; Vande Kolk, B.; Wiescher, M.; Best, A.

2018-06-01

Background: The reaction 20Ne(p ,γ )21Na influences the nucleosynthesis of Ne, Na, and Mg isotopes while contributing to hydrogen burning in several stellar sites, such as red giants, asymptotic giant branch (AGB) stars, massive stars, and oxygen-neon (ONe) novae. In the relevant temperature range for these environments (T = 0.05-0.5 GK), the main contributions to this reaction rate are from the direct capture process as well as the high-energy tail of a subthreshold resonance in the ground-state transition at Ex = 2425 keV in the 21Na compound nucleus. Purpose: The previous measurement of this reaction reports cross sections with large uncertainties for the ground-state transition. At higher energies, where the subthreshold resonance makes a smaller contribution to the total cross section, only upper limits are provided. This work aims to reduce the uncertainty in the cross section where direct capture dominates, as well as provide cross-section data in previously unmeasured regions. Method: The 20Ne(p ,γ )21Na reaction was measured over a wide proton energy range (Ep = 0.5-2.0 MeV) at θlab = 90∘. Transitions to the ground state and to the 332 and 2425 keV excited states were observed. The primary transitions to these three bound states were utilized in an R -matrix analysis to determine the contributions of the direct capture and the subthreshold resonance to the total cross section. Results: The cross sections of the present measurements have been found to be in good agreement with the previous data at low energy. Significantly improved cross-section measurements have been obtained over the Ep = 1300-1900 keV region. The narrow resonance at Ec.m. = 1113 keV (Ex = 3544.3 keV) has also been remeasured and its strength has been found to be in good agreement with previous measurements. Conclusions: An extrapolation of the S factor of 20Ne(p ,γ )21Na has been made to low energies using the R -matrix fit. The reaction rate from the subthreshold resonance was found to be the main contributor to the reaction rate at temperatures below about 0.1 GK. The present rate is lower in the temperature range of interest than those presented in current reaction rate libraries by up to 20%.

THM determination of the 65 keV resonance strength intervening in the {sup 17}O(p,α){sup 14}N reaction rate

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

Sergi, M. L.; La Cognata, M.; Pizzone, R. G.

2015-02-24

The {sup 17}O(p,α){sup 14}N reaction is of paramount importance for the nucleosynthesis in a number of stellar sites, including red giants (RG), asymptotic giant branch (AGB) stars, massive stars and classical novae. We report on the indirect study of the {sup 17}O(p,α){sup 14}N reaction via the Trojan Horse Method by applying the approach recently developed for extracting the resonance strength of the narrow resonance at E{sub c.m.}{sup R} = 65 keV (E{sub X} =5.673 MeV). The strength of the 65 keV resonance in the {sup 17}O(p,α){sup 14}N reaction, measured by means of the THM, has been used to renormalize the corresponding resonancemore » strength in the {sup 17}O+p radiative capture channel.« less

Calculation of astrophysical S-factor and reaction rate in 12C(p, γ)13N reaction

NASA Astrophysics Data System (ADS)

Moghadasi, A.; Sadeghi, H.; Pourimani, R.

2018-02-01

The 12C(p, γ)13N reaction is the first process in the CNO cycle. Also it is a source of low-energy solar neutrinos in various neutrino experiments. Therefore, it is of high interest to gain data of the astrophysical S-factor in low energies. By applying Faddeev's method, we calculated wave functions for the bound state of 13N. Then the cross sections for resonance and non-resonance were calculated through using Breit-Wigner and direct capture cross section formulae, respectively. After that, we calculated the total S-factor and compared it with previous experimental data, revealing a good agreement altogether. Then, we extrapolated the S-factor in zero energy and the result was 1.32 ± 0.19 (keV.b). In the end, we calculated reaction rate and compared it with NACRE data.

In vitro screening of Fe2+-chelating effect by a Fenton's reaction-luminol chemiluminescence system.

PubMed

Wada, Mitsuhiro; Komatsu, Hiroaki; Ikeda, Rie; Aburjai, Talal A; Alkhalil, Suleiman M; Kuroda, Naotaka; Nakashima, Kenichiro

2014-11-01

In vitro screening of a Fe(2+) -chelating effect using a Fenton's reaction-luminol chemiluminescence (CL) system is described. The luminescence between the reactive oxygen species generated by the Fenton's reaction and luminol was decreased on capturing Fe(2+) using a chelator. The proposed method can prevent the consumption of expensive seed compounds (drug discovery candidates) owing to the high sensitivity of CL detection. Therefore, the assay could be performed using small volumes of sample solution (150 μL) at micromolar concentrations. After optimization of the screening conditions, the efficacies of conventional chelators such as ethylenediaminetetraacetic acid (EDTA), diethylentriaminepentaacetic acid (DETAPAC), deferoxamine, deferiprone and 1,10-phenanthroline were examined. EC50 values for these compounds (except 1,10-phenanthroline) were in the range 3.20 ± 0.87 to 9.57 ± 0.64 μM (n = 3). Rapid measurement of the Fe(2+)-chelating effect with an assay run time of a few minutes could be achieved using the proposed method. In addition, the specificity of the method was discussed. Copyright © 2014 John Wiley & Sons, Ltd.

Proton threshold states in the Na22(p,γ)Mg23 reaction and astrophysical implications

NASA Astrophysics Data System (ADS)

Comisel, H.; Hategan, C.; Graw, G.; Wolter, H. H.

2007-04-01

Proton threshold states in Mg23 are important for the astrophysically relevant proton capture reaction Na22(p,γ)Mg23. In the indirect determination of the resonance strength of the lowest states, which were not accessible by direct methods, some of the spin-parity-assignments remained experimentally uncertain. We have investigated these states with shell model, Coulomb displacement, and Thomas-Ehrman shift calculations. From the comparison of calculated and observed properties, we relate the lowest relevant resonance state at Ex=7643 keV to an excited 3/2+ state in accordance with a recent experimental determination by Jenkins From this we deduce significantly improved values for the Na22(p,γ)Mg23 reaction rate at stellar temperatures below T9=0.1 K.

Microscopic approach based on a multiscale algebraic version of the resonating group model for radiative capture reactions

NASA Astrophysics Data System (ADS)

Solovyev, Alexander S.; Igashov, Sergey Yu.

2017-12-01

A microscopic approach to description of radiative capture reactions based on a multiscale algebraic version of the resonating group model is developed. The main idea of the approach is to expand wave functions of discrete spectrum and continuum for a nuclear system over different bases of the algebraic version of the resonating group model. These bases differ from each other by values of oscillator radius playing a role of scale parameter. This allows us in a unified way to calculate total and partial cross sections (astrophysical S factors) as well as branching ratio for the radiative capture reaction, to describe phase shifts for the colliding nuclei in the initial channel of the reaction, and at the same time to reproduce breakup thresholds of the final nucleus. The approach is applied to the theoretical study of the mirror 3H(α ,γ )7Li and 3He(α ,γ )7Be reactions, which are of great interest to nuclear astrophysics. The calculated results are compared with existing experimental data and with our previous calculations in the framework of the single-scale algebraic version of the resonating group model.

Online Training: The Value of Capturing Trainee Reactions

ERIC Educational Resources Information Center

Long, Lori K.; DuBois, Cathy Z.; Faley, Robert H.

2008-01-01

Purpose: Despite years of advice from researchers that trainee reactions provide training evaluation information that is of very limited use, trainee reactions remain the most commonly used measure of training effectiveness. Because the technology that supports online training facilitates the collection of trainee reaction information during and…

Epithermal neutron beams from the 7 Li(p,n) reaction near the threshold for neutron capture therapy

NASA Astrophysics Data System (ADS)

Porras, I.; Praena, J.; Arias de Saavedra, F.; Pedrosa, M.; Esquinas, P.; L. Jiménez-Bonilla, P.

2016-11-01

Two applications for neutron capture therapy of epithermal neutron beams calculated from the 7Li ( p , n reaction are discussed. In particular, i) for a proton beam of 1920 keV of a 30 mA, a neutron beam of adequate features for BNCT is found at an angle of 80° from the forward direction; and ii) for a proton beam of 1910 keV, a neutron beam is obtained at the forward direction suitable for performing radiobiology experiments for the determination of the biological weighting factors of the fast dose component in neutron capture therapy.

Capture-gated Spectroscopic Measurements of Monoenergetic Neutrons with a Composite Scintillation Detector

NASA Astrophysics Data System (ADS)

Nattress, Jason; Mayer, M.; Foster, A.; Meddeb, A. Barhoumi; Trivelpiece, C.; Ounaies, Z.; Jovanovic, I.

2016-04-01

We report on the measurements of monoenergetic neutrons from DD and DT fusion reactions by use of the capture gating method in a heterogeneous plastic-glass composite scintillation detector. The cylindrical detector is 5.08 cm in diameter and 5.05 cm in height and was fabricated using 1-mm diameter Li-doped glass rods (GS20) and scintillating polyvinyl toluene (EJ-290). Different scintillation decay constants are used to identify energy depositions in two materials constituting the composite scintillator. Geant4 simulations of the neutron thermalization and capture process were conducted, finding a mean capture time of approximately 2.6 μs for both DD and DT neutrons. A capture gating time acceptance window based on simulation results was used to identify the neutron thermalization pulses. The total scintillation light yield produced in neutron thermalization was measured and found to show consistency on event-by-event basis despite the variety of neutron thermalization histories prior to capture. The ratio of light yields from thermalization of 14.1 MeV and 2.45 MeV neutrons in the EJ-290 scintillator was determined to be 14.6, and the light output from 2.45 MeV neutrons was also correlated to its electron equivalent, obtaining a value of 0.58±0.05 MeVee.

Concurrent Application of ANC and THM to assess the 13C(α, n)16O Absolute Cross Section at Astrophysical Energies and Possible Consequences for Neutron Production in Low-mass AGB Stars

NASA Astrophysics Data System (ADS)

Trippella, O.; La Cognata, M.

2017-03-01

The {}13{{C}}{(α ,n)}16{{O}} reaction is considered to be the main neutron source responsible for the production of heavy nuclides (from {Sr} to {Bi}) through slow n-capture nucleosynthesis (s-process) at low temperatures during the asymptotic giant branch phase of low-mass stars (≲ 3{--}4 {M}⊙ , or LMSs). In recent years, several direct and indirect measurements have been carried out to determine the cross section at the energies of astrophysical interest (around 190+/- 40 {keV}). However, they yield inconsistent results that cause a highly uncertain reaction rate and affect the neutron release in LMSs. In this work we have combined two indirect approaches, the asymptotic normalization coefficient and the Trojan horse method, to unambiguously determine the absolute value of the {}13{{C}}{(α ,n)}16{{O}} astrophysical factor. With these, we have determined a very accurate reaction rate to be introduced into astrophysical models of s-process nucleosynthesis in LMSs. Calculations using this recommended rate have shown limited variations in the production of those neutron-rich nuclei (with 86≤slant A≤slant 209) that receive contribution only by slow neutron captures.

Cationic polyelectrolyte functionalized magnetic particles assisted highly sensitive pathogens detection in combination with polymerase chain reaction and capillary electrophoresis.

PubMed

Chen, Jia; Lin, Yuexin; Wang, Yu; Jia, Li

2015-06-01

Pathogenic bacteria cause significant morbidity and mortality to humans. There is a pressing need to establish a simple and reliable method to detect them. Herein, we show that magnetic particles (MPs) can be functionalized by poly(diallyl dimethylammonium chloride) (PDDA), and the particles (PDDA-MPs) can be utilized as adsorbents for capture of pathogenic bacteria from aqueous solution based on electrostatic interaction. The as-prepared PDDA-MPs were characterized by Fourier-transform infrared spectroscopy, zeta potential, vibrating sample magnetometry, X-ray diffraction spectrometry, scanning electron microscopy, and transmission electron microscopy. The adsorption equilibrium time can be achieved in 3min. According to the Langmuir adsorption isotherm, the maximum adsorption capacities for E. coli O157:H7 (Gram-negative bacteria) and L. monocytogenes (Gram-positive bacteria) were calculated to be 1.8×10(9) and 3.1×10(9)cfumg(-1), respectively. The bacteria in spiked mineral water (1000mL) can be completely captured when applying 50mg of PDDA-MPs and an adsorption time of 5min. In addition, PDDA-MPs-based magnetic separation method in combination with polymerase chain reaction and capillary electrophoresis allows for rapid detection of 10(1)cfumL(-1) bacteria. Copyright © 2015 Elsevier B.V. All rights reserved.

Recent progress in ab-initio studies of nuclear reactions of astrophysical interest with A ≤ 3

NASA Astrophysics Data System (ADS)

Marcucci, Laura E.

2018-03-01

We review the most recent theoretical studies of nuclear reactions of astrophysical interest involving few-nucleon systems. In particular, we focus on the consequences for the solar neutrino fluxes of the recent determination for the astrophysical S-factor of the proton weak capture by proton, and on the radiative capture of protons by deuterons in the energy range of interest for Big Bang Nucleosynthesis.

Single molecule targeted sequencing for cancer gene mutation detection.

PubMed

Gao, Yan; Deng, Liwei; Yan, Qin; Gao, Yongqian; Wu, Zengding; Cai, Jinsen; Ji, Daorui; Li, Gailing; Wu, Ping; Jin, Huan; Zhao, Luyang; Liu, Song; Ge, Liangjin; Deem, Michael W; He, Jiankui

2016-05-19

With the rapid decline in cost of sequencing, it is now affordable to examine multiple genes in a single disease-targeted clinical test using next generation sequencing. Current targeted sequencing methods require a separate step of targeted capture enrichment during sample preparation before sequencing. Although there are fast sample preparation methods available in market, the library preparation process is still relatively complicated for physicians to use routinely. Here, we introduced an amplification-free Single Molecule Targeted Sequencing (SMTS) technology, which combined targeted capture and sequencing in one step. We demonstrated that this technology can detect low-frequency mutations using artificially synthesized DNA sample. SMTS has several potential advantages, including simple sample preparation thus no biases and errors are introduced by PCR reaction. SMTS has the potential to be an easy and quick sequencing technology for clinical diagnosis such as cancer gene mutation detection, infectious disease detection, inherited condition screening and noninvasive prenatal diagnosis.

Development of a specific immunomagnetic capture-PCR for rapid detection of viable Mycoplasma agalactiae in sheep milk samples.

PubMed

Sanna, G; Lecca, V; Foddai, A; Tola, S

2014-12-01

To develop an immunomagnetic capture (IMC) to detect viable Mycoplasma agalactiae in routine ovine milk samples. Polyclonal antibodies against two M. agalactiae membrane surface proteins (P80 and P55) were covalently conjugated to magnetic beads (MBs) to form MB-Ab80 and MB-Ab55. Mycoplasma agalactiae cells were captured by a specific antigen-antibody reaction and magnetic separation. Immunomagnetic capture (IMC) was used to isolate and concentrate M. agalactiae in serial decimal dilutions and in artificially contaminated milk to facilitate subsequent detection by PCR. A 375-bp fragment of M. agalactiae was amplified using a pair of M. agalactiae-specific primers in PCR. The limit of detection of IMC-PCR method ranged from 10 to 10(2)  CCU ml(-1) when mycoplasmas were resuspended in PBS and from 10(2) to 10(3)  CCU ml(-1) when mycoplasmas were resuspended in uncontaminated ovine milk. This study also describes the application of IMC-PCR method to test for M. agalactiae in 516 milk samples collected from sheep with suspected contagious agalactia. Its performance was evaluated relative to culture. This report has demonstrated for the first time, the effective use of rapid and reliable IMC combined with PCR assay for the detection of viable M. agalactiae. The method IMC-PCR provides an alternative to conventional microbiological detection, method and it could be applied to quick detection of M. agalactiae in routine sheep milk samples. © 2014 The Authors published by John Wiley & Sons Ltd on behalf of Society for Applied Microbiology.

Estimation of Ground Reaction Forces and Moments During Gait Using Only Inertial Motion Capture

PubMed Central

Karatsidis, Angelos; Bellusci, Giovanni; Schepers, H. Martin; de Zee, Mark; Andersen, Michael S.; Veltink, Peter H.

2016-01-01

Ground reaction forces and moments (GRF&M) are important measures used as input in biomechanical analysis to estimate joint kinetics, which often are used to infer information for many musculoskeletal diseases. Their assessment is conventionally achieved using laboratory-based equipment that cannot be applied in daily life monitoring. In this study, we propose a method to predict GRF&M during walking, using exclusively kinematic information from fully-ambulatory inertial motion capture (IMC). From the equations of motion, we derive the total external forces and moments. Then, we solve the indeterminacy problem during double stance using a distribution algorithm based on a smooth transition assumption. The agreement between the IMC-predicted and reference GRF&M was categorized over normal walking speed as excellent for the vertical (ρ = 0.992, rRMSE = 5.3%), anterior (ρ = 0.965, rRMSE = 9.4%) and sagittal (ρ = 0.933, rRMSE = 12.4%) GRF&M components and as strong for the lateral (ρ = 0.862, rRMSE = 13.1%), frontal (ρ = 0.710, rRMSE = 29.6%), and transverse GRF&M (ρ = 0.826, rRMSE = 18.2%). Sensitivity analysis was performed on the effect of the cut-off frequency used in the filtering of the input kinematics, as well as the threshold velocities for the gait event detection algorithm. This study was the first to use only inertial motion capture to estimate 3D GRF&M during gait, providing comparable accuracy with optical motion capture prediction. This approach enables applications that require estimation of the kinetics during walking outside the gait laboratory. PMID:28042857

Improved measurement of ozone and carbonyls using a dual-bed sampling cartridge containing trans-1,2-bis(2-pyridyl)ethylene and 2,4-dinitrophenylhydrazine-impregnated silica.

PubMed

Uchiyama, Shigehisa; Naito, Suekazu; Matsumoto, Mariko; Inaba, Yohei; Kunugita, Naoki

2009-08-01

We have previously developed a new method using trans-1,2-bis-(4-pyridyl)ethylene (4-BPE) and 2,4-dinitrophenylhydrazine (DNPH) for the simultaneous determination of ozone and carbonyls in air using a two-bed cartridge system. In this method, 4-BPE was used to capture ozone. However, the method suffered from long reaction times in the eluate, low solubility of the DNPH derivative, and a strong dependence on atmospheric moisture. These problems could be overcome by using trans-1,2-bis-(2-pyridyl)ethylene (2-BPE) in place of 4-BPE. The efficiency of the reaction of ozone with 2-BPE to form pyridine-2-aldehyde (2PA) is higher than the corresponding reaction with 4-BPE. Under the optimized elution conditions, the reaction times of 2PA and 4PA with DNPH are within 15 and 120 min, respectively. In the elution from the sampling cartridge, 2PA formed from 2-BPE and ozone is easier to dissolve in the elution solvent. A stronger influence of humidity was observed in ozone recovery by the 4-BPE/DNPH method. 2-BPE exhibits a maximum reaction efficiency of 84% at 32% relative humidity (RH), while 4-BPE attains a maximum reaction efficiency of 82% at 49% RH. Humidity has much less influence on the reaction of 2-BPE with ozone. Above 18% RH, the reaction efficiency of 2-BPE with ozone is in the range 80-84%. Thus, 2-BPE is the more useful reagent for ozone analysis. The concentrations of ozone and carbonyls by the improved 2-BPE/DNPH method corresponded with the mean value by an ozone auto analyzer in an air monitoring station and a DNPH cartridge coupled with a KI-ozone scrubbing cartridge.

Particle-scale CO2 adsorption kinetics modeling considering three reaction mechanisms

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

Suh, Dong-Myung; Sun, Xin

2013-09-01

In the presence of water (H2O), dry and wet adsorptions of carbon dioxide (CO2) and physical adsorption of H2O happen concurrently in a sorbent particle. The three reactions depend on each other and have a complicated, but important, effect on CO2 capturing via a solid sorbent. In this study, transport phenomena in the sorbent were modeled, including the tree reactions, and a numerical solving procedure for the model also was explained. The reaction variable distribution in the sorbent and their average values were calculated, and simulation results were compared with experimental data to validate the proposed model. Some differences, causedmore » by thermodynamic parameters, were observed between them. However, the developed model reasonably simulated the adsorption behaviors of a sorbent. The weight gained by each adsorbed species, CO2 and H2O, is difficult to determine experimentally. It is known that more CO2 can be captured in the presence of water. Still, it is not yet known quantitatively how much more CO2 the sorbent can capture, nor is it known how much dry and wet adsorptions separately account for CO2 capture. This study addresses those questions by modeling CO2 adsorption in a particle and simulating the adsorption process using the model. As adsorption temperature changed into several values, the adsorbed amount of each species was calculated. The captured CO2 in the sorbent particle was compared quantitatively between dry and wet conditions. As the adsorption temperature decreased, wet adsorption increased. However, dry adsorption was reduced.« less

Sub-barrier quasifission in heavy element formation reactions with deformed actinide target nuclei

NASA Astrophysics Data System (ADS)

Hinde, D. J.; Jeung, D. Y.; Prasad, E.; Wakhle, A.; Dasgupta, M.; Evers, M.; Luong, D. H.; du Rietz, R.; Simenel, C.; Simpson, E. C.; Williams, E.

2018-02-01

Background: The formation of superheavy elements (SHEs) by fusion of two massive nuclei is severely inhibited by the competing quasifission process. Low excitation energies favor SHE survival against fusion-fission competition. In "cold" fusion with spherical target nuclei near 208Pb, SHE yields are largest at beam energies significantly below the average capture barrier. In "hot" fusion with statically deformed actinide nuclei, this is not the case. Here the elongated deformation-aligned configurations in sub-barrier capture reactions inhibits fusion (formation of a compact compound nucleus), instead favoring rapid reseparation through quasifission. Purpose: To determine the probabilities of fast and slow quasifission in reactions with prolate statically deformed actinide nuclei, through measurement and quantitative analysis of the dependence of quasifission characteristics at beam energies spanning the average capture barrier energy. Methods: The Australian National University Heavy Ion Accelerator Facility and CUBE fission spectrometer have been used to measure fission and quasifission mass and angle distributions for reactions with projectiles from C to S, bombarding Th and U target nuclei. Results: Mass-asymmetric quasifission occurring on a fast time scale, associated with collisions with the tips of the prolate actinide nuclei, shows a rapid increase in probability with increasing projectile charge, the transition being centered around projectile atomic number ZP=14 . For mass-symmetric fission events, deviations of angular anisotropies from expectations for fusion fission, indicating a component of slower quasifission, suggest a similar transition, but centered around ZP˜8 . Conclusions: Collisions with the tips of statically deformed prolate actinide nuclei show evidence for two distinct quasifission processes of different time scales. Their probabilities both increase rapidly with the projectile charge. The probability of fusion can be severely suppressed by these two quasifission processes, since the sub-barrier heavy element yield is likely to be determined by the product of the probabilities of surviving each quasifission process.

The {sup 18}O(d,p){sup 19}O reaction and the ANC method

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

Burjan, V.; Hons, Z.; Kroha, V.

2014-05-09

The neutron capture rate {sup 18}O(n,γ){sup 19}O is important for analysis of nucleosynthesis in inhomogeneous Big Bang models and also for models of processes in massive red giant stars and AGB stars. Angular distributions of the {sup 18}O(d,p){sup 19}O reaction were measured at a deuteron energy of 16.3 MeV in NPI in Řež, Czech Republic, with the aim to determine Asymptotic Normalization Coefficients which can then be used for indirect determination of the direct contribution to the {sup 18}O(n,γ){sup 19}O process. In the experiment, the gas target with {sup 18}O isotope of high purity 99.9 % was used thus eliminatingmore » any contaminating reactions. Reaction products were measured by the set of 8 ΔE-E telescopes consisting of thin and thick silicon surface-barrier detectors. Angular distributions of proton transfers corresponding to 6 levels of {sup 19}O up to the 4.1093 MeV excitation energy were determined. The analysis of angular distributions in the angular range from 6 to 64 degree including also the angular distribution of elastically scattered deuterons was carried out by means of ECIS and DWUCK codes. From the determined ANCs the direct contribution to the radiative capture {sup 18}O(n,γ){sup 19}O was deduced and compared with existing direct measurements.« less

A simple novel device for air sampling by electrokinetic capture

DOE PAGES

Gordon, Julian; Gandhi, Prasanthi; Shekhawat, Gajendra; ...

2015-12-27

A variety of different sampling devices are currently available to acquire air samples for the study of the microbiome of the air. All have a degree of technical complexity that limits deployment. Here, we evaluate the use of a novel device, which has no technical complexity and is easily deployable. An air-cleaning device powered by electrokinetic propulsion has been adapted to provide a universal method for collecting samples of the aerobiome. Plasma-induced charge in aerosol particles causes propulsion to and capture on a counter-electrode. The flow of ions creates net bulk airflow, with no moving parts. A device and electrodemore » assembly have been re-designed from air-cleaning technology to provide an average air flow of 120 lpm. This compares favorably with current air sampling devices based on physical air pumping. Capture efficiency was determined by comparison with a 0.4 μm polycarbonate reference filter, using fluorescent latex particles in a controlled environment chamber. Performance was compared with the same reference filter method in field studies in three different environments. For 23 common fungal species by quantitative polymerase chain reaction (qPCR), there was 100 % sensitivity and apparent specificity of 87%, with the reference filter taken as “gold standard.” Further, bacterial analysis of 16S RNA by amplicon sequencing showed equivalent community structure captured by the electrokinetic device and the reference filter. Unlike other current air sampling methods, capture of particles is determined by charge and so is not controlled by particle mass. We analyzed particle sizes captured from air, without regard to specific analyte by atomic force microscopy: particles at least as low as 100 nM could be captured from ambient air. This work introduces a very simple plug-and-play device that can sample air at a high-volume flow rate with no moving parts and collect particles down to the sub-micron range. In conclusion, the performance of the device is substantially equivalent to capture by pumping through a filter for microbiome analysis by quantitative PCR and amplicon sequencing.« less

A simple novel device for air sampling by electrokinetic capture

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

Gordon, Julian; Gandhi, Prasanthi; Shekhawat, Gajendra

A variety of different sampling devices are currently available to acquire air samples for the study of the microbiome of the air. All have a degree of technical complexity that limits deployment. Here, we evaluate the use of a novel device, which has no technical complexity and is easily deployable. An air-cleaning device powered by electrokinetic propulsion has been adapted to provide a universal method for collecting samples of the aerobiome. Plasma-induced charge in aerosol particles causes propulsion to and capture on a counter-electrode. The flow of ions creates net bulk airflow, with no moving parts. A device and electrodemore » assembly have been re-designed from air-cleaning technology to provide an average air flow of 120 lpm. This compares favorably with current air sampling devices based on physical air pumping. Capture efficiency was determined by comparison with a 0.4 μm polycarbonate reference filter, using fluorescent latex particles in a controlled environment chamber. Performance was compared with the same reference filter method in field studies in three different environments. For 23 common fungal species by quantitative polymerase chain reaction (qPCR), there was 100 % sensitivity and apparent specificity of 87%, with the reference filter taken as “gold standard.” Further, bacterial analysis of 16S RNA by amplicon sequencing showed equivalent community structure captured by the electrokinetic device and the reference filter. Unlike other current air sampling methods, capture of particles is determined by charge and so is not controlled by particle mass. We analyzed particle sizes captured from air, without regard to specific analyte by atomic force microscopy: particles at least as low as 100 nM could be captured from ambient air. This work introduces a very simple plug-and-play device that can sample air at a high-volume flow rate with no moving parts and collect particles down to the sub-micron range. In conclusion, the performance of the device is substantially equivalent to capture by pumping through a filter for microbiome analysis by quantitative PCR and amplicon sequencing.« less

A simple novel device for air sampling by electrokinetic capture.

PubMed

Gordon, Julian; Gandhi, Prasanthi; Shekhawat, Gajendra; Frazier, Angel; Hampton-Marcell, Jarrad; Gilbert, Jack A

2015-12-27

A variety of different sampling devices are currently available to acquire air samples for the study of the microbiome of the air. All have a degree of technical complexity that limits deployment. Here, we evaluate the use of a novel device, which has no technical complexity and is easily deployable. An air-cleaning device powered by electrokinetic propulsion has been adapted to provide a universal method for collecting samples of the aerobiome. Plasma-induced charge in aerosol particles causes propulsion to and capture on a counter-electrode. The flow of ions creates net bulk airflow, with no moving parts. A device and electrode assembly have been re-designed from air-cleaning technology to provide an average air flow of 120 lpm. This compares favorably with current air sampling devices based on physical air pumping. Capture efficiency was determined by comparison with a 0.4 μm polycarbonate reference filter, using fluorescent latex particles in a controlled environment chamber. Performance was compared with the same reference filter method in field studies in three different environments. For 23 common fungal species by quantitative polymerase chain reaction (qPCR), there was 100 % sensitivity and apparent specificity of 87 %, with the reference filter taken as "gold standard." Further, bacterial analysis of 16S RNA by amplicon sequencing showed equivalent community structure captured by the electrokinetic device and the reference filter. Unlike other current air sampling methods, capture of particles is determined by charge and so is not controlled by particle mass. We analyzed particle sizes captured from air, without regard to specific analyte by atomic force microscopy: particles at least as low as 100 nM could be captured from ambient air. This work introduces a very simple plug-and-play device that can sample air at a high-volume flow rate with no moving parts and collect particles down to the sub-micron range. The performance of the device is substantially equivalent to capture by pumping through a filter for microbiome analysis by quantitative PCR and amplicon sequencing.

Stochastic simulation of enzyme-catalyzed reactions with disparate timescales.

PubMed

Barik, Debashis; Paul, Mark R; Baumann, William T; Cao, Yang; Tyson, John J

2008-10-01

Many physiological characteristics of living cells are regulated by protein interaction networks. Because the total numbers of these protein species can be small, molecular noise can have significant effects on the dynamical properties of a regulatory network. Computing these stochastic effects is made difficult by the large timescale separations typical of protein interactions (e.g., complex formation may occur in fractions of a second, whereas catalytic conversions may take minutes). Exact stochastic simulation may be very inefficient under these circumstances, and methods for speeding up the simulation without sacrificing accuracy have been widely studied. We show that the "total quasi-steady-state approximation" for enzyme-catalyzed reactions provides a useful framework for efficient and accurate stochastic simulations. The method is applied to three examples: a simple enzyme-catalyzed reaction where enzyme and substrate have comparable abundances, a Goldbeter-Koshland switch, where a kinase and phosphatase regulate the phosphorylation state of a common substrate, and coupled Goldbeter-Koshland switches that exhibit bistability. Simulations based on the total quasi-steady-state approximation accurately capture the steady-state probability distributions of all components of these reaction networks. In many respects, the approximation also faithfully reproduces time-dependent aspects of the fluctuations. The method is accurate even under conditions of poor timescale separation.

Neutron-capture cross-section measurements of 74Ge and 76Ge in the energy region 0.4-14.8 MeV for neutrinoless double β decay applications

NASA Astrophysics Data System (ADS)

Bhike, Megha; Tornow, Werner

2013-10-01

Fast neutron capture cross sections for the reactions 74Ge(n, γ)75Ge and 76Ge(n, γ)77Ge have been measured in the neutron energy region 0.4-14.8 MeV with the activation method. The results are important to identify backgrounds in the neutrinoless double- β decay experiments GERDA and MAJORANA, which use germanium as both source and detector. Isotopically enriched targets which consisted of 86% of 76Ge and 14% of 74Ge were irradiated with mono-energetic neutrons produced via 3H(p,n)3He, 2H(d,n)3He and 3H(d,n)4He reactions. The cross sections were determined relative to 197Au(n, γ)198Au, 115In(n,n')115mIn and 197Au(n,2n)196Au standard cross sections. The activities of the products were measured using high-resolution γ-ray spctroscopy. The present results are compared with the evaluated data from ENDF/B-VII.1 and TALYS.

Efficient Bioconjugation of Protein Capture Agents to Biosensor Surfaces Using Aniline-Catalyzed Hydrazone Ligation

PubMed Central

Byeon, Ji-Yeon; Limpoco, F. T.; Bailey, Ryan C.

2010-01-01

Aniline-catalyzed hydrazone ligation between surface immobilized hydrazines and aldehyde-modified antibodies is shown to be an efficient method for attaching protein capture agents to model oxide-coated biosensor substrates. Silicon photonic microring resonators are used to directly evaluate the efficiency of this surface bioconjugate reaction at various pHs and in the presence or absence of aniline as a nucleophilic catalyst. It is found that aniline significantly increases the net antibody loading for surfaces functionalized over a pH range from 4.5 to 7.4, allowing derivatization of substrates with reduced incubation time and sample consumption. This increase in antibody loading directly results in more sensitive antigen detection when functionalized microrings are employed in a label-free immunoassay. Furthermore, these experiments also reveal an interesting pH dependent non-covalent binding trend that plays an important role in dictating the amount of antibody attached onto the substrate, highlighting the competing contributions of the bioconjugate reaction rate and the dynamic interactions that control opportunities for a solution-phase biomolecule to react with a substrate-bound reagent. PMID:20809595

Complexes in the Photocatalytic Reaction of CO2 and H2O: Theoretical Studies

PubMed Central

Luo, Dongmei; Zhang, Ning; Hong, Sanguo; Wu, Huanwen; Liu, Zhihua

2010-01-01

Complexes (H2O/CO2, e–(H2O/CO2) and h+–(H2O/CO2)) in the reaction system of CO2 photoreduction with H2O were researched by B3LYP and MP2 methods along with natural bond orbital (NBO) analysis. Geometries of these complexes were optimized and frequencies analysis performed. H2O/CO2 captured photo-induced electron and hole produced e–(H2O/CO2) and h+–(H2O/CO2), respectively. The results revealed that CO2 and H2O molecules could be activated by the photo-induced electrons and holes, and each of these complexes possessed two isomers. Due to the effect of photo-induced electrons, the bond length of C=O and H-O were lengthened, while H-O bonds were shortened, influenced by holes. The infrared (IR) adsorption frequencies of these complexes were different from that of CO2 and H2O, which might be attributed to the synergistic effect and which could not be captured experimentally. PMID:21152274

Thyroid Reactions in Acute Experimental Conditions, as Investigated with the Help of Radioactive Iodine I$sup 13$$sup 1$; REACTIONS THYROIDIENNES DANS DES ETATS EXPERIMENTAUX AIGUS ETUDIEES A L'AIDE DE L'IODE RADIOACTIF I$sup 13$$sup 1$

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

Milcou, St.; Sahleanu, V.; Holban, R.

1959-10-31

The thyroid reactions were studied in control rats and guinea pigs and in animals receiving cortisone. The capture of I/sup 131/ by the thyroid was followed under experimenta1 conditions where the harmful agent used represented the microbic toxic component or the antigenic component. An increase in the rate of capture was noted after 24 hr in guinea pigs which had received diphtheria toxin, followed by a drop with finally a second increase. These results showed that there is a definite thyroid functional cycle in response to a toxic aggression. In the case of guinea pigs which were given cortisone atmore » the same time, no such drop was noted. This suggests that thyroid inactivation is connected to the proper functioning of the corticotropic axis and that ACTH release may modify the thyroid reactions. In the rats which were given mixed antithyroid-parathyroid vaccine subcutaneously, a significant drop in the rate of capture was noted. When associated with cortisone, this treatment raised the capture rate somewhat among the controls. This result also suggests that the inactivation of the thyroid in stress is mainly dependent on ACTH release and not on impregnation with the corticoids. (J.S.R.)« less

Proton Neutron Gamma-X Detection (PNGXD): An introduction to contrast agent detection during proton therapy via prompt gamma neutron activation

NASA Astrophysics Data System (ADS)

Gräfe, James L.

2017-09-01

Proton therapy is an alternative external beam cancer treatment modality to the conventional linear accelerator-based X-ray radiotherapy. An inherent by-product of proton-nuclear interactions is the production of secondary neutrons. These neutrons have long been thought of as a secondary contaminant, nuisance, and source of secondary cancer risk. In this paper, a method is proposed to use these neutrons to identify and localize the presence of the tumor through neutron capture reactions with the gadolinium-based MRI contrast agent. This could provide better confidence in tumor targeting by acting as an additional quality assurance tool of tumor position during treatment. This effectively results in a neutron induced nuclear medicine scan. Gadolinium (Gd), is an ideal candidate for this novel nuclear contrast imaging procedure due to its unique nuclear properties and its widespread use as a contrast agent in MRI. Gd has one of the largest thermal neutron capture cross sections of all the stable nuclides, and the gadolinium-based contrast agents localize in leaky tissues and tumors. Initial characteristics of this novel concept were explored using the Monte Carlo code MCNP6. The number of neutron capture reactions per Gy of proton dose was found to be approximately 50,000 neutron captures/Gy, for a 8 cm3 tumor containing 300 ppm Gd at 8 cm depth with a simple simulation designed to represent the active delivery method. Using the passive method it is estimated that this number can be up to an order of magnitude higher. The thermal neutron distribution was found to not be localized within the spread out Bragg peak (SOBP) for this geometrical configuration and therefore would not allow for the identification of a geometric miss of the tumor by the proton SOBP. However, this potential method combined with nuclear medicine imaging and fused with online CBCT and prior MRI or CT imaging could help to identify tumor position during treatment. More computational and experimental work are required to determine the feasibility of this new technique termed Proton Neutron Gamma-X Detection (PNGXD). The initial concept of this procedure is presented in this paper as well as future research directions.

Exploring Listeners' Real-Time Reactions to Regional Accents

ERIC Educational Resources Information Center

Watson, Kevin; Clark, Lynn

2015-01-01

Evaluative reactions to language stimuli are presumably dynamic events, constantly changing through time as the signal unfolds, yet the tools we usually use to capture these reactions provide us with only a snapshot of this process by recording reactions at a single point in time. This paper outlines and evaluates a new methodology which employs…

Alpha-capture reaction rates for 22 Ne (α , n) via sub-Coulomb alpha-transfer and its effect on final abundances of s-process isotopes

NASA Astrophysics Data System (ADS)

Jayatissa, Heshani; Rogachev, Grigory; Koshchiy, Yevgeny; Goldberg, Vladilen; Hooker, Joshua; Hunt, Curtis; Magana, Cordero; Roeder, Brian; Saastamoinen, Antti; Spiridon, Alexandria; Upadhyayula, Sriteja; Trippella, Oscar

2017-09-01

The 22 Ne (α , n) reaction is a very important neutron source reaction for the slow neutron capture process (s-process) in asymptotic giant branch stars. These direct measurements are very difficult to carry out at the energy regimes of interest for astrophysics (Gamow energies) due to the extremely small reaction cross section. The large uncertainties introduced when extrapolating direct measurements at high energies down to the Gamow energies can be overcome by measuring the Asymptotic Normalization Coefficients (ANC) of the relevant states using α-transfer reactions at sub-Coulomb energies to reduce the optical model dependence. The study of the 22Ne(6Li,d) and 22Ne(7Li,t) reaction was carried out at the Cyclotron Institute at Texas A&M University. The α-ANC measurements for the near α-threshold resonances of 26Mg provide constraints for the 22Ne(α,n) reaction rate. The effect of this reaction rate on the final abundances of the s-process isotopes will be discussed.

Natural Carbonation of Peridotite and Applications for Carbon Storage

NASA Astrophysics Data System (ADS)

Streit, E.; Kelemen, P.; Matter, J.

2009-05-01

Natural carbonation of peridotite in the Samail Ophiolite of Oman is surprisingly rapid and could be further enhanced to provide a safe, permanent method of CO2 storage through in situ formation of carbonate minerals. Carbonate veins form by low-temperature reaction between peridotite and groundwater in a shallow weathering horizon. Reaction with peridotite drives up the pH of the water, and extensive travertine terraces form where this groundwater emerges at the surface in alkaline springs. The potential sink for CO2 in peridotite is enormous: adding 1wt% CO2 to the peridotite in Oman could consume 1/4 of all atmospheric carbon, and several peridotite bodies of comparable size exist throughout the world. Thus carbonation rate and cost, not reservoir size, are the limiting factors on the usefulness of in situ mineral carbonation of peridotite for carbon storage. The carbonate veins in Oman are much younger than previously believed, yielding average 14C ages of 28,000 years. Age data plus estimated volumes of carbonate veins and terraces suggest 10,000 to 100,000 tons per year of CO2 are consumed by these peridotite weathering reactions in Oman. This rate can be enhanced by drilling, hydraulic fracture, injecting CO2-rich fluid, and increasing reaction temperature. Drilling and hydraulic fracture can increase volume of peridotite available for reaction. Additional fracture may occur due to the solid volume increase of the carbonation reaction, and field observations suggest that such reaction-assisted fracture may be responsible for hierarchical carbonate vein networks in peridotite. Natural carbonation of peridotite in Oman occurs at low pCO2, resulting in partial carbonation of peridotite, forming magnesite and serpentine. Raising pCO2 increases carbonation efficiency, forming of magnesite + talc, or at complete carbonation, magnesite + quartz, allowing ˜30wt% CO2 to be added to the peridotite. Increasing the temperature to 185°C can improve the reaction rate by a factor of more than 100,000. Thermal modeling suggests that after an initial heating stage, CO2-rich fluids injected at relatively low temperature can be heated by exothermic carbonation reactions, offsetting diffusive heat loss to maintain optimal temperatures for rapid carbonation without additional energy input. With these enhancements, in situ carbonation could consume more than 1 billion tons of CO2 per cubic kilometer of peridotite per year. Costs associated with this method include drilling, hydraulic fracture, initial heating, CO2 capture and transport, fluid injection and monitoring. The techniques for drilling, fracture and injection are routinely used by oil companies. Compared with other carbon storage methods, in situ mineral carbonation has several advantages. It offers permanent storage that is safer and easier to monitor than storage of CO2-rich fluids in porous underground reservoirs or in the ocean. It may also be less costly than ex situ mineral carbonation, which requires quarrying and transportation of peridotite, grinding and heat treatment, reactions in pressure vessels at elevated temperature, production of catalysts, and disposal of carbonated material. An alternative method, carbonation by reaction of offshore peridotite with shallow seawater rather than CO2-rich fluids, would consume less CO2, but would avoid the costs of CO2 capture and transport inherent in other CCS methods. Drilling to depths where rocks are already close to the optimal carbonation temperature would avoid pre-heating costs and circulate water by thermal convection rather than pumping fluids.

Substrate-Coated Illumination Droplet Spray Ionization: Real-Time Monitoring of Photocatalytic Reactions

NASA Astrophysics Data System (ADS)

Zhang, Hong; Li, Na; Zhao, Dandan; Jiang, Jie; You, Hong

2017-09-01

Real-time monitoring of photocatalytic reactions facilitates the elucidation of the mechanisms of the reactions. However, suitable tools for real-time monitoring are lacking. Herein, a novel method based on droplet spray ionization named substrate-coated illumination droplet spray ionization (SCI-DSI) for direct analysis of photocatalytic reaction solution is reported. SCI-DSI addresses many of the analytical limitations of electrospray ionization (ESI) for analysis of photocatalytic-reaction intermediates, and has potential for both in situ analysis and real-time monitoring of photocatalytic reactions. In SCI-DSI-mass spectrometry (MS), a photocatalytic reaction occurs by loading sample solutions onto the substrate-coated cover slip and by applying UV light above the modified slip; one corner of this slip adjacent to the inlet of a mass spectrometer is the high-electric-field location for launching a charged-droplet spray. After both testing and optimizing the performance of SCI-DSI, the value of this method for in situ analysis and real-time monitoring of photocatalytic reactions was demonstrated by the removal of cyclophosphamide (CP) in TiO2/UV. Reaction times ranged from seconds to minutes, and the proposed reaction intermediates were captured and identified by tandem mass spectrometry. Moreover, the free hydroxyl radical (·OH) was identified as the main radicals for CP removal. These results show that SCI-DSI is suitable for in situ analysis and real-time monitoring of CP removal under TiO2-based photocatalytic reactions. SCI-DSI is also a potential tool for in situ analysis and real-time assessment of the roles of radicals during CP removal under TiO2-based photocatalytic reactions. Graphical Abstract[Figure not available: see fulltext.

A measurement model for general noise reaction in response to aircraft noise.

PubMed

Kroesen, Maarten; Schreckenberg, Dirk

2011-01-01

In this paper a measurement model for general noise reaction (GNR) in response to aircraft noise is developed to assess the performance of aircraft noise annoyance and a direct measure of general reaction as indicators of this concept. For this purpose GNR is conceptualized as a superordinate latent construct underlying particular manifestations. This conceptualization is empirically tested through estimation of a second-order factor model. Data from a community survey at Frankfurt Airport are used for this purpose (N=2206). The data fit the hypothesized factor structure well and support the conceptualization of GNR as a superordinate construct. It is concluded that noise annoyance and a direct measure of general reaction to noise capture a large part of the negative feelings and emotions in response to aircraft noise but are unable to capture all relevant variance. The paper concludes with recommendations for the valid measurement of community reaction and several directions for further research.

Simultaneous removal of SO2 and trace As2O3 from flue gas: mechanism, kinetics study, and effect of main gases on arsenic capture.

PubMed

Li, Yuzhong; Tong, Huiling; Zhuo, Yuqun; Li, Yan; Xu, Xuchang

2007-04-15

Sulfur dioxide (SO2) and trace elements are pollutants derived from coal combustion. This study focuses on the simultaneous removal of S02 and trace arsenic oxide (As2O3) from flue gas by calcium oxide (CaO) adsorption in the moderate temperature range. Experiments have been performed on a thermogravimetric analyzer (TGA). The interaction mechanism between As2O3 and CaO is studied via XRD detection. Calcium arsenate [Ca3(AsO4)2] is found to be the reaction product in the range of 600-1000 degrees C. The ability of CaO to absorb As2O3 increases with the increasing temperature over the range of 400-1000 degrees C. Through kinetics analysis, it has been found that the rate constant of arsenate reaction is much higher than that of sulfate reaction. SO2 presence does not affect the trace arsenic capture either in the initial reaction stage when CaO conversion is relatively low or in the later stage when CaO conversion is very high. The product of sulfate reaction, CaS04, is proven to be able to absorb As2O3. The coexisting CO2 does not weaken the trace arsenic capture either.

Measurement of 1323 and 1487 keV resonances in 15N(α ,γ )19F with the recoil separator ERNA

NASA Astrophysics Data System (ADS)

Di Leva, A.; Imbriani, G.; Buompane, R.; Gialanella, L.; Best, A.; Cristallo, S.; De Cesare, M.; D'Onofrio, A.; Duarte, J. G.; Gasques, L. R.; Morales-Gallegos, L.; Pezzella, A.; Porzio, G.; Rapagnani, D.; Roca, V.; Romoli, M.; Schürmann, D.; Straniero, O.; Terrasi, F.; ERNA Collaboration

2017-04-01

Background: The origin of fluorine is a widely debated issue. Nevertheless, the 15N(α ,γ )19F reaction is a common feature among the various production channels so far proposed. Its reaction rate at relevant temperatures is determined by a number of narrow resonances together with the direct capture and the tails of the two broad resonances at Ec .m .=1323 and 1487 keV. Purpose: The broad resonances widths, Γγ and Γα, have to be measured with adequate precision in order to better determine their contribution to the 15N(α ,γ )19F stellar reaction rate. Methods: Measurement through the direct detection of the 19F recoil ions with the European Recoil separator for Nuclear Astrophysics (ERNA) were performed. The reaction was initiated by a 15N beam impinging onto a 4He windowless gas target. The observed yield of the resonances at Ec .m .=1323 and 1487 keV is used to determine their widths in the α and γ channels. Results: We show that a direct measurement of the cross section of the 15N(α ,γ )19F reaction can be successfully obtained with the recoil separator ERNA, and the widths Γγ and Γα of the two broad resonances have been determined. While a fair agreement is found with earlier determination of the widths of the 1487 keV resonance, a significant difference is found for the 1323 keV resonance Γα. Conclusions: The revision of the widths of the two more relevant broad resonances in the 15N(α ,γ )19F reaction presented in this work is the first step toward a more firm determination of the reaction rate. At present, the residual uncertainty at the temperatures of the 19F stellar nucleosynthesis is dominated by the uncertainties affecting the direct capture component and the 364 keV narrow resonance, both so far investigated only through indirect experiments.

An efficient unstructured WENO method for supersonic reactive flows

NASA Astrophysics Data System (ADS)

Zhao, Wen-Geng; Zheng, Hong-Wei; Liu, Feng-Jun; Shi, Xiao-Tian; Gao, Jun; Hu, Ning; Lv, Meng; Chen, Si-Cong; Zhao, Hong-Da

2018-03-01

An efficient high-order numerical method for supersonic reactive flows is proposed in this article. The reactive source term and convection term are solved separately by splitting scheme. In the reaction step, an adaptive time-step method is presented, which can improve the efficiency greatly. In the convection step, a third-order accurate weighted essentially non-oscillatory (WENO) method is adopted to reconstruct the solution in the unstructured grids. Numerical results show that our new method can capture the correct propagation speed of the detonation wave exactly even in coarse grids, while high order accuracy can be achieved in the smooth region. In addition, the proposed adaptive splitting method can reduce the computational cost greatly compared with the traditional splitting method.

Modern alchemy: Fred Hoyle and element building by neutron capture

NASA Astrophysics Data System (ADS)

Burbidge, E. Margaret

Fred Hoyle's fundamental work on building the chemical elements by nuclear processes in stars at various stages in their lives began with the building of elements around iron in the very dense hot interiors of stars. Later, in the paper by Burbidge, Burbidge, Fowler and Hoyle, we four showed that Hoyle's "equilibrium process" is one of eight processes required to make all of the isotopes of all the elements detected in the Sun and stars. Neutron capture reactions, which Fred had not considered in his epochal 1946 paper, but for which experimental data were just becoming available in 1957, are very important, in addition to the energy-generating reactions involving hydrogen, helium, carbon, nitrogen and oxygen, for building all of the elements. They are now providing clues to the late stages of stellar evolution and the earliest history of our Galaxy. I describe here our earliest observational work on neutron capture processes in evolved stars, some new work on stars showing the results of the neutron capture reactions, and data relating to processes ending in the production of lead, and I discuss where this fits into the history of stars in our own Galaxy.

Fast and selective determination of total protein in milk powder via titration of moving reaction boundary electrophoresis.

PubMed

Guo, Cheng-ye; Wang, Hou-yu; Liu, Xiao-ping; Fan, Liu-yin; Zhang, Lei; Cao, Cheng-xi

2013-05-01

In this paper, moving reaction boundary titration (MRBT) was developed for rapid and accurate quantification of total protein in infant milk powder, from the concept of moving reaction boundary (MRB) electrophoresis. In the method, the MRB was formed by the hydroxide ions and the acidic residues of milk proteins immobilized via cross-linked polyacrylamide gel (PAG), an acid-base indicator was used to denote the boundary motion. As a proof of concept, we chose five brands of infant milk powders to study the feasibility of MRBT method. The calibration curve of MRB velocity versus logarithmic total protein content of infant milk powder sample was established based on the visual signal of MRB motion as a function of logarithmic milk protein content. Weak influence of nonprotein nitrogen (NPN) reagents (e.g., melamine and urea) on MRBT method was observed, due to the fact that MRB was formed with hydroxide ions and the acidic residues of captured milk proteins, rather than the alkaline residues or the NPN reagents added. The total protein contents in infant milk powder samples detected via the MRBT method were in good agreement with those achieved by the classic Kjeldahl method. In addition, the developed method had much faster measuring speed compared with the Kjeldahl method. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Peripheral elastic and inelastic scattering of O17,18 on light targets at 12 MeV/nucleon

NASA Astrophysics Data System (ADS)

Al-Abdullah, T.; Carstoiu, F.; Gagliardi, C. A.; Tabacaru, G.; Trache, L.; Tribble, R. E.

2014-06-01

A study of interaction of neutron-rich oxygen isotopes O17,18 with light targets has been undertaken in order to determine the optical potentials needed for the transfer reaction C13(O17,O18)C12. Optical potentials in both incoming and outgoing channels have been determined in a single experiment. This transfer reaction was used to infer the direct capture rate to the F17(p,γ)Ne18 which is essential to estimate the production of F18 at stellar energies in ONe novae. The success of the asymptotic normalization coefficient (ANC) as indirect method for astrophysics is guaranteed if the reaction mechanism is peripheral and the distorted wave Born approximation cross-section calculations are warranted and stable against the optical model potential (OMP) used. We demonstrate the stability of the ANC method and the OMP results by using good-quality elastic and inelastic-scattering data with stable beams before extending the procedures to rare-ion beams. The peripherality of our reaction is inferred from a semiclassical decomposition of the total-scattering amplitude into barrier and internal barrier components. Comparison between elastic scattering of O17, O18, and O16 projectiles is made.

Process development for production of coal/sorbent agglomerates. Final technical report, September 1, 1990--August 31, 1991

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

Rapp, D.M.

1991-12-31

The goal of this work was to develop a process flow diagram to economically produce a clean-burning fuel from fine Illinois coal. To accomplish this, the process of pelletizing fine coal with calcium hydroxide, a sulfur capturing sorbent, was investigated. Carbonation, which is the reaction of calcium hydroxide with carbon dioxide (in the presence of moisture) to produce a bonding matrix of calcium carbonate, was investigated as a method for improving pellet quality and reducing binder costs. Proper moisture level is critical to allow the reaction to occur. If too much moisture is present in a pellet, the pore spacesmore » are filled and carbon dioxide must diffuse through the water to reach the calcium hydroxide and react. This severely slows or stops the reaction. The ideal situation is when there is just enough moisture to coat the calcium hydroxide allowing for the reaction to proceed. The process has been successfully demonstrated on a pilot-scale as a method of hardening iron ore pellets (Imperato, 1966). Two potential combustion options are being considered for the coal/calcium hydroxide pellets: fluidized bed combustors and industrial stoker boilers.« less

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

NASA Astrophysics Data System (ADS)

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-01

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in irradiated materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1.0a0 to 3.3a0 have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomic level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a0 by taking the average of the recombination distances from 80 simulation cases. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.

Test of 4-body Theory via Polarized p-T Capture Below 80 keV

NASA Astrophysics Data System (ADS)

Canon, R. S.; Gaff, S. J.; Kelley, J. H.; Schreiber, E. C.; Weller, H. R.; Wulf, E. A.; Prior, R. M.; Spraker, M.; Tilley, D. R.

1998-10-01

Our previous study of polarized p-d capture at energies below 80 keV revealed the major role played by MEC effects and provided a clean testing ground for state-of-the-art 3-body theory (the ``Ay puzzle'' remains)(G. Schmid et al); PRL 76, 3088(1996); PRC 56, 2565(1997). Four-body theory is on the threshold(A. Fonseca,W. Glöckle,A. Kievsky,H. Witala;Private communication) of being able to make similar ab-initio predictions. The p-T capture reaction is expected to exhibit strong MEC effects at very low energies for reasons similar to those in p-d capture. Preliminary results indicate finite values of A_y(90^circ) in the 50-80 keV region. These results will be discussed with respect to their implications on the M1 strength present in this reaction. Plans for future measurements and analysis will also be described.

A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction.

PubMed

Suleimanov, Yury V; de Tudela, Ricardo Pérez; Jambrina, Pablo G; Castillo, Jesús F; Sáez-Rábanos, Vicente; Manolopoulos, David E; Aoiz, F Javier

2013-03-14

The inclusion of Quantum Mechanical (QM) effects such as zero point energy (ZPE) and tunneling in simulations of chemical reactions, especially in the case of light atom transfer, is an important problem in computational chemistry. In this respect, the hydrogen exchange reaction and its isotopic variants constitute an excellent benchmark for the assessment of approximate QM methods. In particular, the recently developed ring polymer molecular dynamics (RPMD) technique has been demonstrated to give very good results for bimolecular chemical reactions in the gas phase. In this work, we have performed a detailed RPMD study of the H + H(2) reaction and its isotopologues Mu + H(2), D + H(2) and Heμ + H(2), at temperatures ranging from 200 to 1000 K. Thermal rate coefficients and kinetic isotope effects have been computed and compared with exact QM calculations as well as with quasiclassical trajectories and experiment. The agreement with the QM results is good for the heaviest isotopologues, with errors ranging from 15% to 45%, and excellent for Mu + H(2), with errors below 15%. We have seen that RPMD is able to capture the ZPE effect very accurately, a desirable feature of any method based on molecular dynamics. We have also verified Richardson and Althorpe's prediction [J. O. Richardson and S. C. Althorpe, J. Chem. Phys., 2009, 131, 214106] that RPMD will overestimate thermal rates for asymmetric reactions and underestimate them for symmetric reactions in the deep tunneling regime. The ZPE effect along the reaction coordinate must be taken into account when assigning the reaction symmetry in the multidimensional case.

An Integrated, Low Temperature Process to Capture and Sequester Carbon Dioxide from Industrial Emissions

NASA Astrophysics Data System (ADS)

Wendlandt, R. F.; Foremski, J. J.

2013-12-01

Laboratory experiments show that it is possible to integrate (1) the chemistry of serpentine dissolution, (2) capture of CO2 gas from the combustion of natural gas and coal-fired power plants using aqueous amine-based solvents, (3) long-term CO2 sequestration via solid phase carbonate precipitation, and (4) capture solvent regeneration with acid recycling in a single, continuous process. In our process, magnesium is released from serpentine at 300°C via heat treatment with ammonium sulfate salts or at temperatures as low as 50°C via reaction with sulfuric acid. We have also demonstrated that various solid carbonate phases can be precipitated directly from aqueous amine-based (NH3, MEA, DMEA) CO2 capture solvent solutions at room temperature. Direct precipitation from the capture solvent enables regenerating CO2 capture solvent without the need for heat and without the need to compress the CO2 off gas. We propose that known low-temperature electrochemical methods can be integrated with this process to regenerate the aqueous amine capture solvent and recycle acid for dissolution of magnesium-bearing mineral feedstocks and magnesium release. Although the direct precipitation of magnesite at ambient conditions remains elusive, experimental results demonstrate that at temperatures ranging from 20°C to 60°C, either nesquehonite Mg(HCO3)(OH)●2H2O or a double salt with the formula [NH4]2Mg(CO3)2●4H2O or an amorphous magnesium carbonate precipitate directly from the capture solvent. These phases are less desirable for CO2 sequestration than magnesite because they potentially remove constituents (water, ammonia) from the reaction system, reducing the overall efficiency of the sequestration process. Accordingly, the integrated process can be accomplished with minimal energy consumption and loss of CO2 capture and acid solvents, and a net generation of 1 to 4 moles of H2O/6 moles of CO2 sequestered (depending on the solid carbonate precipitate and amount of produced H2 and O2 gas reacted to produce heat and water). Features of the integrated process include the following: 1) the four separate processes have compatible chemistry, enabling design of an integrated, continuous process scheme for CO2 capture and sequestration; 2) all 4 stages of the process can be conducted at ambient or slightly elevated temperatures; 3) precipitating carbonate directly from the capture solvent eliminates the need for costly CO2 gas compression; and 4) recycling the acid used for serpentine dissolution and the solvent used for CO2 capture reduces feed stock costs.

New Class of Hybrid Materials for Detection, Capture, and "On-Demand" Release of Carbon Monoxide.

PubMed

Pitto-Barry, Anaïs; Lupan, Alexandru; Ellingford, Christopher; Attia, Amr A A; Barry, Nicolas P E

2018-04-25

Carbon monoxide (CO) is both a substance hazardous to health and a side product of a number of industrial processes, such as methanol steam reforming and large-scale oxidation reactions. The separation of CO from nitrogen (N 2 ) in industrial processes is considered to be difficult because of the similarities of their electronic structures, sizes, and physicochemical properties (e.g., boiling points). Carbon monoxide is also a major poison in fuel cells because of its adsorption onto the active sites of the catalysts. It is therefore of the utmost economic importance to discover new materials that enable effective CO capture and release under mild conditions. However, methods to specifically absorb and easily release CO in the presence of contaminants, such as water, nitrogen, carbon dioxide, and oxygen, at ambient temperature are not available. Here, we report the simple and versatile fabrication of a new class of hybrid materials that allows capture and release of carbon monoxide under mild conditions. We found that carborane-containing metal complexes encapsulated in networks made of poly(dimethylsiloxane) react with CO, even when immersed in water, leading to dramatic color and infrared signature changes. Furthermore, we found that the CO can be easily released from the materials by simply dipping the networks into an organic solvent for less than 1 min, at ambient temperature and pressure, which not only offers a straightforward recycling method, but also a new method for the "on-demand" release of carbon monoxide. We illustrated the utilization of the on-demand release of CO from the networks by carrying out a carbonylation reaction on an electron-deficient metal complex that led to the formation of the CO-adduct, with concomitant recycling of the gel. We anticipate that our sponge-like materials and scalable methodology will open up new avenues for the storage, transport, and controlled release of CO, the silent killer and a major industrial poison.

Polymer-silica hybrids for separation of CO2 and catalysis of organic reactions

NASA Astrophysics Data System (ADS)

Silva Mojica, Ernesto

Porous materials comprising polymeric and inorganic segments have attracted interest from the scientific community due to their unique properties and functionalities. The physical and chemical characteristics of these materials can be effectively exploited for adsorption applications. This dissertation covers the experimental techniques for fabrication of poly(vinyl alcohol) (PVA) and silica (SiO2) porous supports, and their functionalization with polyamines for developing adsorbents with potential applications in separation of CO2 and catalysis of organic reactions. The supports were synthesized by processes involving (i) covalent cross-linking of PVA, (ii) hydrolysis and poly-condensation of silica precursors (i,e,. sol-gel synthesis), and formation of porous structures via (iii) direct templating and (iv) phase inversion techniques. Their physical structure was controlled by the proper combination of the preparation procedures, which resulted in micro-structured porous materials in the form of micro-particles, membranes, and pellets. Their adsorption characteristics were tailored by functionalization with polyethyleneimine (PEI), and their physicochemical properties were characterized by vibrational spectroscopy (FTIR, UV-vis), microscopy (SEM), calorimetry (TGA, DSC), and adsorption techniques (BET, step-switch adsorption). Spectroscopic investigations of the interfacial cross-linking reactions of PEI and PVA with glutaraldehyde (GA) revealed that PEI catalyzes the cross-linking reactions of PVA in absence of external acid catalysts. In-situ IR spectroscopy coupled with a focal plane array (FPA) image detector allowed the characterization of a gradient interface on a PEI/PVA composite membrane and the investigation of the cross-linking reactions as a function of time and position. The results served as a basis to postulate possible intermediates, and propose the reaction mechanisms. The formulation of amine-functionalized CO2 capture sorbents was based on the spectroscopic investigation of the interactions of CO 2 with amine molecules under simulated CO2 capture conditions. Industrial CO2 capture processes involve fluidization and require degradation-resistant sorbents in the form of pellets. Agglomeration of silica-based CO2 capture sorbents involved the formulation of a polymer binder solution and the design of a scalable pelletization process. The characterization of these pellets revealed the formation of a CO 2-permeable polymer-silica network, which is resistant to attrition, and exhibits similar CO2 capture and degradation performance as the non-pelletized sorbents. The performance of these sorbents and pellets was tested in lab-scale and bench-scale adsorption units, using in-house fabricated fixed-bed and fluidized-bed reactors. A compartmental modeling technique was used to simulate the CO2 adsorption process and to elucidate the kinetic and thermodynamic parameters that impact the commercial viability of emerging CO2 capture technologies. The fundamental concepts and experimental techniques developed for the preparation of CO2 capture sorbents served as a basis for fabricating amine-functionalized polymer-silica hybrids for applications in catalysis of organic reactions. (i) Basic catalysts for carbon-carbon addition reactions were prepared by immobilization of amine molecules on silica supports. The activity of these catalysts and the mechanisms of base-catalyzed organic condensation reactions were investigated by an in-situ FTIR micro-scale reactor. (ii) Particle-loaded PVA composite membranes were selected for immobilization of glucose oxidase (GOx). GOx was immobilized by adsorption at pH values between 3.5 and 7.1. The results showed that adsorption was primarily achieved via hydrophobic interactions, and that PVA membranes loaded with amine-functionalized particles could help retain the activity of immobilized GOx by providing a proper hydrophilic/hydrophobic balance to the immobilized enzymes micro-environment.

Dramatic Increase in the Signal and Sensitivity of Detection via Self-Assembly of Branched DNA

PubMed Central

Kim, Kyung-Tae; Chae, Chi-Bom

2011-01-01

In molecular testing using PCR, the target DNA is amplified via PCR and the sequence of interest is investigated via hybridization with short oligonucleotide capture probes that are either in a solution or immobilized on solid supports such as beads or glass slides. In this report, we report the discovery of assembly of DNA complex(es) between a capture probe and multiple strands of the PCR product. The DNA complex most likely has branched structure. The assembly of branched DNA was facilitated by the product of asymmetric PCR. The amount of branched DNA assembled was increased five fold when the asymmetric PCR product was denatured and hybridized with a capture probe all in the same PCR reaction mixture. The major branched DNA species appeared to contain three reverse strands (the strand complementary to the capture probe) and two forward strands. The DNA was sensitive to S1 nuclease suggesting that it had single-stranded gaps. Branched DNA also appeared to be assembled with the capture probes immobilized on the surface of solid support when the product of asymmetric PCR was hybridized. Assembly of the branched DNA was also increased when hybridization was performed in complete PCR reaction mixture suggesting the requirement of DNA synthesis. Integration of asymmetric PCR, heat denaturation and hybridization in the same PCR reaction mixture with the capture probes immobilized on the surface of solid support achieved dramatic increase in the signal and sensitivity of detection of DNA. Such a system should be advantageously applied for development of automated process for detection of DNA. PMID:21870112

Ab initio thermodynamic approach to identify mixed solid sorbents for CO 2 capture technology

DOE PAGES

Duan, Yuhua

2015-10-15

Because the current technologies for capturing CO 2 are still too energy intensive, new materials must be developed that can capture CO 2 reversibly with acceptable energy costs. At a given CO 2 pressure, the turnover temperature (T t) of the reaction of an individual solid that can capture CO 2 is fixed. Such T t may be outside the operating temperature range (ΔT o) for a practical capture technology. To adjust T t to fit the practical ΔT o, in this study, three scenarios of mixing schemes are explored by combining thermodynamic database mining with first principles density functionalmore » theory and phonon lattice dynamics calculations. Our calculated results demonstrate that by mixing different types of solids, it’s possible to shift T t to the range of practical operating temperature conditions. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO 2 capture reactions by the mixed solids of interest, we were able to identify the mixing ratios of two or more solids to form new sorbent materials for which lower capture energy costs are expected at the desired pressure and temperature conditions.« less

Squiggle Ball Capture: A Simple, Visual Kinetic Theory Experiment

ERIC Educational Resources Information Center

Gfroerer, Tim; Rathbun, Ken

2007-01-01

When particles move about randomly in the presence of traps, how long does it take for them to be captured? Well, it depends on the average speed of the particles and the dimensions and distribution of the traps. For example, when neutrons are generated in nuclear fission reactions, they must be captured by other fissionable nuclei in order to…

High-order shock-fitted detonation propagation in high explosives

NASA Astrophysics Data System (ADS)

Romick, Christopher M.; Aslam, Tariq D.

2017-03-01

A highly accurate numerical shock and material interface fitting scheme composed of fifth-order spatial and third- or fifth-order temporal discretizations is applied to the two-dimensional reactive Euler equations in both slab and axisymmetric geometries. High rates of convergence are not typically possible with shock-capturing methods as the Taylor series analysis breaks down in the vicinity of discontinuities. Furthermore, for typical high explosive (HE) simulations, the effects of material interfaces at the charge boundary can also cause significant computational errors. Fitting a computational boundary to both the shock front and material interface (i.e. streamline) alleviates the computational errors associated with captured shocks and thus opens up the possibility of high rates of convergence for multi-dimensional shock and detonation flows. Several verification tests, including a Sedov blast wave, a Zel'dovich-von Neumann-Döring (ZND) detonation wave, and Taylor-Maccoll supersonic flow over a cone, are utilized to demonstrate high rates of convergence to nontrivial shock and reaction flows. Comparisons to previously published shock-capturing multi-dimensional detonations in a polytropic fluid with a constant adiabatic exponent (PF-CAE) are made, demonstrating significantly lower computational error for the present shock and material interface fitting method. For an error on the order of 10 m /s, which is similar to that observed in experiments, shock-fitting offers a computational savings on the order of 1000. In addition, the behavior of the detonation phase speed is examined for several slab widths to evaluate the detonation performance of PBX 9501 while utilizing the Wescott-Stewart-Davis (WSD) model, which is commonly used in HE modeling. It is found that the thickness effect curve resulting from this equation of state and reaction model using published values is dramatically more steep than observed in recent experiments. Utilizing the present fitting strategy, in conjunction with a nonlinear optimizer, a new set of reaction rate parameters improves the correlation of the model to experimental results. Finally, this new model is tested against two dimensional slabs as a validation test.

A simulation test of the effectiveness of several methods for error-checking non-invasive genetic data

USGS Publications Warehouse

Roon, David A.; Waits, L.P.; Kendall, K.C.

2005-01-01

Non-invasive genetic sampling (NGS) is becoming a popular tool for population estimation. However, multiple NGS studies have demonstrated that polymerase chain reaction (PCR) genotyping errors can bias demographic estimates. These errors can be detected by comprehensive data filters such as the multiple-tubes approach, but this approach is expensive and time consuming as it requires three to eight PCR replicates per locus. Thus, researchers have attempted to correct PCR errors in NGS datasets using non-comprehensive error checking methods, but these approaches have not been evaluated for reliability. We simulated NGS studies with and without PCR error and 'filtered' datasets using non-comprehensive approaches derived from published studies and calculated mark-recapture estimates using CAPTURE. In the absence of data-filtering, simulated error resulted in serious inflations in CAPTURE estimates; some estimates exceeded N by ??? 200%. When data filters were used, CAPTURE estimate reliability varied with per-locus error (E??). At E?? = 0.01, CAPTURE estimates from filtered data displayed < 5% deviance from error-free estimates. When E?? was 0.05 or 0.09, some CAPTURE estimates from filtered data displayed biases in excess of 10%. Biases were positive at high sampling intensities; negative biases were observed at low sampling intensities. We caution researchers against using non-comprehensive data filters in NGS studies, unless they can achieve baseline per-locus error rates below 0.05 and, ideally, near 0.01. However, we suggest that data filters can be combined with careful technique and thoughtful NGS study design to yield accurate demographic information. ?? 2005 The Zoological Society of London.

Development of a low-cost detection method for miRNA microarray.

PubMed

Li, Wei; Zhao, Botao; Jin, Youxin; Ruan, Kangcheng

2010-04-01

MicroRNA (miRNA) microarray is a powerful tool to explore the expression profiling of miRNA. The current detection method used in miRNA microarray is mainly fluorescence based, which usually requires costly detection system such as laser confocal scanner of tens of thousands of dollars. Recently, we developed a low-cost yet sensitive detection method for miRNA microarray based on enzyme-linked assay. In this approach, the biotinylated miRNAs were captured by the corresponding oligonucleotide probes immobilized on microarray slide; and then the biotinylated miRNAs would capture streptavidin-conjugated alkaline phosphatase. A purple-black precipitation on each biotinylated miRNA spot was produced by the enzyme catalytic reaction. It could be easily detected by a charge-coupled device digital camera mounted on a microscope, which lowers the detection cost more than 100 fold compared with that of fluorescence method. Our data showed that signal intensity of the spot correlates well with the biotinylated miRNA concentration and the detection limit for miRNAs is at least 0.4 fmol and the detection dynamic range spans about 2.5 orders of magnitude, which is comparable to that of fluorescence method.

Catalytic, Enantioselective, Intramolecular Sulfenofunctionalization of Alkenes with Phenols

PubMed Central

2017-01-01

The catalytic, enantioselective, cyclization of phenols with electrophilic sulfenophthalimides onto isolated or conjugated alkenes affords 2,3-disubstituted benzopyrans and benzoxepins. The reaction is catalyzed by a BINAM-based phosphoramide Lewis base catalyst which assists in the highly enantioselective formation of a thiiranium ion intermediate. The influence of nucleophile electron density, alkene substitution pattern, tether length and Lewis base functional groups on the rate, enantio- and site-selectivity for the cyclization is investigated. The reaction is not affected by the presence of substituents on the phenol ring. In contrast, substitutions around the alkene strongly affect the reaction outcome. Sequential lengthening of the tether results in decreased reactivity, which necessitated increased temperatures for reaction to occur. Sterically bulky aryl groups on the sulfenyl moiety prevented erosion of enantiomeric composition at these elevated temperatures. Alcohols and carboxylic acids preferentially captured thiiranium ions in competition with phenolic hydroxyl groups. An improved method for the selective C(2) allylation of phenols is also described. PMID:28257203

Long Term Degradation of Resin for High Temperature Composites

NASA Technical Reports Server (NTRS)

Patekar, Kaustubh A.

2000-01-01

The durability of polymer matrix composites exposed to harsh environments is a major concern. Surface degradation and damage are observed in polyimide composites used in air at 125 to 300 C. It is believed that diffusion of oxygen into the material and oxidative chemical reactions in the matrix are responsible. Previous work has characterized and modeled diffusion behavior, and thermogravimetric analyses (TGAs) have been carried out in nitrogen, air, and oxygen to provide quantitative information on thermal and oxidative reactions. However, the model developed using these data was not able to capture behavior seen in isothermal tests, especially those of long duration. A test program that focuses on lower temperatures and makes use of isothermal tests was undertaken to achieve a better understanding of the degradation reactions under use conditions. A new low-cost technique was developed to collect chemical degradation data for isothermal tests lasting over 200 hr in the temperature range 125 to 300 C. Results indicate complex behavior not captured by the previous TGA tests, including the presence of weight-adding reactions. Weight gain reactions dominated in the 125 to 225 C temperature range, while weight loss reactions dominated beyond 225 C. The data obtained from isothermal tests was used to develop a new model of the material behavior. This model was able to fully capture the behavior seen in the tests up to 275 C. Correlation of the current model with both isothermal data at 300 C and high rate TGA test data is mediocre. At 300 C and above, the reaction mechanisms appear to change. Attempts (which failed) to measure non-oxidative degradation indicate that oxidative reactions dominate the degradation at low temperatures. Based on this work, long term isothermal testing in an oxidative atmosphere is recommended for studying the degradation behavior of this class of materials.

Low temperature oxidation using support molten salt catalysts

DOEpatents

Weimer, Alan W.; Czerpak, Peter J.; Hilbert, Patrick M.

2003-05-20

Molten salt reactions are performed by supporting the molten salt on a particulate support and forming a fluidized bed of the supported salt particles. The method is particularly suitable for combusting hydrocarbon fuels at reduced temperatures, so that the formation NO.sub.x species is reduced. When certain preferred salts are used, such as alkali metal carbonates, sulfur and halide species can be captured by the molten salt, thereby reducing SO.sub.x and HCl emissions.

Comparison of Protein Immunoprecipitation-Multiple Reaction Monitoring with ELISA for Assay of Biomarker Candidates in Plasma

PubMed Central

2013-01-01

Quantitative analysis of protein biomarkers in plasma is typically done by ELISA, but this method is limited by the availability of high-quality antibodies. An alternative approach is protein immunoprecipitation combined with multiple reaction monitoring mass spectrometry (IP-MRM). We compared IP-MRM to ELISA for the analysis of six colon cancer biomarker candidates (metalloproteinase inhibitor 1 (TIMP1), cartilage oligomeric matrix protein (COMP), thrombospondin-2 (THBS2), endoglin (ENG), mesothelin (MSLN) and matrix metalloproteinase-9 (MMP9)) in plasma from colon cancer patients and noncancer controls. Proteins were analyzed by multiplex immunoprecipitation from plasma with the ELISA capture antibodies, further purified by SDS-PAGE, digested and analyzed by stable isotope dilution MRM. IP-MRM provided linear responses (r = 0.978–0.995) between 10 and 640 ng/mL for the target proteins spiked into a “mock plasma” matrix consisting of 60 mg/mL bovine serum albumin. Measurement variation (coefficient of variation at the limit of detection) for IP-MRM assays ranged from 2.3 to 19%, which was similar to variation for ELISAs of the same samples. IP-MRM and ELISA measurements for all target proteins except ENG were highly correlated (r = 0.67–0.97). IP-MRM with high-quality capture antibodies thus provides an effective alternative method to ELISA for protein quantitation in biological fluids. PMID:24224610

The 10B(p,α)7Be S(E)-factor from 5 keV to 1.5 MeV using the Trojan Horse Method

NASA Astrophysics Data System (ADS)

Puglia, Sebastiana Maria Regina; Spitaleri, Claudio; La Cognata, Marco; Lamia, Livio; Broggini, Carlo; Caciolli, Antonio; Carlin, Nelson; Cherubini, Silvio; Cvetinovic, Alexandra; D'Agata, Giuseppe; Dell'aquila, Daniele; Depalo, Rosanna; Gulino, Marisa; Guardo, Giovanni Luca; Indelicato, Iolanda; Lombardo, Ivano; Menegazzo, Roberto; Munhoz, Marcelo Gimenez; Pizzone, Rosario Gianluca; Rapisarda, Giuseppe Gabriele; Rigato, Valentino; Romano, Stefano; Sergi, Maria Letizia; Souza, Francisco; Sparta, Roberta; Tudisco, Salvo; Tumino, Aurora

2018-01-01

The 10B(p,α)7Be reaction is the main responsible for the 10B destruction in stellar interior [1]. In such environments this p-capture process occurs at a Gamow energy of 10 keV and takes places mainly through a resonant state (Ex = 8.701 MeV) of the compound 11C nucleus. Thus a resonance right in the region of the Gamow peak is expected to significantly influence the behavior of the astrophysical S(E)-factor. The 10B(p,α)7Be reaction was studied via the Trojan Horse Method (THM) applied to the 2H(10B,α7Be)n in order to extract the astrophysical S(E)-factor in a wide energy range from 5 keV to 1.5 MeV.

Modeling CO2 mass transfer in amine mixtures: PZ-AMP and PZ-MDEA.

PubMed

Puxty, Graeme; Rowland, Robert

2011-03-15

The most common method of carbon dioxide (CO(2)) capture is the absorption of CO(2) into a falling thin film of an aqueous amine solution. Modeling of mass transfer during CO(2) absorption is an important way to gain insight and understanding about the underlying processes that are occurring. In this work a new software tool has been used to model CO(2) absorption into aqueous piperazine (PZ) and binary mixtures of PZ with 2-amino-2-methyl-1-propanol (AMP) or methyldiethanolamine (MDEA). The tool solves partial differential and simultaneous equations describing diffusion and chemical reaction automatically derived from reactions written using chemical notation. It has been demonstrated that by using reactions that are chemically plausible the mass transfer in binary mixtures can be fully described by combining the chemical reactions and their associated parameters determined for single amines. The observed enhanced mass transfer in binary mixtures can be explained through chemical interactions occurring in the mixture without need to resort to using additional reactions or unusual transport phenomena such as the "shuttle mechanism".

Molecular diagnostics of periodontitis.

PubMed

Korona-Głowniak, Izabela; Siwiec, Radosław; Berger, Marcin; Malm, Anna; Szymańska, Jolanta

2017-01-28

The microorganisms that form dental plaque are the main cause of periodontitis. Their identification and the understanding of the complex relationships and interactions that involve these microorganisms, environmental factors and the host's health status enable improvement in diagnostics and targeted therapy in patients with periodontitis. To this end, molecular diagnostics techniques (both techniques based on the polymerase chain reaction and those involving nucleic acid analysis via hybridization) come increasingly into use. On the basis of a literature review, the following methods are presented: polymerase chain reaction (PCR), real-time polymerase chain reaction (real-time PCR), 16S rRNA-encoding gene sequencing, checkerboard and reverse-capture checkerboard hybridization, microarrays, denaturing gradient gel electrophoresis (DGGE), temperature gradient gel electrophoresis (TGGE), as well as terminal restriction fragment length polymorphism (TRFLP) and next generation sequencing (NGS). The advantages and drawbacks of each method in the examination of periopathogens are indicated. The techniques listed above allow fast detection of even small quantities of pathogen present in diagnostic material and prove particularly useful to detect microorganisms that are difficult or impossible to grow in a laboratory.

Large-amplitude nuclear motion formulated in terms of dissipation of quantum fluctuations

NASA Astrophysics Data System (ADS)

Kuzyakin, R. A.; Sargsyan, V. V.; Adamian, G. G.; Antonenko, N. V.

2017-01-01

The potential-barrier penetrability and quasi-stationary thermal-decay rate of a metastable state are formulated in terms of microscopic quantum diffusion. Apart from linear coupling in momentum between the collective and internal subsystems, the formalism embraces the more general case of linear couplings in both the momentum and the coordinates. The developed formalism is then used for describing the process of projectile-nucleus capture by a target nucleus at incident energies near and below the Coulomb barrier. The capture partial probability, which determines the cross section for formation of a dinuclear system, is derived in analytical form. The total and partial capture cross sections, mean and root-mean-square angular momenta of the formed dinuclear system, astrophysical -factors, logarithmic derivatives, and barrier distributions are derived for various reactions. Also investigated are the effects of nuclear static deformation and neutron transfer between the interacting nuclei on the capture cross section and its isotopic dependence, and the entrance-channel effects on the capture process. The results of calculations for reactions involving both spherical and deformed nuclei are in good agreement with available experimental data.

Typical visual search performance and atypical gaze behaviors in response to faces in Williams syndrome.

PubMed

Hirai, Masahiro; Muramatsu, Yukako; Mizuno, Seiji; Kurahashi, Naoko; Kurahashi, Hirokazu; Nakamura, Miho

2016-01-01

Evidence indicates that individuals with Williams syndrome (WS) exhibit atypical attentional characteristics when viewing faces. However, the dynamics of visual attention captured by faces remain unclear, especially when explicit attentional forces are present. To clarify this, we introduced a visual search paradigm and assessed how the relative strength of visual attention captured by a face and explicit attentional control changes as search progresses. Participants (WS and controls) searched for a target (butterfly) within an array of distractors, which sometimes contained an upright face. We analyzed reaction time and location of the first fixation-which reflect the attentional profile at the initial stage-and fixation durations. These features represent aspects of attention at later stages of visual search. The strength of visual attention captured by faces and explicit attentional control (toward the butterfly) was characterized by the frequency of first fixations on a face or butterfly and on the duration of face or butterfly fixations. Although reaction time was longer in all groups when faces were present, and visual attention was not dominated by faces in any group during the initial stages of the search, when faces were present, attention to faces dominated in the WS group during the later search stages. Furthermore, for the WS group, reaction time correlated with eye-movement measures at different stages of searching such that longer reaction times were associated with longer face-fixations, specifically at the initial stage of searching. Moreover, longer reaction times were associated with longer face-fixations at the later stages of searching, while shorter reaction times were associated with longer butterfly fixations. The relative strength of attention captured by faces in people with WS is not observed at the initial stage of searching but becomes dominant as the search progresses. Furthermore, although behavioral responses are associated with some aspects of eye movements, they are not as sensitive as eye-movement measurements themselves at detecting atypical attentional characteristics in people with WS.

Measurement of the neutron-capture cross section on 63,65Cu between 0.4 and 7.5 MeV

NASA Astrophysics Data System (ADS)

Bray, Isabel; Bhike, Megha; Krishichayan, (None); Tornow, W.

2015-10-01

Copper is currently being used as a cooling and shielding material in most experimental searches for 0 ν β β decay. In order to accurately interpret background events in these experiments, the cross section of neutron-induced reactions on copper must be known. The purpose of this work was to measure the cross section of the 63,65Cu(n, γ)64,66Cu reactions. Data were collected through the activation method at a range of energies from approximately 0.4 MeV to 7.5 MeV, employing the neutron production reactions 3H(p,n)3Heand2H(d,n)3He. Previous data were limited to energies below approximately 3 MeV. The results are compared to predictions from the nuclear data libraries ENDF/B-VII.1 and TENDL-2014.

Converting Wind Energy to Ammonia at Lower Pressure

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

Malmali, Mahdi; Reese, Michael; McCormick, Alon V.

Renewable wind energy can be used to make ammonia. However, wind-generated ammonia costs about twice that made from a traditional fossil-fuel driven process. To reduce the production cost, we replace the conventional ammonia condensation with a selective absorber containing metal halides, e.g., calcium chloride, operating at near synthesis temperatures. With this reaction-absorption process, ammonia can be synthesized at 20 bar from air, water, and wind-generated electricity, with rates comparable to the conventional process running at 150–300 bar. In our reaction-absorption process, the rate of ammonia synthesis is now controlled not by the chemical reaction but largely by the pump usedmore » to recycle the unreacted gases. The results suggest an alternative route to distributed ammonia manufacture which can locally supply nitrogen fertilizer and also a method to capture stranded wind energy as a carbon-neutral liquid fuel.« less

High pressure jet flame numerical analysis of CO emissions by means of the flamelet generated manifolds technique

NASA Astrophysics Data System (ADS)

Donini, A.; Martin, S. M.; Bastiaans, R. J. M.; van Oijen, J. A.; de Goey, L. P. H.

2013-10-01

In the present paper a computational analysis of a high pressure confined premixed turbulent methane/air jet flames is presented. In this scope, chemistry is reduced by the use of the Flamelet Generated Manifold method [1] and the fluid flow is modeled in an LES and RANS context. The reaction evolution is described by the reaction progress variable, the heat loss is described by the enthalpy and the turbulence effect on the reaction is represented by the progress variable variance. The interaction between chemistry and turbulence is considered through a presumed probability density function (PDF) approach. The use of FGM as a combustion model shows that combustion features at gas turbine conditions can be satisfactorily reproduced with a reasonable computational effort. Furthermore, the present analysis indicates that the physical and chemical processes controlling carbon monoxide (CO) emissions can be captured only by means of unsteady simulations.

Peripheral elastic and inelastic scattering of 17,18O on light targets at 12 MeV/nucleon

NASA Astrophysics Data System (ADS)

Carstoiu, F.; Al-Abdullah, T.; Gagliardi, C. A.; Trache, L.

2015-02-01

The elastic and inelastic scattering of 17,18O with light targets has been undertaken at 12 MeV/nucleon in order to determine the optical potentials needed for the transfer reaction 13C (17O ,18O )12C . Optical potentials in both incoming and outgoing channels have been determined in a single experiment. This transfer reaction was used to infer the direct capture rate to the 17F ( p ,γ)18Ne which is essential to estimate the production of 18F at stellar energies in ONe novae. We demonstrate the stability of the ANC method and OMP results using good quality elastic and inelastic scattering data with stable beams. The peripherality of our reaction is inferred from a semiclassical decomposition of the total scattering amplitude into barrier and internal barrier components. Comparison between elastic scattering of 17O , 18O and 16O projectiles is made.

Converting Wind Energy to Ammonia at Lower Pressure

DOE PAGES

Malmali, Mahdi; Reese, Michael; McCormick, Alon V.; ...

2017-11-07

Renewable wind energy can be used to make ammonia. However, wind-generated ammonia costs about twice that made from a traditional fossil-fuel driven process. To reduce the production cost, we replace the conventional ammonia condensation with a selective absorber containing metal halides, e.g., calcium chloride, operating at near synthesis temperatures. With this reaction-absorption process, ammonia can be synthesized at 20 bar from air, water, and wind-generated electricity, with rates comparable to the conventional process running at 150–300 bar. In our reaction-absorption process, the rate of ammonia synthesis is now controlled not by the chemical reaction but largely by the pump usedmore » to recycle the unreacted gases. The results suggest an alternative route to distributed ammonia manufacture which can locally supply nitrogen fertilizer and also a method to capture stranded wind energy as a carbon-neutral liquid fuel.« less

Impact of the 26mAl(p, γ) reaction to galactic 26Al yield

NASA Astrophysics Data System (ADS)

Kahl, D.; Shimizu, H.; Yamaguchi, H.; Abe, K.; Beliuskina, O.; Cha, S. M.; Chae, K. Y.; Chen, A. A.; Ge, Z.; Hayakawa, S.; Imai, N.; Iwasa, N.; Kim, A.; Kim, D. H.; Kim, M. J.; Kubono, S.; Kwag, M. S.; Liang, J.; Moon, J. Y.; Nishimura, S.; Oka, S.; Park, S. Y.; Psaltis, A.; Teranishi, T.; Ueno, Y.; Yang, L.

2018-04-01

Astrophysical observables that are directly linked to nuclear physics inputs provide critical and stringent constraints on nucleosynthetic models. As 26Al was the first specific radioactivity observed in the Galaxy, its origin has fascinated the nuclear astrophysics community for nearly forty years. Despite extensive research, the precise origins of 26Al remain elusive. At present, the sum of all putative stellar contributions generally overestimates the 26Al mass in the interstellar medium. Among the many reactions that influence the yield of 26Al, radiative proton capture on its isomer 26mAl is one of the least constrained reactions by experimental data. To this end, we developed a 26Al isomeric beam and performed proton elastic scattering to search for low-spin states in 27Si. The experimental method and the preliminary results of this on-going study will be presented.

Proton threshold states in the {sup 22}Na(p,{gamma}){sup 23}Mg reaction and astrophysical implications

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

Comisel, H.; Hategan, C.; Graw, G.

Proton threshold states in {sup 23}Mg are important for the astrophysically relevant proton capture reaction {sup 22}Na(p,{gamma}){sup 23}Mg. In the indirect determination of the resonance strength of the lowest states, which were not accessible by direct methods, some of the spin-parity-assignments remained experimentally uncertain. We have investigated these states with shell model, Coulomb displacement, and Thomas-Ehrman shift calculations. From the comparison of calculated and observed properties, we relate the lowest relevant resonance state at E{sub x}=7643 keV to an excited 3/2{sup +} state in accordance with a recent experimental determination by Jenkins et al. From this we deduce significantly improvedmore » values for the {sup 22}Na(p,{gamma}){sup 23}Mg reaction rate at stellar temperatures below T{sub 9}=0.1 K.« less

Simple, empirical approach to predict neutron capture cross sections from nuclear masses

NASA Astrophysics Data System (ADS)

Couture, A.; Casten, R. F.; Cakirli, R. B.

2017-12-01

Background: Neutron capture cross sections are essential to understanding the astrophysical s and r processes, the modeling of nuclear reactor design and performance, and for a wide variety of nuclear forensics applications. Often, cross sections are needed for nuclei where experimental measurements are difficult. Enormous effort, over many decades, has gone into attempting to develop sophisticated statistical reaction models to predict these cross sections. Such work has met with some success but is often unable to reproduce measured cross sections to better than 40 % , and has limited predictive power, with predictions from different models rapidly differing by an order of magnitude a few nucleons from the last measurement. Purpose: To develop a new approach to predicting neutron capture cross sections over broad ranges of nuclei that accounts for their values where known and which has reliable predictive power with small uncertainties for many nuclei where they are unknown. Methods: Experimental neutron capture cross sections were compared to empirical mass observables in regions of similar structure. Results: We present an extremely simple method, based solely on empirical mass observables, that correlates neutron capture cross sections in the critical energy range from a few keV to a couple hundred keV. We show that regional cross sections are compactly correlated in medium and heavy mass nuclei with the two-neutron separation energy. These correlations are easily amenable to predict unknown cross sections, often converting the usual extrapolations to more reliable interpolations. It almost always reproduces existing data to within 25 % and estimated uncertainties are below about 40 % up to 10 nucleons beyond known data. Conclusions: Neutron capture cross sections display a surprisingly strong connection to the two-neutron separation energy, a nuclear structure property. The simple, empirical correlations uncovered provide model-independent predictions of neutron capture cross sections, extending far from stability, including for nuclei of the highest sensitivity to r -process nucleosynthesis.

Simulation and fitting of complex reaction network TPR: The key is the objective function

DOE PAGES

Savara, Aditya Ashi

2016-07-07

In this research, a method has been developed for finding improved fits during simulation and fitting of data from complex reaction network temperature programmed reactions (CRN-TPR). It was found that simulation and fitting of CRN-TPR presents additional challenges relative to simulation and fitting of simpler TPR systems. The method used here can enable checking the plausibility of proposed chemical mechanisms and kinetic models. The most important finding was that when choosing an objective function, use of an objective function that is based on integrated production provides more utility in finding improved fits when compared to an objective function based onmore » the rate of production. The response surface produced by using the integrated production is monotonic, suppresses effects from experimental noise, requires fewer points to capture the response behavior, and can be simulated numerically with smaller errors. For CRN-TPR, there is increased importance (relative to simple reaction network TPR) in resolving of peaks prior to fitting, as well as from weighting of experimental data points. Using an implicit ordinary differential equation solver was found to be inadequate for simulating CRN-TPR. Lastly, the method employed here was capable of attaining improved fits in simulation and fitting of CRN-TPR when starting with a postulated mechanism and physically realistic initial guesses for the kinetic parameters.« less

Uncertainties in s-process nucleosynthesis in massive stars determined by Monte Carlo variations

NASA Astrophysics Data System (ADS)

Nishimura, N.; Hirschi, R.; Rauscher, T.; St. J. Murphy, A.; Cescutti, G.

2017-08-01

The s-process in massive stars produces the weak component of the s-process (nuclei up to A ˜ 90), in amounts that match solar abundances. For heavier isotopes, such as barium, production through neutron capture is significantly enhanced in very metal-poor stars with fast rotation. However, detailed theoretical predictions for the resulting final s-process abundances have important uncertainties caused both by the underlying uncertainties in the nuclear physics (principally neutron-capture reaction and β-decay rates) as well as by the stellar evolution modelling. In this work, we investigated the impact of nuclear-physics uncertainties relevant to the s-process in massive stars. Using a Monte Carlo based approach, we performed extensive nuclear reaction network calculations that include newly evaluated upper and lower limits for the individual temperature-dependent reaction rates. We found that most of the uncertainty in the final abundances is caused by uncertainties in the neutron-capture rates, while β-decay rate uncertainties affect only a few nuclei near s-process branchings. The s-process in rotating metal-poor stars shows quantitatively different uncertainties and key reactions, although the qualitative characteristics are similar. We confirmed that our results do not significantly change at different metallicities for fast rotating massive stars in the very low metallicity regime. We highlight which of the identified key reactions are realistic candidates for improved measurement by future experiments.

Adaptive moving mesh methods for simulating one-dimensional groundwater problems with sharp moving fronts

USGS Publications Warehouse

Huang, W.; Zheng, Lingyun; Zhan, X.

2002-01-01

Accurate modelling of groundwater flow and transport with sharp moving fronts often involves high computational cost, when a fixed/uniform mesh is used. In this paper, we investigate the modelling of groundwater problems using a particular adaptive mesh method called the moving mesh partial differential equation approach. With this approach, the mesh is dynamically relocated through a partial differential equation to capture the evolving sharp fronts with a relatively small number of grid points. The mesh movement and physical system modelling are realized by solving the mesh movement and physical partial differential equations alternately. The method is applied to the modelling of a range of groundwater problems, including advection dominated chemical transport and reaction, non-linear infiltration in soil, and the coupling of density dependent flow and transport. Numerical results demonstrate that sharp moving fronts can be accurately and efficiently captured by the moving mesh approach. Also addressed are important implementation strategies, e.g. the construction of the monitor function based on the interpolation error, control of mesh concentration, and two-layer mesh movement. Copyright ?? 2002 John Wiley and Sons, Ltd.

Development of a technique using MCNPX code for determination of nitrogen content of explosive materials using prompt gamma neutron activation analysis method

NASA Astrophysics Data System (ADS)

Nasrabadi, M. N.; Bakhshi, F.; Jalali, M.; Mohammadi, A.

2011-12-01

Nuclear-based explosive detection methods can detect explosives by identifying their elemental components, especially nitrogen. Thermal neutron capture reactions have been used for detecting prompt gamma 10.8 MeV following radioactive neutron capture by 14N nuclei. We aimed to study the feasibility of using field-portable prompt gamma neutron activation analysis (PGNAA) along with improved nuclear equipment to detect and identify explosives, illicit substances or landmines. A 252Cf radio-isotopic source was embedded in a cylinder made of high-density polyethylene (HDPE) and the cylinder was then placed in another cylindrical container filled with water. Measurements were performed on high nitrogen content compounds such as melamine (C3H6N6). Melamine powder in a HDPE bottle was placed underneath the vessel containing water and the neutron source. Gamma rays were detected using two NaI(Tl) crystals. The results were simulated with MCNP4c code calculations. The theoretical calculations and experimental measurements were in good agreement indicating that this method can be used for detection of explosives and illicit drugs.

Investigation of RNA Synthesis Using 5-Bromouridine Labelling and Immunoprecipitation.

PubMed

Kofoed, Rikke H; Betzer, Cristine; Lykke-Andersen, Søren; Molska, Ewa; Jensen, Poul H

2018-05-03

When steady state RNA levels are compared between two conditions, it is not possible to distinguish whether changes are caused by alterations in production or degradation of RNA. This protocol describes a method for measurement of RNA production, using 5-Bromouridine labelling of RNA followed by immunoprecipitation, which enables investigation of RNA synthesized within a short timeframe (e.g., 1 h). The advantage of 5-Bromouridine-labelling and immunoprecipitation over the use of toxic transcriptional inhibitors, such as α-amanitin and actinomycin D, is that there are no or very low effects on cell viability during short-term use. However, because 5-Bromouridine-immunoprecipitation only captures RNA produced within the short labelling time, slowly produced as well as rapidly degraded RNA can be difficult to measure by this method. The 5-Bromouridine-labelled RNA captured by 5-Bromouridine-immunoprecipitation can be analyzed by reverse transcription, quantitative polymerase chain reaction, and next generation sequencing. All types of RNA can be investigated, and the method is not limited to measuring mRNA as is presented in this example.

Novel uses of detonator diagnostics

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

Gibson, John R.; Wilde, Zakary Robert; Tasker, Douglas George

A novel combination of diagnostics is being used to research the physics of detonator initiation. The explosive PETN (Pentaerythritol tetranitrate) commonly used in detonators, is also a piezo-electric material that, when sufficiently shocked, emits an electromagnetic field in the radio frequency (RF) range, along crystal fracture planes. In an effort to capture this RF signal, a new diagnostic was created. A copper foil, used as an RF antenna, was wrapped around a foam fixture encompassing a PETN pellet. Rogowski coils were used to obtain the change in current with respect to time (di/dt) the detonator circuit, in and polyvinylidene difluoridemore » (PVDF) stress sensors were used to capture shockwave arrival time. The goal of these experiments is to use these diagnostics to study the reaction response of a PETN pellet of known particle size to shock loading with various diagnostics including an antenna to capture RF emissions. Our hypothesis is that RF feedback may signify the rate of deflagration to detonation transition (DDT) or lack thereof. The new diagnostics and methods will be used to determine the timing of start of current, bridge burst, detonator breakout timing and RF generated from detonation. These data will be compared to those of currently used diagnostics in order to validate the accuracy of these new methods. Future experiments will incorporate other methods of validation including dynamic radiography, optical initiation and use of magnetic field sensors.« less

Preparation and characterization of (10)B boric acid with high purity for nuclear industry.

PubMed

Zhang, Weijiang; Liu, Tianyu; Xu, Jiao

2016-01-01

Boric acid is often added into coolant as neutron capture agent for pressurized water reactor, whose amount is influenced by its abundance and purity. Therefore, the preparation of enriched (10)B boric acid with high purity is beneficial to nuclear industry. (10)B is also used in developing tumor-specific boronated drugs in boron neutron capture therapy. The boronated drug can be administered to patient intravenously, intratumorally, or deposited at tumor site in surgical excision. Thus, enriched (10)B boric acid is of practical significance in the field of medicine. Self-made boron trifluoride-methanol-complex solution was selected as one of the experimental reagents, and the preparation of (10)B acid was realized by one-step reaction for the complexes with water and calcium chloride. The determination of electrical conductivity in reaction process proves that the optimum reaction time was 16-20 h. Furthermore, the effect of reaction time, ratio of calcium chloride to complex as well as the amount of water on the purity and yield of boric acid was investigated. Finally, the optimum reaction time was 20 h, the optimal solid-liquid ratio (molar ratio) was 3:1, and the amount of water was 1 L of deionized water for each mol of the complex. H2O2 was added in the reaction process to remove Fe(2+). After recrystallization, IR spectra of (10)B boric acid was measured and compared with standard to verify the product of boric acid. The feasibility of the preparation method was determined by the detection of XRD of boric acid. To observe the morphology by polarizing microscope, crystal structure was obtained. The purity of the final product is 99.95 %, and the yield is 96.47 %. The ion concentration of boric acid accords with the national standard of high purity, which was determined by ICP.

Charge-dependent non-bonded interaction methods for use in quantum mechanical modeling of condensed phase reactions

NASA Astrophysics Data System (ADS)

Kuechler, Erich R.

Molecular modeling and computer simulation techniques can provide detailed insight into biochemical phenomena. This dissertation describes the development, implementation and parameterization of two methods for the accurate modeling of chemical reactions in aqueous environments, with a concerted scientific effort towards the inclusion of charge-dependent non-bonded non-electrostatic interactions into currently used computational frameworks. The first of these models, QXD, modifies interactions in a hybrid quantum mechanical/molecular (QM/MM) mechanical framework to overcome the current limitations of 'atom typing' QM atoms; an inaccurate and non-intuitive practice for chemically active species as these static atom types are dictated by the local bonding and electrostatic environment of the atoms they represent, which will change over the course of the simulation. The efficacy QXD model is demonstrated using a specific reaction parameterization (SRP) of the Austin Model 1 (AM1) Hamiltonian by simultaneously capturing the reaction barrier for chloride ion attack on methylchloride in solution and the solvation free energies of a series of compounds including the reagents of the reaction. The second, VRSCOSMO, is an implicit solvation model for use with the DFTB3/3OB Hamiltonian for biochemical reactions; allowing for accurate modeling of ionic compound solvation properties while overcoming the discontinuous nature of conventional PCM models when chemical reaction coordinates. The VRSCOSMO model is shown to accurately model the solvation properties of over 200 chemical compounds while also providing smooth, continuous reaction surfaces for a series of biologically motivated phosphoryl transesterification reactions. Both of these methods incorporate charge-dependent behavior into the non-bonded interactions variationally, allowing the 'size' of atoms to change in meaningful ways with respect to changes in local charge state, as to provide an accurate, predictive and transferable models for the interactions between the quantum mechanical system and their solvated surroundings.

Discontinuous Galerkin method for multicomponent chemically reacting flows and combustion

NASA Astrophysics Data System (ADS)

Lv, Yu; Ihme, Matthias

2014-08-01

This paper presents the development of a discontinuous Galerkin (DG) method for application to chemically reacting flows in subsonic and supersonic regimes under the consideration of variable thermo-viscous-diffusive transport properties, detailed and stiff reaction chemistry, and shock capturing. A hybrid-flux formulation is developed for treatment of the convective fluxes, combining a conservative Riemann-solver and an extended double-flux scheme. A computationally efficient splitting scheme is proposed, in which advection and diffusion operators are solved in the weak form, and the chemically stiff substep is advanced in the strong form using a time-implicit scheme. The discretization of the viscous-diffusive transport terms follows the second form of Bassi and Rebay, and the WENO-based limiter due to Zhong and Shu is extended to multicomponent systems. Boundary conditions are developed for subsonic and supersonic flow conditions, and the algorithm is coupled to thermochemical libraries to account for detailed reaction chemistry and complex transport. The resulting DG method is applied to a series of test cases of increasing physico-chemical complexity. Beginning with one- and two-dimensional multispecies advection and shock-fluid interaction problems, computational efficiency, convergence, and conservation properties are demonstrated. This study is followed by considering a series of detonation and supersonic combustion problems to investigate the convergence-rate and the shock-capturing capability in the presence of one- and multistep reaction chemistry. The DG algorithm is then applied to diffusion-controlled deflagration problems. By examining convergence properties for polynomial order and spatial resolution, and comparing these with second-order finite-volume solutions, it is shown that optimal convergence is achieved and that polynomial refinement provides advantages in better resolving the localized flame structure and complex flow-field features associated with multidimensional and hydrodynamic/thermo-diffusive instabilities in deflagration and detonation systems. Comparisons with standard third- and fifth-order WENO schemes are presented to illustrate the benefit of the DG scheme for application to detonation and multispecies flow/shock-interaction problems.

Quantitative mass spectrometric analysis of glycoproteins combined with enrichment methods.

PubMed

Ahn, Yeong Hee; Kim, Jin Young; Yoo, Jong Shin

2015-01-01

Mass spectrometry (MS) has been a core technology for high sensitive and high-throughput analysis of the enriched glycoproteome in aspects of quantitative assays as well as qualitative profiling of glycoproteins. Because it has been widely recognized that aberrant glycosylation in a glycoprotein may involve in progression of a certain disease, the development of efficient analysis tool for the aberrant glycoproteins is very important for deep understanding about pathological function of the glycoprotein and new biomarker development. This review first describes the protein glycosylation-targeting enrichment technologies mainly employing solid-phase extraction methods such as hydrizide-capturing, lectin-specific capturing, and affinity separation techniques based on porous graphitized carbon, hydrophilic interaction chromatography, or immobilized boronic acid. Second, MS-based quantitative analysis strategies coupled with the protein glycosylation-targeting enrichment technologies, by using a label-free MS, stable isotope-labeling, or targeted multiple reaction monitoring (MRM) MS, are summarized with recent published studies. © 2014 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc.

Investigation of the reaction 74Ge(p,γ)75As using the in-beam method to improve reaction network predictions for p nuclei

NASA Astrophysics Data System (ADS)

Sauerwein, A.; Endres, J.; Netterdon, L.; Zilges, A.; Foteinou, V.; Provatas, G.; Konstantinopoulos, T.; Axiotis, M.; Ashley, S. F.; Harissopulos, S.; Rauscher, T.

2012-09-01

Background: Astrophysical models studying the origin of the neutron-deficient p nuclides require knowledge of proton capture cross sections at low energy. The production site of the p nuclei is still under discussion but a firm basis of nuclear reaction rates is required to address the astrophysical uncertainties. Data at astrophysically relevant interaction energies are scarce. Problems with the prediction of charged particle capture cross sections at low energy were found in the comparisons between previous data and calculations in the Hauser-Feshbach statistical model of compound reactions.Purpose: A measurement of 74Ge(p,γ)75As at low proton energies, inside the astrophysically relevant energy region, is important in several respects. The reaction is directly important because it is a bottleneck in the reaction flow which produces the lightest p nucleus 74Se. It is also an important addition to the data set required to test reaction-rate predictions and to allow an improvement in the global p+nucleus optical potential required in such calculations.Method: An in-beam experiment was performed, making it possible to measure in the range 2.1≤Ep≤3.7MeV, which is for the most part inside the astrophysically relevant energy window. Angular distributions of the γ-ray transitions were measured with high-purity germanium detectors at eight angles relative to the beam axis. In addition to the total cross sections, partial cross sections for the direct population of 12 levels were determined.Results: The resulting cross sections were compared to Hauser-Feshbach calculations using the code smaragd. Only a constant renormalization factor of the calculated proton widths allowed a good reproduction of both total and partial cross sections. The accuracy of the calculation made it possible to check the spin assignment of some states in 75As. In the case of the 1075-keV state, a double state with spins and parities of 3/2- and 5/2- is needed to explain the experimental partial cross sections. A change in parity from 5/2+ to 5/2- is required for the state at 401 keV. Furthermore, in the case of 74Ge, studying the combination of total and partial cross sections made it possible to test the γ width, which is essential in the calculation of the astrophysical 74As(n,γ)75As rate.Conclusions: Between data and statistical model prediction a factor of about two was found. Nevertheless, the improved astrophysical reaction rate of 74Ge(p,γ) (and its reverse reaction) is only 28% larger than the previous standard rate. The prediction of the 74As(n,γ)75As rate (and its reverse) was confirmed, the newly calculated rate differs only by a few percent from the previous prediction. The in-beam method with high-efficiency detectors proved to be a powerful tool for studies in nuclear astrophysics and nuclear structure.

Electrically detected displacement assay (EDDA): a practical approach to nucleic acid testing in clinical or medical diagnosis.

PubMed

Liepold, P; Kratzmüller, T; Persike, N; Bandilla, M; Hinz, M; Wieder, H; Hillebrandt, H; Ferrer, E; Hartwich, G

2008-07-01

This paper introduces the electrically detected displacement assay (EDDA), a electrical biosensor detection principle for applications in medical and clinical diagnosis, and compares the method to currently available microarray technologies in this field. The sensor can be integrated into automated systems of routine diagnosis, but may also be used as a sensor that is directly applied to the polymerase chain reaction (PCR) reaction vessel to detect unlabeled target amplicons within a few minutes. Major aspects of sensor assembly like immobilization procedure, accessibility of the capture probes, and prevention from nonspecific target adsorption, that are a prerequisite for a robust and reliable performance of the sensor, are demonstrated. Additionally, exemplary results from a human papillomavirus assay are presented.

Investigation of large α production in reactions involving weakly bound 7Li

NASA Astrophysics Data System (ADS)

Pandit, S. K.; Shrivastava, A.; Mahata, K.; Parkar, V. V.; Palit, R.; Keeley, N.; Rout, P. C.; Kumar, A.; Ramachandran, K.; Bhattacharyya, S.; Nanal, V.; Palshetkar, C. S.; Nag, T. N.; Gupta, Shilpi; Biswas, S.; Saha, S.; Sethi, J.; Singh, P.; Chatterjee, A.; Kailas, S.

2017-10-01

The origin of the large α -particle production cross sections in systems involving weakly bound 7Li projectiles has been investigated by measuring the cross sections of all possible fragment-capture as well as complete fusion using the particle-γ coincidence, in-beam, and off-beam γ -ray counting techniques for the 7Li+93Nb system at near Coulomb barrier energies. Almost all of the inclusive α -particle yield has been accounted for. While the t -capture mechanism is found to be dominant (˜70 % ), compound nuclear evaporation and breakup processes contribute ˜15 % each to the inclusive α -particle production in the measured energy range. Systematic behavior of the t capture and inclusive α cross sections for reactions involving 7Li over a wide mass range is also reported.

Stellar neutron sources and s-process in massive stars

NASA Astrophysics Data System (ADS)

Talwar, Rashi

The s-process or the slow neutron capture process is a nucleosynthesis process taking place at relatively low neutron densities in stars. It runs along the valley of beta stability since the neutron capture rate is much slower compared to the beta decay rate. The s-process occurs mainly during core helium burning and shell carbon burning phase in massive stars and during thermally pulsing helium burning phase in asymptotic giant-branch stars. The potential stellar neutron source for the s-process is associated with alpha-capture reactions on light nuclei. The capture-reaction rates provide the reaction flow for the build-up of22Ne neutron source during the heliumburning phase in these stars. The low energy 26Mg resonances at stellar energies below 800 keV are predicted to have a critical influence on the alpha-capture rates on 22Ne. Some of these resonances may also correspond to pronounced alpha cluster structure near the alpha-threshold. However, these resonances have remained elusive during direct alpha capture measurements owing to the high Coulomb barrier and background from cosmic rays and beam induced reactions. Hence, in the present work, alpha-inelastic scattering and alpha- transfer measurements have been performed to probe the level structure of 26Mg nucleus in order to determine the 22Ne+alpha-capture rates. Both experiments have been performed using the high-resolution Grand Raiden Spectrometer at the Research Center for Nuclear Physics (RCNP), Osaka, Japan. For the alpha-inelastic scattering measurement, a self-supporting solid 26Mg target was used and for the alpha-transfer study via the (6Li,d) reaction, 22Ne gas enclosed in a gas cell with Aramid windows was used. The reaction products were momentum analysed by the spectrometer and detected at the focal plane equipped with two multi-wire drift chambers and two plastic-scintillation detectors. The focal plane detection system provided information on the position, the angle, the time of flight and the energy of the particles enabling the reconstruction of the kinematics at the target. The focal plane energy calibration allowed for the study of 26 Mg levels from Ex = 7.69 - 12.06 MeV in the (alpha; alpha0) measurement and Ex = 7.36 - 11.32 MeV in the (6Li,d) measurement. Six levels (Ex = 10717 (9) keV , 10822 (10) keV, 10951 (21) keV, 11085 (8) keV, 11167 (8) keV and 11317 (18) keV) were observed above the alpha-threshold in the region of interest (10.61 - 11.32 MeV). The Ex = 10717 keV had a negligible contribution to the alpha-capture rates. The Ex = 10951, 11167 and 11317 keV exhibited pronounced alpha-cluster structure and hence, dominated the alpha-capture rates. The Ex = 11167 keV had the most appreciable impact on the (alpha; gamma ) rate increasing it by 2 orders of magnitude above Longland et al. [58] and Bisterzo et al. [8] rates and by a factor of 3 above NACRE [2] rate. Hence, the recommended 22Ne(alpha,n) + 22Ne(alpha; ) rates, from the present work, strongly favour the reduction of s-process over-abundances associated with massive stars as well as AGB stars of intermediate initial mass. Also, the uncertainty range corresponding to the present rates suggest the need for a more refined measurement of the associated resonance parameters.

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

DOE PAGES

Holland, Troy; Fletcher, Thomas H.

2017-02-22

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels inmore » the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.« less

Comprehensive Model of Single Particle Pulverized Coal Combustion Extended to Oxy-Coal Conditions

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

Holland, Troy; Fletcher, Thomas H.

Oxy-fired coal combustion is a promising potential carbon capture technology. Predictive CFD simulations are valuable tools in evaluating and deploying oxy-fuel and other carbon capture technologies either as retrofit technologies or for new construction. But, accurate predictive simulations require physically realistic submodels with low computational requirements. In particular, comprehensive char oxidation and gasification models have been developed that describe multiple reaction and diffusion processes. Our work extends a comprehensive char conversion code (CCK), which treats surface oxidation and gasification reactions as well as processes such as film diffusion, pore diffusion, ash encapsulation, and annealing. In this work several submodels inmore » the CCK code were updated with more realistic physics or otherwise extended to function in oxy-coal conditions. Improved submodels include the annealing model, the swelling model, the mode of burning parameter, and the kinetic model, as well as the addition of the chemical percolation devolatilization (CPD) model. We compare our results of the char combustion model to oxy-coal data, and further compared to parallel data sets near conventional conditions. A potential method to apply the detailed code in CFD work is given.« less

Quantum hydrodynamics: capturing a reactive scattering resonance.

PubMed

Derrickson, Sean W; Bittner, Eric R; Kendrick, Brian K

2005-08-01

The hydrodynamic equations of motion associated with the de Broglie-Bohm formulation of quantum mechanics are solved using a meshless method based upon a moving least-squares approach. An arbitrary Lagrangian-Eulerian frame of reference and a regridding algorithm which adds and deletes computational points are used to maintain a uniform and nearly constant interparticle spacing. The methodology also uses averaged fields to maintain unitary time evolution. The numerical instabilities associated with the formation of nodes in the reflected portion of the wave packet are avoided by adding artificial viscosity to the equations of motion. A new and more robust artificial viscosity algorithm is presented which gives accurate scattering results and is capable of capturing quantum resonances. The methodology is applied to a one-dimensional model chemical reaction that is known to exhibit a quantum resonance. The correlation function approach is used to compute the reactive scattering matrix, reaction probability, and time delay as a function of energy. Excellent agreement is obtained between the scattering results based upon the quantum hydrodynamic approach and those based upon standard quantum mechanics. This is the first clear demonstration of the ability of moving grid approaches to accurately and robustly reproduce resonance structures in a scattering system.

Excited nuclei, resonances and reactions in neutron star crusts

NASA Astrophysics Data System (ADS)

Takibayev, N.; Nasirova, D.; Katō, K.; Kurmangaliyeva, V.

2018-01-01

The short review of research results concerning the study of reactions and processes that occur in the neutron star crusts is given. The peculiarities of electron capture reactions by a nucleus in overdense crystalline structures have been demonstrated for various nuclei, in particular some even-even nuclei at electron capture reactions give daughter nuclei in excited states. Excited nuclei due to nonlinear interactions lead to a high-order harmonic generation. High energy gammas interact with charged particles, give a neutrino radiation and also knock out nucleons from neighbour nuclei. It is also shown that interactions of neutrons with two and more nuclei in an overdence lattice give a large number of new resonance states. These resonances result in a formation of specific local oscillations in the corresponding layers of the lattice. The periodic enhancement of these processes in the dependence on the elemental composition of the primary neutron star matter is considered.

α -induced reactions on 115In: Cross section measurements and statistical model analysis

NASA Astrophysics Data System (ADS)

Kiss, G. G.; Szücs, T.; Mohr, P.; Török, Zs.; Huszánk, R.; Gyürky, Gy.; Fülöp, Zs.

2018-05-01

Background: α -nucleus optical potentials are basic ingredients of statistical model calculations used in nucleosynthesis simulations. While the nucleon+nucleus optical potential is fairly well known, for the α +nucleus optical potential several different parameter sets exist and large deviations, reaching sometimes even an order of magnitude, are found between the cross section predictions calculated using different parameter sets. Purpose: A measurement of the radiative α -capture and the α -induced reaction cross sections on the nucleus 115In at low energies allows a stringent test of statistical model predictions. Since experimental data are scarce in this mass region, this measurement can be an important input to test the global applicability of α +nucleus optical model potentials and further ingredients of the statistical model. Methods: The reaction cross sections were measured by means of the activation method. The produced activities were determined by off-line detection of the γ rays and characteristic x rays emitted during the electron capture decay of the produced Sb isotopes. The 115In(α ,γ )119Sb and 115In(α ,n )Sb118m reaction cross sections were measured between Ec .m .=8.83 and 15.58 MeV, and the 115In(α ,n )Sb118g reaction was studied between Ec .m .=11.10 and 15.58 MeV. The theoretical analysis was performed within the statistical model. Results: The simultaneous measurement of the (α ,γ ) and (α ,n ) cross sections allowed us to determine a best-fit combination of all parameters for the statistical model. The α +nucleus optical potential is identified as the most important input for the statistical model. The best fit is obtained for the new Atomki-V1 potential, and good reproduction of the experimental data is also achieved for the first version of the Demetriou potentials and the simple McFadden-Satchler potential. The nucleon optical potential, the γ -ray strength function, and the level density parametrization are also constrained by the data although there is no unique best-fit combination. Conclusions: The best-fit calculations allow us to extrapolate the low-energy (α ,γ ) cross section of 115In to the astrophysical Gamow window with reasonable uncertainties. However, still further improvements of the α -nucleus potential are required for a global description of elastic (α ,α ) scattering and α -induced reactions in a wide range of masses and energies.

Synfuel production in nuclear reactors

DOEpatents

Henning, C.D.

Apparatus and method for producing synthetic fuels and synthetic fuel components by using a neutron source as the energy source, such as a fusion reactor. Neutron absorbers are disposed inside a reaction pipe and are heated by capturing neutrons from the neutron source. Synthetic fuel feedstock is then placed into contact with the heated neutron absorbers. The feedstock is heated and dissociates into its constituent synfuel components, or alternatively is at least preheated sufficiently to use in a subsequent electrolysis process to produce synthetic fuels and synthetic fuel components.

Activities report in nuclear physics and particle acceleration

NASA Astrophysics Data System (ADS)

Jansen, J. F. W.; Demeijer, R. J.

1984-04-01

Research on nuclear resonances; charge transfer; breakup of light and heavy ions; reaction mechanisms of heavy ion collisions; high-spin states; and fundamental symmetries in weak interactions are outlined. Group theoretical methods applied to supersymmetries; phenomenological description of rotation-vibration coupling; a microscopic theory of collective variables; the binding energy of hydrogen adsorbed on stepped platinium; and single electron capture are discussed. Isotopes for nuclear medicine, for off-line nuclear spectroscopy work, and for the study of hyperfine interactions were produced.

Electrochemical product detection of an asymmetric convective polymerase chain reaction.

PubMed

Duwensee, Heiko; Mix, Maren; Stubbe, Marco; Gimsa, Jan; Adler, Marcel; Flechsig, Gerd-Uwe

2009-10-15

For the first time, we describe the application of heated microwires for an asymmetric convective polymerase chain reaction (PCR) in a modified PCR tube in a small volume. The partly single-stranded product was labeled with the electrochemically active compound osmium tetroxide bipyridine using a partially complementary protective strand with five mismatches compared to the single-stranded product. The labeled product could be successfully detected at a gold electrode modified with a complementary single-stranded capture probe immobilized via a thiol-linker. Our simple thermo-convective PCR yielded electrochemically detectable products after only 5-10 min. A significant discrimination between complementary and non-complementary target was possible using different immobilized capture probes. The total product yield was approx. half the amount of the classical thermocycler PCR. Numerical simulations describing the thermally driven convective PCR explain the received data. Discrimination between complementary capture probes and non-complementary capture probes was performed using square-wave voltammetry. The coupling of asymmetric thermo-convective PCR with electrochemical detection is very promising for future compact DNA sensor devices.

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

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

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

Recombination radius of a Frenkel pair and capture radius of a self-interstitial atom by vacancy clusters in bcc Fe

DOE PAGES

Nakashima, Kenichi; Stoller, Roger E.; Xu, Haixuan

2015-08-04

The recombination radius of a Frenkel pair is a fundamental parameter for the object kinetic Monte Carlo (OKMC) and mean field rate theory (RT) methods that are used to investigate irradiation damage accumulation in neutron irradiated nuclear materials. The recombination radius in bcc Fe has been studied both experimentally and numerically, however there is no general consensus about its value. The detailed atomistic processes of recombination also remain uncertain. Values from 1:0a₀ to 3:3a₀ have been employed as a recombination radius in previous studies using OKMC and RT. The recombination process of a Frenkel pair is investigated at the atomicmore » level using the self-evolved atomistic kinetic Monte Carlo (SEAKMC) method in this paper. SEAKMC calculations reveal that a self-interstitial atom recombines with a vacancy in a spontaneous reaction from several nearby sites following characteristic pathways. The recombination radius of a Frenkel pair is estimated to be 2.26a₀ by taking the average of the recombination distances from 80 simulation cases. This value agrees well with the experimental estimate. In addition, we apply these procedures to the capture radius of a self-interstitial atom by a vacancy cluster. The capture radius is found to gradually increase with the size of the vacancy cluster. The fitting curve for the capture radius is obtained as a function of the number of vacancies in the cluster.« less

Capturing and concentrating adenovirus using magnetic anionic nanobeads

PubMed Central

Sakudo, Akikazu; Baba, Koichi; Ikuta, Kazuyoshi

2016-01-01

We recently demonstrated how various enveloped viruses can be efficiently concentrated using magnetic beads coated with an anionic polymer, poly(methyl vinyl ether-maleic anhydrate). However, the exact mechanism of interaction between the virus particles and anionic beads remains unclear. To further investigate whether these magnetic anionic beads specifically bind to the viral envelope, we examined their potential interaction with a nonenveloped virus (adenovirus). The beads were incubated with either adenovirus-infected cell culture medium or nasal aspirates from adenovirus-infected individuals and then separated from the supernatant by applying a magnetic field. After thoroughly washing the beads, adsorption of adenovirus was confirmed by a variety of techniques, including immunochromatography, polymerase chain reaction, Western blotting, and cell culture infection assays. These detection methods positively identified the hexon and penton capsid proteins of adenovirus along with the viral genome on the magnetic beads. Furthermore, various types of adenovirus including Types 5, 6, 11, 19, and 41 were captured using the magnetic bead procedure. Our bead capture method was also found to increase the sensitivity of viral detection. Adenovirus below the detectable limit for immunochromatography was efficiently concentrated using the magnetic bead procedure, allowing the virus to be successfully detected using this methodology. Moreover, these findings clearly demonstrate that a viral envelope is not required for binding to the anionic magnetic beads. Taken together, our results show that this capture procedure increases the sensitivity of detection of adenovirus and would, therefore, be a valuable tool for analyzing both clinical and experimental samples. PMID:27274228

Neutron Capture Gamma-Ray Libraries for Nuclear Applications

NASA Astrophysics Data System (ADS)

Sleaford, B. W.; Firestone, R. B.; Summers, N.; Escher, J.; Hurst, A.; Krticka, M.; Basunia, S.; Molnar, G.; Belgya, T.; Revay, Z.; Choi, H. D.

2011-06-01

The neutron capture reaction is useful in identifying and analyzing the gamma-ray spectrum from an unknown assembly as it gives unambiguous information on its composition. This can be done passively or actively where an external neutron source is used to probe an unknown assembly. There are known capture gamma-ray data gaps in the ENDF libraries used by transport codes for various nuclear applications. The Evaluated Gamma-ray Activation file (EGAF) is a new thermal neutron capture database of discrete line spectra and cross sections for over 260 isotopes that was developed as part of an IAEA Coordinated Research Project. EGAF is being used to improve the capture gamma production in ENDF libraries. For medium to heavy nuclei the quasi continuum contribution to the gamma cascades is not experimentally resolved. The continuum contains up to 90% of all the decay energy and is modeled here with the statistical nuclear structure code DICEBOX. This code also provides a consistency check of the level scheme nuclear structure evaluation. The calculated continuum is of sufficient accuracy to include in the ENDF libraries. This analysis also determines new total thermal capture cross sections and provides an improved RIPL database. For higher energy neutron capture there is less experimental data available making benchmarking of the modeling codes more difficult. We are investigating the capture spectra from higher energy neutrons experimentally using surrogate reactions and modeling this with Hauser-Feshbach codes. This can then be used to benchmark CASINO, a version of DICEBOX modified for neutron capture at higher energy. This can be used to simulate spectra from neutron capture at incident neutron energies up to 20 MeV to improve the gamma-ray spectrum in neutron data libraries used for transport modeling of unknown assemblies.

Carbon dioxide absorbent and method of using the same

DOEpatents

Perry, Robert James [Niskayuna, NY; Lewis, Larry Neil [Scotia, NY; O'Brien, Michael Joseph [Clifton Park, NY; Soloveichik, Grigorii Lev [Latham, NY; Kniajanski, Sergei [Clifton Park, NY; Lam, Tunchiao Hubert [Clifton Park, NY; Lee, Julia Lam [Niskayuna, NY; Rubinsztajn, Malgorzata Iwona [Ballston Spa, NY

2011-10-04

In accordance with one aspect, the present invention provides an amino-siloxane composition comprising at least one of structures I, II, III, IV or V said compositions being useful for the capture of carbon dioxide from gas streams such as power plant flue gases. In addition, the present invention provides methods of preparing the amino-siloxane compositions are provided. Also provided are methods for reducing the amount of carbon dioxide in a process stream employing the amino-siloxane compositions of the invention as species which react with carbon dioxide to form an adduct with carbon dioxide. The reaction of the amino-siloxane compositions provided by the present invention with carbon dioxide is reversible and thus, the method provides for multicycle use of said compositions.

Development of the focal plane system for the SEparator for CApture Reactions

NASA Astrophysics Data System (ADS)

Hood, A. A. D.; Blackmon, J. C.; Cottingham, R.; Deibel, C. M.; Good, E.; Joerres, K.; Laminack, A.; Garrity, A.; Secar Collaboration

2017-09-01

The SEparator for CApture Reactions (SECAR) is currently under construction for the National Superconducting Cyclotron Laboratory and future Facility for Rare Isotope Beams. SECAR is designed to conduct sensitive measurements of capture reactions critical to understanding stellar explosions. We have developed a versatile focal plane system that will differentiate reaction recoils from unreacted scattered beam particles in measurements covering a large range of energies and masses. The elements of the focal plane system include two metal-foil, micro-channel plate (MCP) detectors, a variety of diagnostics, and two alternative recoil stopping detectors. The MCP detectors will measure the time-of-flight (and therefore velocity) as well as the position of the recoils. Our primary heavy ion recoil detector is a gas ionization chamber that measures position, total energy and relative energy loss and provides good atomic number discrimination at energies greater than about 0.5 MeV/u. For some cases, this gas counter will be replaced by silicon strip detectors to provide superior energy resolution. We will describe the overall design and report on construction and testing of the detector systems. Supported by the U.S. Department of Energy, Office of Science, Office of Nuclear Physics, under Awards DE-SC0014384 and DE-FG02-96ER40978.

Astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture reactions in a potential-model approach

NASA Astrophysics Data System (ADS)

Tursunov, E. M.; Turakulov, S. A.; Kadyrov, A. S.

2018-03-01

The astrophysical 3He(α ,γ )7Be and 3H(α ,γ )7Li direct capture processes are studied in the framework of the two-body model with potentials of a simple Gaussian form, which describe correctly the phase shifts in the s , p , d , and f waves, as well as the binding energy and the asymptotic normalization constant of the ground p3 /2 and the first excited p1 /2 bound states. It is shown that the E 1 transition from the initial s wave to the final p waves is strongly dominant in both capture reactions. On this basis the s -wave potential parameters are adjusted to reproduce the new data of the LUNA Collaboration around 100 keV and the newest data at the Gamov peak estimated with the help of the observed neutrino fluxes from the sun, S34(23-5+6keV ) =0.548 ±0.054 keV b for the astrophysical S factor of the capture process 3He(α ,γ )7Be . The resulting model describes well the astrophysical S factor in the low-energy big-bang nucleosynthesis region of 180-400 keV; however, it has a tendency to underestimate the data above 0.5 MeV. The energy dependence of the S factor is mostly consistent with the data and the results of the no-core shell model with continuum, but substantially different from the fermionic molecular dynamics model predictions. Two-body potentials, adjusted for the properties of the 7Be nucleus, 3He+α elastic scattering data, and the astrophysical S factor of the 3He(α ,γ )7Be direct capture reaction, are able to reproduce the properties of the 7Li nucleus, the binding energies of the ground 3 /2- and first excited 1 /2- states, and phase shifts of the 3H+α elastic scattering in partial waves. Most importantly, these potential models can successfully describe both absolute value and energy dependence of the existing experimental data for the mirror astrophysical 3H(α ,γ )7Li capture reaction without any additional adjustment of the parameters.

Reaction dynamics near the barrier

NASA Astrophysics Data System (ADS)

Loveland, W.

2011-10-01

The availability of modest intensity (103-107 p/s) radioactive nuclear beams has had a significant impact on the study of nuclear reactions near the interaction barrier. The role of isospin in capture reactions is a case in point. Using heavy elements as a laboratory to explore these effects, we note that the cross section for producing an evaporation residue is σEVR(Ec . m .) = ∑ J = 0 JmaxσCN(Ec . m . , J) Wsur(Ec . m . , J) where σCN is the complete fusion cross section and Wsur is the survival probability of the completely fused system. The complete fusion cross section can be written as, σCN(Ec . m .) = ∑ J = 0 Jmaxσcapture(Ec . m .) PCN(Ec . m . , J) where σcapture(Ec.m.,J) is the ``capture'' cross section at center-of mass energy Ec.m. and spin J and PCN is the probability that the projectile-target system will evolve inside the fission saddle point to form a completely fused system rather than re-separating (quasi-fission). The systematics of the isospin dependence of the capture cross sections has been developed and the deduced interaction barriers for all known studies of capture cross sections with radioactive beams are in good agreement with recent predictions of an improved QMD model and semi-empirical models. The deduced barriers for these n-rich systems are lower than one would expect from the Bass or proximity potentials. In addition to the barrier lowering, there is an enhanced sub-barrier cross section in these n-rich systems that is of advantage in the synthesis of new heavy nuclei. Recent studies of the ``inverse fission'' of uranium (124,132Sn + 100Mo) have yielded unexpectedly low upper limits for this process due apparently to low values of the fusion probability, PCN. The fusion of halo nuclei, like 11Li with heavy nuclei, like 208Pb, promises to give new information about these and related nuclei and has led/may lead to unusual reaction mechanisms. This work was sponsored, in part, by the USDOE Office of Nuclear Physics.

Measurement of the Am 242 m neutron-induced reaction cross sections

DOE PAGES

Buckner, M. Q.; Wu, C. Y.; Henderson, R. A.; ...

2017-02-17

The neutron-induced reaction cross sections of 242mAm were measured at the Los Alamos Neutron Science Center using the Detector for Advanced Neutron-Capture Experiments array along with a compact parallel-plate avalanche counter for fission-fragment detection. A new neutron-capture cross section was determined, and the absolute scale was set according to a concurrent measurement of the well-known 242mAm(n,f) cross section. The (n,γ) cross section was measured from thermal energy to an incident energy of 1 eV at which point the data quality was limited by the reaction yield in the laboratory. Our new 242mAm fission cross section was normalized to ENDF/B-VII.1 tomore » set the absolute scale, and it agreed well with the (n,f) cross section from thermal energy to 1 keV. Lastly, the average absolute capture-to-fission ratio was determined from thermal energy to E n = 0.1 eV, and it was found to be 26(4)% as opposed to the ratio of 19% from the ENDF/B-VII.1 evaluation.« less

A general moment expansion method for stochastic kinetic models

NASA Astrophysics Data System (ADS)

Ale, Angelique; Kirk, Paul; Stumpf, Michael P. H.

2013-05-01

Moment approximation methods are gaining increasing attention for their use in the approximation of the stochastic kinetics of chemical reaction systems. In this paper we derive a general moment expansion method for any type of propensities and which allows expansion up to any number of moments. For some chemical reaction systems, more than two moments are necessary to describe the dynamic properties of the system, which the linear noise approximation is unable to provide. Moreover, also for systems for which the mean does not have a strong dependence on higher order moments, moment approximation methods give information about higher order moments of the underlying probability distribution. We demonstrate the method using a dimerisation reaction, Michaelis-Menten kinetics and a model of an oscillating p53 system. We show that for the dimerisation reaction and Michaelis-Menten enzyme kinetics system higher order moments have limited influence on the estimation of the mean, while for the p53 system, the solution for the mean can require several moments to converge to the average obtained from many stochastic simulations. We also find that agreement between lower order moments does not guarantee that higher moments will agree. Compared to stochastic simulations, our approach is numerically highly efficient at capturing the behaviour of stochastic systems in terms of the average and higher moments, and we provide expressions for the computational cost for different system sizes and orders of approximation. We show how the moment expansion method can be employed to efficiently quantify parameter sensitivity. Finally we investigate the effects of using too few moments on parameter estimation, and provide guidance on how to estimate if the distribution can be accurately approximated using only a few moments.

FUEL RICH SULFUR CAPTURE IN A COMBUSTION ENVIRONMENT

EPA Science Inventory

A refractory-lined, natural gas furnace was used to study fuel rich sulfur capture reactions of calcium sorbents under typical combustion conditions. The fuel rich sulfur species H2S and COS were monitored in a near-continuous fashion using a gas chromatograph equipped with a fl...

Organized for Genocide: Student Reactions and Learning from Use of Emotive Documentaries on the Holocaust

ERIC Educational Resources Information Center

Kearney, Kerri S.; Krumm, Bernita; Hughes, Robin L.; Satterfield, James W.

2013-01-01

This article reports the qualitative analysis of the use of highly emotive documentaries of the Holocaust in a graduate-level organizational theory class. Specifically, the article looks at student reactions and impacts on learning. Student-produced work captured a broad range of reactions that led to increased insights about organizations (the…

Studies of X-ray burst reactions with radioactive ion beams from RESOLUT

NASA Astrophysics Data System (ADS)

Blackmon, J. C.; Wiedenhöver, I.; Belarge, J.; Kuvin, S. A.; Anastasiou, M.; Baby, L. T.; Baker, J.; Colbert, K.; Deibel, C. M.; de Lucio, O.; Gardiner, H. E.; Gay, D. L.; Good, E.; Höflich, P.; Hood, A. A. D.; Keely, N.; Lai, J.; Laminack, A.; Linhardt, L. E.; Lighthall, J.; Macon, K. T.; Need, E.; Quails, N.; Rasco, B. C.; Rijal, N.; Volya, A.

2018-01-01

Reactions on certain proton-rich, radioactive nuclei have been shown to have a significant influence on X-ray bursts. We provide an overview of two recent measurements of important X-ray burst reactions using in-flight radioactive ion beams from the RESOLUT facility at the J. D. Fox Superconducting Accelerator Laboratory at Florida State University. The 17F(d,n)18Ne reaction was measured, and Asymptotic Normalization Coefficients were extracted for bound states in 18Ne that determine the direct-capture cross section dominating the 17F(p,γ)18Ne reaction rate for T≲ 0.45 GK. Unbound resonant states were also studied, and the single-particle strength for the 4.523-MeV (3+) state was found to be consistent with previous results. The 19Ne(d,n)20Na proton transfer reaction was used to study resonances in the 19Ne(p,γ)20Na reaction. The most important 2.65-MeV state in 20Na was observed to decay by proton emission to both the ground and first-excited states in 19Ne, providing strong evidence for a 3+ spin assignment and indicating that proton capture on the thermally-populated first-excited state in 19Ne is an important contributor to the 19Ne(p,γ)20Na reaction rate.

An extensible framework for capturing solvent effects in computer generated kinetic models.

PubMed

Jalan, Amrit; West, Richard H; Green, William H

2013-03-14

Detailed kinetic models provide useful mechanistic insight into a chemical system. Manual construction of such models is laborious and error-prone, which has led to the development of automated methods for exploring chemical pathways. These methods rely on fast, high-throughput estimation of species thermochemistry and kinetic parameters. In this paper, we present a methodology for extending automatic mechanism generation to solution phase systems which requires estimation of solvent effects on reaction rates and equilibria. The linear solvation energy relationship (LSER) method of Abraham and co-workers is combined with Mintz correlations to estimate ΔG(solv)°(T) in over 30 solvents using solute descriptors estimated from group additivity. Simple corrections are found to be adequate for the treatment of radical sites, as suggested by comparison with known experimental data. The performance of scaled particle theory expressions for enthalpic-entropic decomposition of ΔG(solv)°(T) is also presented along with the associated computational issues. Similar high-throughput methods for solvent effects on free-radical kinetics are only available for a handful of reactions due to lack of reliable experimental data, and continuum dielectric calculations offer an alternative method for their estimation. For illustration, we model liquid phase oxidation of tetralin in different solvents computing the solvent dependence for ROO• + ROO• and ROO• + solvent reactions using polarizable continuum quantum chemistry methods. The resulting kinetic models show an increase in oxidation rate with solvent polarity, consistent with experiment. Further work needed to make this approach more generally useful is outlined.

A simulation study on the abatement of CO2 emissions by de-absorption with monoethanolamine.

PubMed

Greer, T; Bedelbayev, A; Igreja, J M; Gomes, J F; Lie, B

2010-01-01

Because of the adverse effect of CO2 from fossil fuel combustion on the earth's ecosystems, the most cost-effective method for CO2 capture is an important area of research. The predominant process for CO2 capture currently employed by industry is chemical absorption in amine solutions. A dynamic model for the de-absorption process was developed with monoethanolamine (MEA) solution. Henry's law was used for modelling the vapour phase equilibrium of the CO2, and fugacity ratios calculated by the Peng-Robinson equation of state (EOS) were used for H2O, MEA, N2 and O2. Chemical reactions between CO2 and MEA were included in the model along with the enhancement factor for chemical absorption. Liquid and vapour energy balances were developed to calculate the liquid and vapour temperature, respectively.

An electrochemical biosensor for double-stranded Wnt7B gene detection based on enzymatic isothermal amplification.

PubMed

Li, Junlong; Chen, Zhongping; Xiang, Yu; Zhou, Lili; Wang, Ting; Zhang, Zhang; Sun, Kexin; Yin, Dan; Li, Yi; Xie, Guoming

2016-12-15

Wnt7B gene plays an important role in the development and progression of breast cancer, gastric cancer, esophageal cancer and pancreatic cancer. While, the natural state of DNA is double stranded, which makes it difficult to be directly detected. Here, we develop an electrochemical biosensor method for Wnt7B gene detection without the need to denature the target. This method firstly used nicking enzyme for exploiting in the double-stranded DNA (dsDNA). Then, long single-stranded DNA (ssDNA) was generated from the cutting site through polymerase extension reaction. Whereafter, the long ssDNA triggered a hairpin self-assembly recycling reaction, which gave rise to another isothermal amplification reaction. Last, short ssDNA was formed after the this amplification process, which could hybridize with the capture probe immobilized on Au electrode and result in signal variation. This method showed excellent analytical performance for dsDNA, of which the linear range was 2fM to 500pM and the detection limit was 1.6fM (S/N=3). It also showed an good results when applied to the real sample of Wnt7B gene detection. Copyright © 2016 Elsevier B.V. All rights reserved.

Electrochemical force microscopy

DOEpatents

Kalinin, Sergei V.; Jesse, Stephen; Collins, Liam F.; Rodriguez, Brian J.

2017-01-10

A system and method for electrochemical force microscopy are provided. The system and method are based on a multidimensional detection scheme that is sensitive to forces experienced by a biased electrode in a solution. The multidimensional approach allows separation of fast processes, such as double layer charging, and charge relaxation, and slow processes, such as diffusion and faradaic reactions, as well as capturing the bias dependence of the response. The time-resolved and bias measurements can also allow probing both linear (small bias range) and non-linear (large bias range) electrochemical regimes and potentially the de-convolution of charge dynamics and diffusion processes from steric effects and electrochemical reactivity.

Sequestration of flue gas CO₂ by direct gas-solid carbonation of air pollution control system residues.

PubMed

Tian, Sicong; Jiang, Jianguo

2012-12-18

Direct gas-solid carbonation reactions of residues from an air pollution control system (APCr) were conducted using different combinations of simulated flue gas to study the impact on CO₂ sequestration. X-ray diffraction analysis of APCr determined the existence of CaClOH, whose maximum theoretical CO₂ sequestration potential of 58.13 g CO₂/kg APCr was calculated by the reference intensity ratio method. The reaction mechanism obeyed a model of a fast kinetics-controlled process followed by a slow product layer diffusion-controlled process. Temperature is the key factor in direct gas-solid carbonation and had a notable influence on both the carbonation conversion and the CO₂ sequestration rate. The optimal CO₂ sequestrating temperature of 395 °C was easily obtained for APCr using a continuous heating experiment. CO₂ content in the flue gas had a definite influence on the CO₂ sequestration rate of the kinetics-controlled process, but almost no influence on the final carbonation conversion. Typical concentrations of SO₂ in the flue gas could not only accelerate the carbonation reaction rate of the product layer diffusion-controlled process, but also could improve the final carbonation conversion. Maximum carbonation conversions of between 68.6% and 77.1% were achieved in a typical flue gas. Features of rapid CO₂ sequestration rate, strong impurities resistance, and high capture conversion for direct gas-solid carbonation were proved in this study, which presents a theoretical foundation for the applied use of this encouraging technology on carbon capture and storage.

Lateral flow devices

DOEpatents

Mazumdar, Debapriya; Liu, Juewen; Lu, Yi

2010-09-21

An analytical test for an analyte comprises (a) a base, having a reaction area and a visualization area, (b) a capture species, on the base in the visualization area, comprising nucleic acid, and (c) analysis chemistry reagents, on the base in the reaction area. The analysis chemistry reagents comprise (i) a substrate comprising nucleic acid and a first label, and (ii) a reactor comprising nucleic acid. The analysis chemistry reagents can react with a sample comprising the analyte and water, to produce a visualization species comprising nucleic acid and the first label, and the capture species can bind the visualization species.

(n,{gamma}) Experiments on tin isotopes

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

Baramsai, B.; Mitchell, G. E.; Walker, C. L.

2013-04-19

Neutron capture experiments on highly enriched {sup 117,119}Sn isotopes were performed with the DANCE detector array located at the Los Alamos Neutron Science Center. The DANCE detector provides detailed information about the multi-step {gamma}-ray cascade following neutron capture. Analysis of the experimental data provides important information to improve understanding of the neutron capture reaction, including a test of the statistical model, the assignment of spins and parities of neutron resonances, and information concerning the Photon Strength Function (PSF) and Level Density (LD) below the neutron separation energy. Preliminary results for the (n,{gamma}) reaction on {sup 117,119}Sn are presented. Resonance spinsmore » of the odd-A tin isotopes were almost completely unknown. Resonance spins and parities have been assigned via analysis of the multi-step {gamma}-ray spectra and directional correlations.« less

Survival Mediated Heavy Element Capture Cross Sections

NASA Astrophysics Data System (ADS)

Loveland, Walter; Yao, Larry

2017-11-01

Formally, the cross section for producing a heavy evaporation residue, σEVR, in a fusion reaction can be written as where E is the center of mass energy, and T is the probability of the colliding nuclei to overcome the potential barrier in the entrance channel and reach the contact point. PCN is the probability that the projectile-target system will evolve from the contact point to the compound nucleus. Wsur is the probability that the compound nucleus will decay to produce an evaporation residue rather than fissioning. However, one must remember that the Wsur term effectively sets the allowed values of the spin, which in turn, restricts the values of the capture and fusion cross sections. We point out the implications of this fact for capture cross sections for heavy element formation reactions.

Neutron capture measurement on {sup 173}Lu at LANSCE with DANCE detector

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

Theroine, C.; Ebran, A.; Meot, V.

2013-06-10

The (n,{gamma}) cross section on the unstable {sup 173}Lu(t{sub 1/2} = 1.37y) has been measured from thermal energy up to 200 eV at Los Alamos Neutron Science Center (LANSCE) with The Detector for Advanced Neutron Capture Experiements (DANCE). The main aim of this study is to validate and optimize reaction models for unstable nucleus. A preliminary capture yield will be presented in this paper.

Surface enhanced Raman spectroscopy based nanoparticle assays for rapid, point-of-care diagnostics

NASA Astrophysics Data System (ADS)

Driscoll, Ashley J.

Nucleotide and immunoassays are important tools for disease diagnostics. Many of the current laboratory-based analytical diagnostic techniques require multiple assay steps and long incubation times before results are acquired. In the development of bioassays designed for detecting the emergence and spread of diseases in point-of-care (POC) and remote settings, more rapid and portable analytical methods are necessary. Nanoparticles provide simple and reproducible synthetic methods for the preparation of substrates that can be applied in colloidal assays, providing gains in kinetics due to miniaturization and plasmonic substrates for surface enhanced spectroscopies. Specifically, surface enhanced Raman spectroscopy (SERS) is finding broad application as a signal transduction method in immunological and nucleotide assays due to the production of narrow spectral peaks from the scattering molecules and the potential for simultaneous multiple analyte detection. The application of SERS to a no-wash, magnetic capture assay for the detection of West Nile Virus Envelope and Rift Valley Fever Virus N antigens is described. The platform utilizes colloid based capture of the target antigen in solution, magnetic collection of the immunocomplexes and acquisition of SERS spectra by a handheld Raman spectrometer. The reagents for a core-shell nanoparticle, SERS based assay designed for the capture of target microRNA implicated in acute myocardial infarction are also characterized. Several new, small molecule Raman scatterers are introduced and used to analyze the enhancing properties of the synthesized gold coated-magnetic nanoparticles. Nucleotide and immunoassay platforms have shown improvements in speed and analyte capture through the miniaturization of the capture surface and particle-based capture systems can provide a route to further surface miniaturization. A reaction-diffusion model of the colloidal assay platform is presented to understand the interplay of system parameters such as particle diameter, initial analyte concentration and dissociation constants. The projected sensitivities over a broad range of assay conditions are examined and the governing regime of particle systems reported. The results provide metrics in the design of more robust analytics that are of particular interest for POC diagnostics.

Investigation of some biologically relevant redox reactions using electrochemical mass spectrometry interfaced by desorption electrospray ionization.

PubMed

Lu, Mei; Wolff, Chloe; Cui, Weidong; Chen, Hao

2012-04-01

Recently we have shown that, as a versatile ionization technique, desorption electrospray ionization (DESI) can serve as a useful interface to combine electrochemistry (EC) with mass spectrometry (MS). In this study, the EC/DESI-MS method has been further applied to investigate some aqueous phase redox reactions of biological significance, including the reduction of peptide disulfide bonds and nitroaromatics as well as the oxidation of phenothiazines. It was found that knotted/enclosed disulfide bonds in the peptides apamin and endothelin could be electrochemically cleaved. Subsequent tandem MS analysis of the resulting reduced peptide ions using collision-induced dissociation (CID) and electron-capture dissociation (ECD) gave rise to extensive fragment ions, providing a fast protocol for sequencing peptides with complicated disulfide bond linkages. Flunitrazepam and clonazepam, a class of nitroaromatic drugs, are known to undergo reduction into amines which was proposed to involve nitroso and N-hydroxyl intermediates. Now in this study, these corresponding intermediate ions were successfully intercepted and their structures were confirmed by CID. This provides mass spectrometric evidence for the mechanism of the nitro to amine conversion process during nitroreduction, an important redox reaction involved in carcinogenesis. In addition, the well-known oxidation reaction of chlorpromazine was also examined. The putative transient one-electron transfer product, the chlorpromazine radical cation (m/z 318), was captured by MS, for the first time, and its structure was also verified by CID. In addition to these observations, some features of the DESI-interfaced electrochemical mass spectrometry were discussed, such as simple instrumentation and the lack of background signal. These results further demonstrate the feasibility of EC/DESI-MS for the study of the biology-relevant redox chemistry and would find applications in proteomics and drug development research.

Target-catalyzed hairpin assembly and metal-organic frameworks mediated nonenzymatic co-reaction for multiple signal amplification detection of miR-122 in human serum.

PubMed

Li, Yuliang; Yu, Chao; Yang, Bo; Liu, Zhirui; Xia, Peiyuan; Wang, Qian

2018-04-15

Herein, a new type of multifunctional iron based metal-organic frameworks (PdNPs@Fe-MOFs) has been synthesized by assembly palladium nanoparticles on the surface of Fe-MIL-88NH 2 MOFs microcrystals, and first applied in electrochemical biosensor for ultrasensitive detection of microRNA-122 (miR-122, a biomarker of drug-induced liver injury). The nanohybrids have not only been utilized as ideal nanocarriers for immobilization of signal probes, but also used as redox probes and electrocatalysts. In this biosensor, two hairpin probes were designed as capture probes and signal probes, respectively. The nanohybrids conjugated with streptavidin and biotinylated signal probes were used as the tracer labels, target miR-122 was sandwiched between the tracer labels and thiol-terminated capture probes inserted in MCH monolayer on the gold nanoparticles-functionalized nitrogen-doped graphene sheets (AuNPs@N-G) modified electrode. Based on target-catalyzed hairpin assembly, target miR-122 could trigger the hybridization of capture probes and signal probes to further be released to initiate the next reaction process resulted in numerous tracer indicators anchored onto the sensing interfaces. Thus, the detection signal could be dramatically enhanced towards the electrocatalytic oxidation of 3,3',5,5'-tetramethylbenzidine in the presence of H 2 O 2 owing to the intrinsic and intriguing peroxidase-like activity of the nanohybrids. With the assist of target-catalyzed hairpin assembly and PdNPs@Fe-MOFs mimetic co-reaction for signal amplification, a wide detection range from 0.01fM to 10pM was achieved with a low detection limit of 0.003fM (S/N =3). Furthermore, the proposed biosensor exhibited excellent specificity and recovery in spiked serum samples, and was successfully used for detecting miR-122 in real biological samples, which provided a rapid and efficient method for detecting drug-induced liver injury at an early stage. Copyright © 2017. Published by Elsevier B.V.

Controlling Nitrosamines, Nitramines, and Amines in Amine-Based CO₂ Capture Systems with Continuous Ultraviolet and Ozone Treatment of Washwater.

PubMed

Dai, Ning; Mitch, William A

2015-07-21

Formation of nitrosamines and nitramines from reactions between flue gas NOx and the amines used in CO2 capture units has arisen as a significant concern. Washwater scrubbers can capture nitrosamines and nitramines. They can also capture amines, preventing formation of nitrosamines and nitramines downwind by amine reactions with ambient NOx. The continuous application of UV alone, or a combination of UV and ozone to the return line of a washwater treatment unit was evaluated to control the accumulation of nitrosamines, nitramines and amines in a laboratory-scale washwater unit. With model secondary amine solvents ranging from nonvolatile diethanolamine to volatile morpholine, application of 272-537 mJ/cm(2) UV incident fluence alone reduced the accumulation of nitrosamines and nitramines by approximately an order of magnitude. Modeling indicated that the gains achieved by UV treatment should increase over time, because UV treatment converts the time dependence of nitrosamine accumulation from a quadratic to a linear function. Ozone (21 mg/L) maintained low steady-state concentrations of amines in the washwater. While modeling indicated that more than 80% of nitrosamine accumulation in the washwater was associated with reaction of washwater amines with residual NOx, a reduction in nitrosamine accumulation rates due to ozone oxidation of amines was not fully realized because the ozonation products of amines reduced nitrosamine photolysis rates by competing for photons.

New quasibound states of the compound nucleus in α -particle capture by the nucleus

NASA Astrophysics Data System (ADS)

Maydanyuk, Sergei P.; Zhang, Peng-Ming; Zou, Li-Ping

2017-07-01

We generalize the theory of nuclear decay and capture of Gamow that is based on tunneling through the barrier and internal oscillations inside the nucleus. In our formalism an additional factor is obtained, which describes distribution of the wave function of the the α particle inside the nuclear region. We discover new most stable states (called quasibound states) of the compound nucleus (CN) formed during the capture of α particle by the nucleus. With a simple example, we explain why these states cannot appear in traditional calculations of the α capture cross sections based on monotonic penetrabilities of a barrier, but they appear in a complete description of the evolution of the CN. Our result is obtained by a complete description of the CN evolution, which has the advantages of (1) a clear picture of the formation of the CN and its disintegration, (2) a detailed quantum description of the CN, (3) tests of the calculated amplitudes based on quantum mechanics (not realized in other approaches), and (4) high accuracy of calculations (not achieved in other approaches). These peculiarities are shown with the capture reaction of α +44Ca . We predict quasibound energy levels and determine fusion probabilities for this reaction. The difference between our approach and theory of quasistationary states with complex energies applied for the α capture is also discussed. We show (1) that theory does not provide calculations for the cross section of α capture (according to modern models of the α capture), in contrast with our formalism, and (2) these two approaches describe different states of the α capture (for the same α -nucleus potential).

Capture and photonuclear reaction rates involving charged-particles: Impacts of nuclear ingredients and future measurement on ELI-NP

NASA Astrophysics Data System (ADS)

Xu, Y.; Goriely, S.; Balabanski, D. L.; Chesnevskaya, S.; Guardo, G. L.; La Cognata, M.; Lan, H. Y.; Lattuada, D.; Luo, W.; Matei, C.

2018-05-01

The astrophysical p-process is an important way of nucleosynthesis to produce the stable and proton-rich nuclei beyond Fe which can not be reached by the s- and r-processes. In the present study, the impact of nuclear ingredients, especially the nuclear potential, level density and strength function, to the astrophysical re-action rates of (p,γ), (α,γ), (γ,p), and (γ,α) reactions are systematically studied. The calculations are performed basad on the modern reaction code TALYS for about 3000 stable and proton-rich nuclei with 12≤Z≤110. In particular, both of the Wood-Saxon potential and the microscopic folding potential are taken into account. It is found that both the capture and photonuclear reaction rates are very sensitive to the nuclear potential, thus the better determination of nuclear potential would be important to reduce the uncertainties of reaction rates. Meanwhile, the Extreme Light Infrastructure-Nuclear Physics (ELI-NP) facility is being developed, which will provide the great opportunity to experimentally study the photonuclear reactions in p-process. Simulations of the experimental setup for the measurements of the photonuclear reactions 96Ru(γ,p) and 96Ru(γ,α) are performed. It is shown that the experiments of photonuclear reactions in p-process based on ELI-NP are quite promising.

Nanoparticle-labeled DNA capture elements for detection and identification of biological agents

NASA Astrophysics Data System (ADS)

Kiel, Johnathan L.; Holwitt, Eric A.; Parker, Jill E.; Vivekananda, Jeevalatha; Franz, Veronica

2004-12-01

Aptamers, synthetic DNA capture elements (DCEs), can be made chemically or in genetically engineered bacteria. DNA capture elements are artificial DNA sequences, from a random pool of sequences, selected for their specific binding to potential biological warfare or terrorism agents. These sequences were selected by an affinity method using filters to which the target agent was attached and the DNA isolated and amplified by polymerase chain reaction (PCR) in an iterative, increasingly stringent, process. The probes can then be conjugated to Quantum Dots and super paramagnetic nanoparticles. The former provide intense, bleach-resistant fluorescent detection of bioagent and the latter provide a means to collect the bioagents with a magnet. The fluorescence can be detected in a flow cytometer, in a fluorescence plate reader, or with a fluorescence microscope. To date, we have made DCEs to Bacillus anthracis spores, Shiga toxin, Venezuelan Equine Encephalitis (VEE) virus, and Francisella tularensis. DCEs can easily distinguish Bacillus anthracis from its nearest relatives, Bacillus cereus and Bacillus thuringiensis. Development of a high through-put process is currently being investigated.

Response of rat skin to boron neutron capture therapy with p-boronophenylalanine or borocaptate sodium.

PubMed

Morris, G M; Coderre, J A; Hopewell, J W; Micca, P L; Rezvani, M

1994-08-01

The effects of boron neutron capture irradiation employing either BPA or BSH as neutron capture agents has been assessed using the dorsal skin of Fischer 344 rats. Pharmacokinetic studies, using prompt gamma spectrometry, revealed comparable levels of boron-10 (10B) in blood and skin after the intravenous infusion of BSH (100 mg/kg body wt.). The 10B content of blood (12.0 +/- 0.5 micrograms/g) was slightly higher than that of skin (10.0 +/- 0.5 micrograms/g) after oral dosing with BPA. Biphasic skin reactions were observed after irradiation with the thermal neutron beam alone or in combination with BPA or BSH. The time of onset of the first phase of the skin reaction, moist desquamation, was approximately 2 weeks. The time at which the second-wave skin reaction, dermal necrosis, became evident was dose-related and occurred after a latent interval of > or = 24 weeks, well after the acute epithelial reaction had healed. The incidence of both phases of skin damage was also dose-related. The radiation doses required to produce skin damage in 50% of skin sites (ED50 values) were calculated from dose-effect curves and these values were used to determine relative biological effectiveness (RBE) and compound biological effectiveness (CBE) factors for both moist desquamation and dermal necrosis. It was concluded on the basis of these calculations that the microdistribution of the two neutron capture agents had a critical bearing on the overall biological effect after thermal neutron activation. BSH, which was possibly excluded from the cytoplasm of epidermal cells, had a low CBE factor value (0.56 +/- 0.06) while BPA, which may be selectively accumulated in epidermal cells had a very high CBE factor (3.74 +/- 0.7). For the dermal reaction, where vascular endothelial cells represent the likely target cell population, the CBE factor values were comparable, at 0.73 +/- 0.42 and 0.86 +/- 0.08 for BPA ad BSH, respectively.

Low Pt-content ternary PdCuPt nanodendrites: an efficient electrocatalyst for oxygen reduction reaction

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

Fu, Shaofang; Zhu, Chengzhou; Song, Junhua

2017-01-01

Dendritic nanostructures are capturing increasing attentions in electrocatalysis owing to their unique structural features and low density. Herein, we report for the first time bromide ions mediated synthesis of low-Pt-content PdCuPt ternary nanodendrites via galvanic replacement reaction between Pt precursor and PdCu template in aqueous solution. The experimental results show that the ternary PdCuPt nanodendrites present enhanced electrocatalytic performance for oxygen reduction reaction in acid solution compared with commercial Pt/C as well as some state-of-the-art catalysts. In details, the mass activity of the PdCuPt catalyst with optimized composition is 1.73 A/mgPt at 0.85 V vs RHE, which is 14 timesmore » higher than that of commercial Pt/C catalyst. Moreover, the long-term stability test demonstrates its better durability in acid solution. After 5k cycles, there is still 70% electrochemical surface area maintained. This method provides an efficient way to synthesize trimetallic alloys with controllable composition and specific structure for oxygen reduction reaction.« less

Enhanced Peroxidase-Like Performance of Gold Nanoparticles by Hot Electrons.

PubMed

Wang, Chen; Shi, Yi; Dan, Yuan-Yuan; Nie, Xing-Guo; Li, Jian; Xia, Xing-Hua

2017-05-17

Enzyme mimics have been widely used as alternatives to natural enzymes. However, the catalytic performances of enzyme mimics are often decreased due to different spatial structures or absence of functional groups compared to natural enzymes. Here, we report a highly efficient enzyme-like catalytic performance of gold nanoparticles (AuNPs) by visible-light stimulation. The enzyme-like reaction is evaluated by the catalytic reaction of AuNPs oxidizing a typical chromogenic substrate 3,3',5,5'-tetramethylbenzydine (TMB) with hydrogen peroxide as an oxidant. From investigations of the wavelength-dependent reaction rate, radical capture, hole-donor addition, and dark-field scattering spectroscopy experiments, it is revealed that the strong plasmonic absorption of AuNPs facilitates generation of hot electrons, which are transfered from AuNPs to the adsorbed reactant molecule, greatly promoting the catalytic performance of the enzyme-like catalytic reaction. The present work provides a simple method for improving the performance of enzyme mimics, which is expected to find further application in the field of plasmon-enhanced biocatalysis and biosensors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The AGB star nucleosynthesis in the light of the recent {sup 17}O(p,α){sup 14}N and {sup 18}O(p,α){sup 15}N reaction rate determinations

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

Palmerini, S.; Sergi, M. L.; La Cognata, M.

2015-02-24

Presolar grains form in the cold and dusty envelopes of Asymptotic Giant Branch (AGB) stars. These solides, once that have been ejected by stellar winds, come to us as inclusions in meteorites providing invaluable benchmarks and constraints for our knowledge of low temeperature H-burning in stars. The Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of the {sup 17}O(p,α){sup 14}N and {sup 18}O(p,α){sup 15}N reactions. Moreover, the strength of the 65 keV resonance in the {sup 17}O(p,α){sup 14}N reaction, measured by means of the THM, has been used to renormalize the corresponding resonance strength inmore » the {sup 17}O+p radiative capture channel. The new estimates of the reaction rates have been introduced into calculations of AGB star nucleosynthesis and the results have been compared with geochemical analysis of 'presolar' grains to determine their impact on astrophysical environments.« less

Satellite tagging and biopsy sampling of killer whales at subantarctic Marion Island: effectiveness, immediate reactions and long-term responses.

PubMed

Reisinger, Ryan R; Oosthuizen, W Chris; Péron, Guillaume; Cory Toussaint, Dawn; Andrews, Russel D; de Bruyn, P J Nico

2014-01-01

Remote tissue biopsy sampling and satellite tagging are becoming widely used in large marine vertebrate studies because they allow the collection of a diverse suite of otherwise difficult-to-obtain data which are critical in understanding the ecology of these species and to their conservation and management. Researchers must carefully consider their methods not only from an animal welfare perspective, but also to ensure the scientific rigour and validity of their results. We report methods for shore-based, remote biopsy sampling and satellite tagging of killer whales Orcinus orca at Subantarctic Marion Island. The performance of these methods is critically assessed using 1) the attachment duration of low-impact minimally percutaneous satellite tags; 2) the immediate behavioural reactions of animals to biopsy sampling and satellite tagging; 3) the effect of researcher experience on biopsy sampling and satellite tagging; and 4) the mid- (1 month) and long- (24 month) term behavioural consequences. To study mid- and long-term behavioural changes we used multievent capture-recapture models that accommodate imperfect detection and individual heterogeneity. We made 72 biopsy sampling attempts (resulting in 32 tissue samples) and 37 satellite tagging attempts (deploying 19 tags). Biopsy sampling success rates were low (43%), but tagging rates were high with improved tag designs (86%). The improved tags remained attached for 26±14 days (mean ± SD). Individuals most often showed no reaction when attempts missed (66%) and a slight reaction-defined as a slight flinch, slight shake, short acceleration, or immediate dive-when hit (54%). Severe immediate reactions were never observed. Hit or miss and age-sex class were important predictors of the reaction, but the method (tag or biopsy) was unimportant. Multievent trap-dependence modelling revealed considerable variation in individual sighting patterns; however, there were no significant mid- or long-term changes following biopsy sampling or tagging.

Role of nuclear reactions on stellar evolution of intermediate-mass stars

NASA Astrophysics Data System (ADS)

Möller, H.; Jones, S.; Fischer, T.; Martínez-Pinedo, G.

2018-01-01

The evolution of intermediate-mass stars (8 - 12 solar masses) represents one of the most challenging subjects in nuclear astrophysics. Their final fate is highly uncertain and strongly model dependent. They can become white dwarfs, they can undergo electron-capture or core-collapse supernovae or they might even proceed towards explosive oxygen burning and a subsequent thermonuclear explosion. We believe that an accurate description of nuclear reactions is crucial for the determination of the pre-supernova structure of these stars. We argue that due to the possible development of an oxygen-deflagration, a hydrodynamic description has to be used. We implement a nuclear reaction network with ∼200 nuclear species into the implicit hydrodynamic code AGILE. The reaction network considers all relevant nuclear electron captures and beta-decays. For selected relevant nuclear species, we include a set of updated reaction rates, for which we discuss the role for the evolution of the stellar core, at the example of selected stellar models. We find that the final fate of these intermediate-mass stars depends sensitively on the density threshold for weak processes that deleptonize the core.

Comparative Study on High-Order Positivity-preserving WENO Schemes

NASA Technical Reports Server (NTRS)

Kotov, Dmitry V.; Yee, Helen M.; Sjogreen, Bjorn Axel

2013-01-01

The goal of this study is to compare the results obtained by non-positivity-preserving methods with the recently developed positivity-preserving schemes for representative test cases. In particular the more di cult 3D Noh and Sedov problems are considered. These test cases are chosen because of the negative pressure/density most often exhibited by standard high-order shock-capturing schemes. The simulation of a hypersonic nonequilibrium viscous shock tube that is related to the NASA Electric Arc Shock Tube (EAST) is also included. EAST is a high-temperature and high Mach number viscous nonequilibrium ow consisting of 13 species. In addition, as most common shock-capturing schemes have been developed for problems without source terms, when applied to problems with nonlinear and/or sti source terms these methods can result in spurious solutions, even when solving a conservative system of equations with a conservative scheme. This kind of behavior can be observed even for a scalar case (LeVeque & Yee 1990) as well as for the case consisting of two species and one reaction (Wang et al. 2012). For further information concerning this issue see (LeVeque & Yee 1990; Griffiths et al. 1992; Lafon & Yee 1996; Yee et al. 2012). This EAST example indicated that standard high-order shock-capturing methods exhibit instability of density/pressure in addition to grid-dependent discontinuity locations with insufficient grid points. The evaluation of these test cases is based on the stability of the numerical schemes together with the accuracy of the obtained solutions.

Comparison of online reporting systems and their compatibility check with respective adverse drug reaction reporting forms

PubMed Central

Maharshi, Vikas; Nagar, Pravesh

2017-01-01

AIM: Different forms and online tools are available in different countries for spontaneous reporting, one of the most widely used methods of pharmacovigilance. Capturing sufficient information and adequate compatibility of online systems with respective reporting form is highly desirable for appropriate reporting of adverse drug reactions (ADRs). This study was aimed to compare three major online reporting systems (US, UK, and WHO) of the world and also to check their compatibility with the respective ADR reporting form. MATERIALS AND METHODS: A total of 89 data elements to provide relevant information were found out from above three online reporting systems. All three online systems were compared regarding magnitude of information captured by each of them and scoring was done by providing a score of “1” to each element. Compatibility of ADR reporting forms of India (Red form), US (Form 3500), and UK (Yellow card form) was assessed by comparing the information gathered by them with that can be entered into their respective online reporting systems, namely, “VigiFlow,” “US online reporting,” and “Yellow card online reporting.” Each unmatching item was given a score of “−1”. RESULTS: VigiFlow scored “74” points, whereas online reporting systems of the US and UK scored “56” and “49,” respectively, regarding magnitude of the information gathered by them. Compatibility score was found to be “0,” “−9,” and “−26” in case of ADR reporting systems of US, UK, and India, respectively. CONCLUSION: Our study reveals that “VigiFlow” is capable of capturing the maximum amount of information but “Form 3500” and “Online reporting system of US” are maximally compatible to each other among ADR reporting systems of all three countries. PMID:29515278

Incorporation of Alkylamine into Metal-Organic Frameworks through a Brønsted Acid-Base Reaction for CO2 Capture.

PubMed

Li, Hao; Wang, Kecheng; Feng, Dawei; Chen, Ying-Pin; Verdegaal, Wolfgang; Zhou, Hong-Cai

2016-10-06

The escalating atmospheric CO 2 concentration is one of the most urgent environmental concerns of our age. To effectively capture CO 2 , various materials have been studied. Among them, alkylamine-modified metal-organic frameworks (MOFs) are considered to be promising candidates. In most cases, alkylamine molecules are integrated into MOFs through the coordination bonds formed between open metal sites (OMSs) and amine groups. Thus, the alkylamine density, as well as the corresponding CO 2 uptake in MOFs, are severely restricted by the density of OMSs. To overcome this limit, other approaches to incorporating alkylamine into MOFs are highly desired. We have developed a new method based on Brønsted acid-base reaction to tether alkylamines into Cr-MIL-101-SO 3 H for CO 2 capture. A systematic optimization of the amine tethering process was also conducted to maximize the CO 2 uptake of the modified MOF. Under the optimal amine tethering condition, the obtained tris(2-aminoethyl)amine-functionalized Cr-MIL-101-SO 3 H (Cr-MIL-101-SO 3 H-TAEA) has a cyclic CO 2 uptake of 2.28 mmol g -1 at 150 mbar and 40 °C, and 1.12 mmol g -1 at 0.4 mbar and 20 °C. The low-cost starting materials and simple synthetic procedure for the preparation of Cr-MIL-101-SO 3 H-TAEA suggest that it has the potential for large-scale production and practical applications. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Feasibility of CO₂/SO₂ uptake enhancement of calcined limestone modified with rice husk ash during pressurized carbonation.

PubMed

Chen, Huichao; Zhao, Changsui; Ren, Qiangqiang

2012-01-01

The calcination/carbonation cycle using calcium-based sorbents appears to be a viable method for carbon dioxide (CO₂) capture from combustion gases. Recent attempts to improve the CO₂/SO₂ uptake of a calcium-based sorbent modified by using rice husk ash (RHA) in the hydration process have succeeded in enhancing its effectiveness. The optimal mole ratio of RHA to calcined limestone (M(Si/Ca)) was adjusted to 0.2. The cyclic CO₂ capture characteristics and the SO₂ uptake activity of the modified sorbent were evaluated in a calcination/pressurized carbonation reactor system. Scanning electron microscope (SEM) images and X-ray diffraction (XRD) spectrum of the sorbent were also taken to supplement the study. The results showed that the carbonation conversion was greatly increased for the sorbent with M(Si/Ca) ratio of 0.2. For this sorbent formulation the optimal operating conditions were 700-750 °C and 0.5-0.7 MPa. CO₂ absorption was not proportional to CO₂ concentration in the carbonation atmosphere, but was directly related to reaction time. The CO₂ uptake decreased in the presence of SO₂. SO₂ uptake increased, and the total calcium utilization was maintained over multiple cycles. Analysis has shown that the silicate component is evenly or well distributed, and this serves as a framework to prevent sintering, thus preserving the available microstructure for reaction. The sorbent also displayed high activity to SO₂ absorption and could be used to capture CO₂ and SO₂ simultaneously. Copyright © 2011 Elsevier Ltd. All rights reserved.

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

Benson, Steven; Envergex, Srivats; Browers, Bruce

Barr Engineering Co. was retained by the Institute for Energy Studies (IES) at University of North Dakota (UND) to conduct a technical and economic feasibility analysis of an innovative hybrid sorbent technology (CACHYS™) for carbon dioxide (CO2) capture and separation from coal combustion–derived flue gas. The project team for this effort consists of the University of North Dakota, Envergex LLC, Barr Engineering Co., and Solex Thermal Science, along with industrial support from Allete, BNI Coal, SaskPower, and the North Dakota Lignite Energy Council. An initial economic and feasibility study of the CACHYS™ concept, including definition of the process, development ofmore » process flow diagrams (PFDs), material and energy balances, equipment selection, sizing and costing, and estimation of overall capital and operating costs, is performed by Barr with information provided by UND and Envergex. The technology—Capture from Existing Coal-Fired Plants by Hybrid Sorption Using Solid Sorbents Capture (CACHYS™)—is a novel solid sorbent technology based on the following ideas: reduction of energy for sorbent regeneration, utilization of novel process chemistry, contactor conditions that minimize sorbent-CO2 heat of reaction and promote fast CO2 capture, and a low-cost method of heat management. The technology’s other key component is the use of a low-cost sorbent.« less

Surface modification of poly(dimethylsiloxane) (PDMS) microchannels with DNA capture-probes for potential use in microfluidic DNA analysis systems

NASA Astrophysics Data System (ADS)

Khodakov, Dmitriy A.; Thredgold, Leigh D.; Lenehan, Claire E.; Andersson, Gunther A.; Kobus, Hilton; Ellis, Amanda V.

2011-12-01

Poly(dimethylsiloxane) (PDMS) is an elastomeric material used for microfluidic devices and is especially suited to medical and forensic applications. This is due to its relatively low cost, ease of fabrication, excellent optical transmission characteristics and its ability to support electroosmotic flow, required during electrophoretic separations. These aspects combined with its large range of surface modification chemistries, make PDMS an attractive substrate in microfluidic devices for, in particular, DNA separation. Here, we report the successful wet chemical surface modification of PDMS microchannels using a simple three step method to produce an isothiocyanate-terminated surface. Initially, PDMS was oxygen plasma treated to produce a silanol-terminated surface, this was then reacted with 3-aminopropyltriethoxysilane with subsequent reaction of the now amine-terminated surface with p-phenylenediisothiocyanate. Water contact angle measurements both before and after modification showed a reduction in hydrophobicity from 101o for native PDMS to 94o for the isothiocyante-terminated PDMS. The isothiocyanate-terminated surface was then coupled with an amineterminated single-stranded DNA (ssDNA) oligonucleotide capture probe via a thiourea linkage. Confirmation of capture probe attachment was observed using fluorescent microscopy after hybridization of the capture probes with fluorescently labeled complimentary ssDNA oligonucleotides.

Fusion-fission and quasifission of superheavy systems with Z =110 -116 formed in 48Ca-induced reactions

NASA Astrophysics Data System (ADS)

Kozulin, E. M.; Knyazheva, G. N.; Itkis, I. M.; Itkis, M. G.; Bogachev, A. A.; Chernysheva, E. V.; Krupa, L.; Hanappe, F.; Dorvaux, O.; Stuttgé, L.; Trzaska, W. H.; Schmitt, C.; Chubarian, G.

2014-11-01

Background: In heavy-ion-induced reactions the mechanism leading to the formation of the compound nucleus and the role of quasifission is still not clear. Purpose: Investigation of the quasifission process of superheavy composite systems with Z =110 -116 and comparison with properties of fusion-fission and quasifission of lighter composite systems. Method: Mass and energy distributions of fissionlike fragments formed in the reactions 48Ca+232Th, 238U , 244Pu , and 248Cm at energies near the Coulomb barrier have been measured using the double-arm time-of-flight spectrometer CORSET at the U-400 cyclotron of the FLNR JINR. Results: The most probable fragment masses as well as total kinetic energies and their dispersions in dependence on the interaction energies and ion-target combinations have been studied for asymmetric and symmetric fragments formed in the reactions. The capture cross sections were obtained for the reactions 48Ca+244Pu and 248Cm . The lower limits for fission barriers of 283 -286Cn , 289 -292Fl , and 293 -296Lv compound nuclei were estimated. Conclusions: Analysis of the properties of symmetric fragments has shown that a significant part of these fragments may be attributed to fusion-fission process for the reactions 48Ca +238U , 244Pu , and 248Cm .

Student Perceptions of Online Tutoring Videos

ERIC Educational Resources Information Center

Sligar, Steven R.; Pelletier, Christopher D.; Bonner, Heidi Stone; Coghill, Elizabeth; Guberman, Daniel; Zeng, Xiaoming; Newman, Joyce J.; Muller, Dorothy; Dennis, Allen

2017-01-01

Online tutoring is made possible by using videos to replace or supplement face to face services. The purpose of this research was to examine student reactions to the use of lecture capture technology in a university tutoring setting and to assess student knowledge of some features of Tegrity lecture capture software. A survey was administered to…

A MECHANISTIC MODEL FOR MERCURY CAPTURE WITH IN-SITU GENERATED TITANIA PARTICLES: ROLE OF WATER VAPOR

EPA Science Inventory

A mechanistic model to predict the capture of gas phase mercury species using in-situ generated titania nanosize particles activated by UV irradiation is developed. The model is an extension of a recently reported model1 for photochemical reactions that accounts for the rates of...

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

Lai, Canhai; Xu, Zhijie; Li, Tingwen

In virtual design and scale up of pilot-scale carbon capture systems, the coupled reactive multiphase flow problem must be solved to predict the adsorber’s performance and capture efficiency under various operation conditions. This paper focuses on the detailed computational fluid dynamics (CFD) modeling of a pilot-scale fluidized bed adsorber equipped with vertical cooling tubes. Multiphase Flow with Interphase eXchanges (MFiX), an open-source multiphase flow CFD solver, is used for the simulations with custom code to simulate the chemical reactions and filtered models to capture the effect of the unresolved details in the coarser mesh for simulations with reasonable simulations andmore » manageable computational effort. Previously developed two filtered models for horizontal cylinder drag, heat transfer, and reaction kinetics have been modified to derive the 2D filtered models representing vertical cylinders in the coarse-grid CFD simulations. The effects of the heat exchanger configurations (i.e., horizontal or vertical) on the adsorber’s hydrodynamics and CO2 capture performance are then examined. The simulation result subsequently is compared and contrasted with another predicted by a one-dimensional three-region process model.« less

Multi-component removal in flue gas by aqua ammonia

DOEpatents

Yeh, James T [Bethel Park, PA; Pennline, Henry W [Bethel Park, PA

2007-08-14

A new method for the removal of environmental compounds from gaseous streams, in particular, flue gas streams. The new method involves first oxidizing some or all of the acid anhydrides contained in the gas stream such as sulfur dioxide (SO.sub.2) and nitric oxide (NO) and nitrous oxide (N.sub.2O) to sulfur trioxide (SO.sub.3) and nitrogen dioxide (NO.sub.2). The gas stream is subsequently treated with aqua ammonia or ammonium hydroxide which captures the compounds via chemical absorption through acid-base or neutralization reactions. The products of the reactions can be collected as slurries, dewatered, and dried for use as fertilizers, or once the slurries have been dewatered, used directly as fertilizers. The ammonium hydroxide can be regenerated and recycled for use via thermal decomposition of ammonium bicarbonate, one of the products formed. There are alternative embodiments which entail stoichiometric scrubbing of nitrogen oxides and sulfur oxides with subsequent separate scrubbing of carbon dioxide.

An iron-catalysed C-C bond-forming spirocyclization cascade providing sustainable access to new 3D heterocyclic frameworks

NASA Astrophysics Data System (ADS)

Adams, Kirsty; Ball, Anthony K.; Birkett, James; Brown, Lee; Chappell, Ben; Gill, Duncan M.; Lo, P. K. Tony; Patmore, Nathan J.; Rice, Craig. R.; Ryan, James; Raubo, Piotr; Sweeney, Joseph B.

2017-04-01

Heterocyclic architectures offer powerful creative possibilities to a range of chemistry end-users. This is particularly true of heterocycles containing a high proportion of sp3-carbon atoms, which confer precise spatial definition upon chemical probes, drug substances, chiral monomers and the like. Nonetheless, simple catalytic routes to new heterocyclic cores are infrequently reported, and methods making use of biomass-accessible starting materials are also rare. Here, we demonstrate a new method allowing rapid entry to spirocyclic bis-heterocycles, in which inexpensive iron(III) catalysts mediate a highly stereoselective C-C bond-forming cyclization cascade reaction using (2-halo)aryl ethers and amines constructed using feedstock chemicals readily available from plant sources. Fe(acac)3 mediates the deiodinative cyclization of (2-halo)aryloxy furfuranyl ethers, followed by capture of the intermediate metal species by Grignard reagents, to deliver spirocycles containing two asymmetric centres. The reactions offer potential entry to key structural motifs present in bioactive natural products.

An accelerator-based Boron Neutron Capture Therapy (BNCT) facility based on the 7Li(p,n)7Be

NASA Astrophysics Data System (ADS)

Musacchio González, Elizabeth; Martín Hernández, Guido

2017-09-01

BNCT (Boron Neutron Capture Therapy) is a therapeutic modality used to irradiate tumors cells previously loaded with the stable isotope 10B, with thermal or epithermal neutrons. This technique is capable of delivering a high dose to the tumor cells while the healthy surrounding tissue receive a much lower dose depending on the 10B biodistribution. In this study, therapeutic gain and tumor dose per target power, as parameters to evaluate the treatment quality, were calculated. The common neutron-producing reaction 7Li(p,n)7Be for accelerator-based BNCT, having a reaction threshold of 1880.4 keV, was considered as the primary source of neutrons. Energies near the reaction threshold for deep-seated brain tumors were employed. These calculations were performed with the Monte Carlo N-Particle (MCNP) code. A simple but effective beam shaping assembly (BSA) was calculated producing a high therapeutic gain compared to previously proposed facilities with the same nuclear reaction.

Extrapolation of astrophysical S factors for the reaction {sup 14}N((p, {gamma}) {sup 15}O to near-zero energies

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

Artemov, S. V.; Igamov, S. B., E-mail: igamov@inp.uz; Tursunmakhatov, Q. I.

2012-03-15

The astrophysical S factors for the radiative-capture reaction {sup 14}N(p, {gamma}){sup 15}O in the region of ultralow energies were calculated on the basis of the R-matrix approach. The values of the radiative and protonic widths were fitted to new experimental data. The contribution of direct radiative capture to bound states of the {sup 15}O nucleus was determined with the aid of asymptotic normalization coefficients, whose values were refined in the present study on the basis of the results obtained from an analysis of the reaction {sup 14}N({sup 3}He, d){sup 15}O at three different energies of incident helium ions. A valuemore » of S(0) = 1.79 {+-} 0.31 keV b was obtained for the total astrophysical S factor, and the reaction rate was determined for the process {sup 14}N(p, {gamma}){sup 15}O.« less

The Beta-Delayed Proton and Gamma Decay of 27P for Nuclear Astrophysics

NASA Astrophysics Data System (ADS)

McCleskey, E.; Banu, A.; McCleskey, M.; Roeder, B.; Saastamoinen, A.; Spiridon, A.; Trache, L.; Tribble, R. E.; Davinson, T.; Doherty, D.; Lotay, G. J.; Wallace, J.; Woods, P. J.

2013-10-01

The main creation site of 26Al is currently under debate. The reactions for its creation or destruction are also not completely known. When 26Al is created in novae, the reaction chain is: 24Mg(p,γ)25Al(β + v)25Mg(p,γ)26Al, but this chain can be by-passed by another chain: 25Al(p,γ)26Si(p,γ)27P and it can also be destroyed directly. Another way to by-pass it is through 26mAl(p,γ)27Si* which is dominated by resonant capture. Using the Momentum Achromat Recoil Spectrometer (MARS) at the Texas A&M Cyclotron Institute and inverse kinematics, this destruction reaction was studied by the beta-delayed proton and gamma decay of 27P. Due to selection rules, states populated above the proton threshold in the compound system (27Si*) can decay to 26mAl, which are the states of interest for the capture reaction. James Madison University, VA, USA.

Programmable Potentials: Approximate N-body potentials from coarse-level logic.

PubMed

Thakur, Gunjan S; Mohr, Ryan; Mezić, Igor

2016-09-27

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the "coefficients" of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out.

Programmable Potentials: Approximate N-body potentials from coarse-level logic

NASA Astrophysics Data System (ADS)

Thakur, Gunjan S.; Mohr, Ryan; Mezić, Igor

2016-09-01

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the “coefficients” of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out.

Programmable Potentials: Approximate N-body potentials from coarse-level logic

PubMed Central

Thakur, Gunjan S.; Mohr, Ryan; Mezić, Igor

2016-01-01

This paper gives a systematic method for constructing an N-body potential, approximating the true potential, that accurately captures meso-scale behavior of the chemical or biological system using pairwise potentials coming from experimental data or ab initio methods. The meso-scale behavior is translated into logic rules for the dynamics. Each pairwise potential has an associated logic function that is constructed using the logic rules, a class of elementary logic functions, and AND, OR, and NOT gates. The effect of each logic function is to turn its associated potential on and off. The N-body potential is constructed as linear combination of the pairwise potentials, where the “coefficients” of the potentials are smoothed versions of the associated logic functions. These potentials allow a potentially low-dimensional description of complex processes while still accurately capturing the relevant physics at the meso-scale. We present the proposed formalism to construct coarse-grained potential models for three examples: an inhibitor molecular system, bond breaking in chemical reactions, and DNA transcription from biology. The method can potentially be used in reverse for design of molecular processes by specifying properties of molecules that can carry them out. PMID:27671683

Detection of Helicobacter Pylori Genome with an Optical Biosensor Based on Hybridization of Urease Gene with a Gold Nanoparticles-Labeled Probe

NASA Astrophysics Data System (ADS)

Shahrashoob, M.; Mohsenifar, A.; Tabatabaei, M.; Rahmani-Cherati, T.; Mobaraki, M.; Mota, A.; Shojaei, T. R.

2016-05-01

A novel optics-based nanobiosensor for sensitive determination of the Helicobacter pylori genome using a gold nanoparticles (AuNPs)-labeled probe is reported. Two specific thiol-modified capture and signal probes were designed based on a single-stranded complementary DNA (cDNA) region of the urease gene. The capture probe was immobilized on AuNPs, which were previously immobilized on an APTES-activated glass, and the signal probe was conjugated to different AuNPs as well. The presence of the cDNA in the reaction mixture led to the hybridization of the AuNPs-labeled capture probe and the signal probe with the cDNA, and consequently the optical density of the reaction mixture (AuNPs) was reduced proportionally to the cDNA concentration. The limit of detection was measured at 0.5 nM.

Prompt gamma and neutron detection in BNCT utilizing a CdTe detector.

PubMed

Winkler, Alexander; Koivunoro, Hanna; Reijonen, Vappu; Auterinen, Iiro; Savolainen, Sauli

2015-12-01

In this work, a novel sensor technology based on CdTe detectors was tested for prompt gamma and neutron detection using boronated targets in (epi)thermal neutron beam at FiR1 research reactor in Espoo, Finland. Dedicated neutron filter structures were omitted to enable simultaneous measurement of both gamma and neutron radiation at low reactor power (2.5 kW). Spectra were collected and analyzed in four different setups in order to study the feasibility of the detector to measure 478 keV prompt gamma photons released from the neutron capture reaction of boron-10. The detector proved to have the required sensitivity to detect and separate the signals from both boron neutron and cadmium neutron capture reactions, which makes it a promising candidate for monitoring the spatial and temporal development of in vivo boron distribution in boron neutron capture therapy. Copyright © 2015 Elsevier Ltd. All rights reserved.

FY07 LDRD Final Report Neutron Capture Cross-Section Measurements at DANCE

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

Parker, W; Agvaanluvsan, U; Wilk, P

2008-02-08

We have measured neutron capture cross sections intended to address defense science problems including mix and the Quantification of Margins and Uncertainties (QMU), and provide details about statistical decay of excited nuclei. A major part of this project included developing the ability to produce radioactive targets. The cross-section measurements were made using the white neutron source at the Los Alamos Neutron Science Center, the detector array called DANCE (The Detector for Advanced Neutron Capture Experiments) and targets important for astrophysics and stockpile stewardship. DANCE is at the leading edge of neutron capture physics and represents a major leap forward inmore » capability. The detector array was recently built with LDRD money. Our measurements are a significant part of the early results from the new experimental DANCE facility. Neutron capture reactions are important for basic nuclear science, including astrophysics and the statistics of the {gamma}-ray cascades, and for applied science, including stockpile science and technology. We were most interested in neutron capture with neutron energies in the range between 1 eV and a few hundred keV, with targets important to basic science, and the s-process in particular. Of particular interest were neutron capture cross-section measurements of rare isotopes, especially radioactive isotopes. A strong collaboration between universities and Los Alamos due to the Academic Alliance was in place at the start of our project. Our project gave Livermore leverage in focusing on Livermore interests. The Lawrence Livermore Laboratory did not have a resident expert in cross-section measurements; this project allowed us to develop this expertise. For many radionuclides, the cross sections for destruction, especially (n,{gamma}), are not well known, and there is no adequate model that describes neutron capture. The modeling problem is significant because, at low energies where capture reactions are important, the neutron reaction cross sections show resonance behavior or follow 1/v of the incident neutrons. In the case of odd-odd nuclei, the modeling problem is particularly difficult because degenerate states (rotational bands) present in even-even nuclei have separated in energy. Our work included interpretation of the {gamma}-ray spectra to compare with the Statistical Model and provides information on level density and statistical decay. Neutron capture cross sections are of programmatic interest to defense sciences because many elements were added to nuclear devices in order to determine various details of the nuclear detonation, including fission yields, fusion yields, and mix. Both product nuclei created by (n,2n) reactions and reactant nuclei are transmuted by neutron capture during the explosion. Very few of the (n,{gamma}) cross sections for reactions that create products measured by radiochemists have ever been experimentally determined; most are calculated by radiochemical equivalences. Our new experimentally measured capture cross sections directly impact our knowledge about the uncertainties in device performances, which enhances our capability of carrying out our stockpile stewardship program. Europium and gadolinium cross sections are important for both astrophysics and defense programs. Measurements made prior to this project on stable europium targets differ by 30-40%, which was considered to be significantly disparate. Of the gadolinium isotopes, {sup 151}Gd is important for stockpile stewardship, and {sup 153}Gd is of high interest to astrophysics, and nether of these (radioactive) gadolinium (n,{gamma}) cross sections have been measured. Additional stable gadolinium isotopes, including {sup 157,160}Gd are of interest to astrophysics. Historical measurements of gadolinium isotopes, including {sup 152,154}Gd, had disagreements similar to the 30-40% disagreements found in the historical europium data. Actinide capture cross section measurements are important for both Stockpile Stewardship and for nuclear forensics. We focused on the {sup 242m}Am(n,{gamma}) measurement, as there was no existing capture measurement for this isotope. The cross-section measurements (cross section vs. E{sub n}) were made at the Detector for Advanced Neutron Capture Experiments. DANCE is comprised of a highly segmented array of barium fluoride (BaF{sub 2}) crystals specifically designed for neutron capture-gamma measurements, using small radioactive targets (less than one milligram). A picture of half the array, along with a photo of one crystal, is shown in Fig. 1. DANCE provides the world's leading capability for measurements of neutron capture cross sections with radioactive targets. The DANCE is a 4{pi} calorimeter and uses the intense spallation neutron source the Lujan Center at the Los Alamos National Laboratory. The detector array consists of 159 barium fluoride crystals arranged in a sphere around the target.« less

Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics.

PubMed

Lin, Yen Ting; Chylek, Lily A; Lemons, Nathan W; Hlavacek, William S

2018-06-21

The chemical kinetics of many complex systems can be concisely represented by reaction rules, which can be used to generate reaction events via a kinetic Monte Carlo method that has been termed network-free simulation. Here, we demonstrate accelerated network-free simulation through a novel approach to equation-free computation. In this process, variables are introduced that approximately capture system state. Derivatives of these variables are estimated using short bursts of exact stochastic simulation and finite differencing. The variables are then projected forward in time via a numerical integration scheme, after which a new exact stochastic simulation is initialized and the whole process repeats. The projection step increases efficiency by bypassing the firing of numerous individual reaction events. As we show, the projected variables may be defined as populations of building blocks of chemical species. The maximal number of connected molecules included in these building blocks determines the degree of approximation. Equation-free acceleration of network-free simulation is found to be both accurate and efficient.

Radiative capture of cold neutrons by protons and deuteron photodisintegration with twisted beams

NASA Astrophysics Data System (ADS)

Afanasev, Andrei; Serbo, Valeriy G.; Solyanik, Maria

2018-05-01

We consider two basic nuclear reactions: capture of neutrons by protons, n + p → γ + d, and its time-reversed counterpart, photodisintegration of the deuteron, γ + d → n + p. In both of these cases we assume that the incoming beam of neutrons or photons is ‘twisted’ by having an azimuthal phase dependence, i.e., it carries an additional angular momentum along its direction of propagation. Taking a low-energy limit of these reactions, we derive relations between corresponding transition amplitudes and cross sections with plane-wave beams and twisted beams. Implications for experiments with twisted cold neutrons and twisted photon beams are discussed.

Observation of low-lying resonances in the quasicontinuum of 195,196Pt and enhanced astrophysical reaction rates

DOE PAGES

Giacoppo, F.; Bello Garrote, F. L.; Eriksen, T. K.; ...

2015-05-28

An excess of strength on the low-energy tail of the giant dipole resonance recently has been observed in the γ-decay from the quasicontinuum of 195,196Pt. The nature of this phenomenon is not yet fully investigated. If this feature is present also in the γ-ray strength of the neutron-rich isotopes, it can affect the neutron-capture reactions involved in the formation of heavy-elements in stellar nucleosynthesis. The experimental level density and γ-ray strength function of 195,196Pt are presented together with preliminary calculations of the corresponding neutron-capture cross sections.

When spiders appear suddenly: spider-phobic patients are distracted by task-irrelevant spiders.

PubMed

Gerdes, Antje B M; Alpers, Georg W; Pauli, Paul

2008-02-01

Fear is thought to facilitate the detection of threatening stimuli. Few studies have examined the effects of task-irrelevant phobic cues in search tasks that do not involve semantic categorization. In a combined reaction time and eye-tracking experiment we investigated whether peripheral visual cues capture initial attention and distract from the execution of goal-directed eye movements. Twenty-one spider-phobic patients and 21 control participants were instructed to search for a color singleton while ignoring task-irrelevant abrupt-onset distractors which contained either a small picture of a spider (phobic), a flower (non-phobic, but similar to spiders in shape), a mushroom (non-phobic, and not similar to spiders in shape), or no picture. As expected, patients' reaction times were longer on trials with spider distractors. However, eye movements revealed that this was not due to attentional capture by spider distractors; patients more often fixated on all distractors with pictures, but their reaction times were delayed by longer fixation durations on spider distractors. These data do not support automatic capture of attention by phobic cues but suggest that phobic patients fail to disengage attention from spiders.

Neutron capture reactions in astrophysics

NASA Astrophysics Data System (ADS)

Käppeler, F.

1985-01-01

About 2/3 of the chemical elements in nature were formed in neutron capture reactions. During the life of a star there are certain evolutionary stages where neutrons are available to build up the elements beyond iron which cannot be synthesized by charged particle reactions. The observed abundance pattern allows to distinguish a rapid and a slow neutron capture process (r- and s-process). The r-process taking place far from the valley of stability is difficult to investigate because of the required extrapolation of nuclear properties to extreme neutron rich nuclei. The s-process, on the other hand, proceeds along the valley of stability. Therefore, the involved isotopes are accessible to laboratory measurements. This information allows for quantitative calculation of s-process abundances and other parameters which represent constraints for stellar models. Two examples are outlined: (i) the s-process branching at A=147, 148 yields a rather accurate value for the neutron density. (ii) Comparison of s-process abundances with observations of stellar atmospheres are particularly interesting for the unstable isotopes 93Zr, 99Tc and 147Pm. Their deficiency with respect to stable neighbors may yield estimates for the transport time from the stellar interior to the surface.

Improved high-throughput quantification of luminescent microplate assays using a common Western-blot imaging system.

PubMed

Hawkins, Liam J; Storey, Kenneth B

2017-01-01

Common Western-blot imaging systems have previously been adapted to measure signals from luminescent microplate assays. This can be a cost saving measure as Western-blot imaging systems are common laboratory equipment and could substitute a dedicated luminometer if one is not otherwise available. One previously unrecognized limitation is that the signals captured by the cameras in these systems are not equal for all wells. Signals are dependent on the angle of incidence to the camera, and thus the location of the well on the microplate. Here we show that: •The position of a well on a microplate significantly affects the signal captured by a common Western-blot imaging system from a luminescent assay.•The effect of well position can easily be corrected for.•This method can be applied to commercially available luminescent assays, allowing for high-throughput quantification of a wide range of biological processes and biochemical reactions.

Solar Neutrinos

DOE R&D Accomplishments Database

Davis, R. Jr.; Harmer, D. S.

1964-12-01

The prospect of studying the solar energy generation process directly by observing the solar neutrino radiation has been discussed for many years. The main difficulty with this approach is that the sun emits predominantly low energy neutrinos, and detectors for observing low fluxes of low energy neutrinos have not been developed. However, experimental techniques have been developed for observing neutrinos, and one can foresee that in the near future these techniques will be improved sufficiently in sensitivity to observe solar neutrinos. At the present several experiments are being designed and hopefully will be operating in the next year or so. We will discuss an experiment based upon a neutrino capture reaction that is the inverse of the electron-capture radioactive decay of argon-37. The method depends upon exposing a large volume of a chlorine compound, removing the radioactive argon-37 and observing the characteristic decay in a small low-level counter.

Capture cross sections on unstable nuclei

NASA Astrophysics Data System (ADS)

Tonchev, A. P.; Escher, J. E.; Scielzo, N.; Bedrossian, P.; Ilieva, R. S.; Humby, P.; Cooper, N.; Goddard, P. M.; Werner, V.; Tornow, W.; Rusev, G.; Kelley, J. H.; Pietralla, N.; Scheck, M.; Savran, D.; Löher, B.; Yates, S. W.; Crider, B. P.; Peters, E. E.; Tsoneva, N.; Goriely, S.

2017-09-01

Accurate neutron-capture cross sections on unstable nuclei near the line of beta stability are crucial for understanding the s-process nucleosynthesis. However, neutron-capture cross sections for short-lived radionuclides are difficult to measure due to the fact that the measurements require both highly radioactive samples and intense neutron sources. Essential ingredients for describing the γ decays following neutron capture are the γ-ray strength function and level densities. We will compare different indirect approaches for obtaining the most relevant observables that can constrain Hauser-Feshbach statistical-model calculations of capture cross sections. Specifically, we will consider photon scattering using monoenergetic and 100% linearly polarized photon beams. Challenges that exist on the path to obtaining neutron-capture cross sections for reactions on isotopes near and far from stability will be discussed.

Neutron Capture Experiments Using the DANCE Array at Los Alamos

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

Dashdorj, D.; MonAme Scientific Research Center, Ulaanbaatar; Mitchell, G. E.

2009-03-31

The Detector for Advanced Neutron Capture Experiments (DANCE) is designed for neutron capture measurements on very small and/or radioactive targets. The DANCE array of 160 BaF{sub 2} scintillation detectors is located at the Lujan Center at the Los Alamos Neutron Science Center (LANSCE). Accurate measurements of neutron capture data are important for many current applications as well as for basic understanding of neutron capture. The gamma rays following neutron capture reactions have been studied by the time-of-flight technique using the DANCE array. The high granularity of the array allows measurements of the gamma-ray multiplicity. The gamma-ray multiplicities and energy spectramore » for different multiplicities can be measured and analyzed for spin and parity determination of the resolved resonances.« less

Measurement of the 21Na(p,{gamma})22Mg Reaction with the Dragon Facility at TRIUMF-ISAC

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

Chen, A.A.; Bishop, S.; D'Auria, J.M.

2003-08-26

The DRAGON recoil separator facility, designed to measure the rates of radiative proton and alpha capture reactions important for nuclear astrophysics, is now operational at the TRIUMF-ISAC radioactive beam facility in Vancouver, Canada. We report on first measurements of the 21Na(p,{gamma})22Mg reaction rate with radioactive beams of 21Na.

Production of Monoclonal Antibody Against Excretory-Secretory Antigen of Fasciola hepatica and Evaluation of Its Efficacy in the Diagnosis of Fascioliasis.

PubMed

Abdolahi Khabisi, Samaneh; Sarkari, Bahador; Moshfe, Abdolali; Jalali, Sedigheh

2017-02-01

Parasitological methods are not helpful for the diagnosis of fascioliasis in acute and invasive periods of the disease. Detection of coproantigens seems to be a suitable alternative approach in the diagnosis of fascioliasis. The present study aimed to develop a reliable antigen detection system, using monoclonal antibodies raised against excretory-secretory (ES) antigen of Fasciola hepatica, for the diagnosis of fascioliasis. Fasciola adult worms were collected from the bile ducts of infected animals. Species of the fluke was determined by polymerase chain reaction-restriction fragment length polymorphism (RFLP-PCR). ES antigen of F. hepatica was prepared. For production of monoclonal antibodies, mice were immunized with ES antigens of F. hepatica. Spleen cells from the immunized mice were fused with NS-1 myeloma cells, using polyethylene glycol. Hybridoma cells secreting specific antibody were expanded and cloned by limiting dilution. Moreover, polyclonal antibody was produced against F. hepatica ES antigen in rabbits. A capture enzyme-linked immunosorbent assay (ELISA) system, using produced monoclonal antibody, was designed and stool samples of infected animals along with control samples were tested by the system. The capture ELISA detected the coproantigen in 27 of 30 (90%) parasitologically confirmed fascioliasis cases, while 4 of 39 (10.25%) samples infected with other parasitic infections showed a positive reaction in this system. No positive reactivity was found with healthy control samples. Accordingly, sensitivity of 90% and specificity of 94.2% were obtained for the capture ELISA system. The results were compared with those obtained with commercial BIO-X ELISA, and a very good (kappa = 0.9) agreement was found between the commercial kit and the developed capture ELISA. Findings of this study showed that the produced monoclonal antibody has appropriate performance for the detection of Fasciola coproantigen in stool samples and can be appropriately used for the diagnosis of fascioliasis.

Advances in Field Deployable Instrumented Particles for the Study of Alluvial Transport Mechanisms

NASA Astrophysics Data System (ADS)

Dillon, B.; Strom, K.

2017-12-01

Advances in microelectromechanical systems (MEMs) in the past decade have lead to the development of various instrumented or "smart" particles for use in the study of alluvial transport. The goal of many of these devices is to collect data on the interaction between hydrodynamic turbulence and individual sediment particles. Studying this interaction provides a basis to better understand entrainment and deposition processes which leads to better predictive morphologic and transport models. In collecting data on these processes, researchers seek to capture the time history of the forces incident on the particle and the particle's reaction. Many methods have been employed to capture this data - miniaturized pressure traps, accelerometers, gyroscopes, MEMs pressure transducers, and cantilevered load cells. However no system to date has been able to capture the pressure forces incident on the particle and its reaction while remaining mobile and of a size and density comparable to most gravels. Advances in the development, deployment, and use of waterproofed laboratory instrumentation have led our research group to develop such a particle. This particle has been used in both laboratory settings and large-scale fluvial environments (coupled with a field-deployable PIV system) to capture data on turbulent erosion processes. This system advances the practice in several ways: 1) It is, at present, the smallest (⌀ 19mm) instrumented erodible particle reported in the literature. 2) It contains novel developments in pressure sensing technology which allow the inclusion of six pressure ports, a 3-axis accelerometer, and a 1-axis gyroscope - all of which can be recorded simultaneously. 3) It expands the researcher's abilities to gather data on phenomena that, previously, have mandated the use of a laboratory scale model. The use of this system has generated observations of the so-called very large scale motions (VLSMs) in a reach of the Virginia section of the New River. Their effects on erosional processes are presented.

Thermodynamic Properties of CO{sub 2} Capture Reaction by Solid Sorbents: Theoretical Predictions and Experimental Validations

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

Duan, Yuhua; Luebke, David; Pennline, Henry

2012-01-01

It is generally accepted that current technologies for capturing CO{sub 2} are still too energy intensive. Hence, there is a critical need for development of new materials that can capture CO{sub 2} reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO{sub 2} capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO{sub 2} sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculatedmore » thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO{sub 2} adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO{sub 2} capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. These CO{sub 2} sorbent candidates were further considered for experimental validations. In this presentation, we first introduce our screening methodology with validating by solid dataset of alkali and alkaline metal oxides, hydroxides and bicarbonates which thermodynamic properties are available. Then, by studying a series of lithium silicates, we found that by increasing the Li{sub 2}O/SiO{sub 2} ratio in the lithium silicates their corresponding turnover temperatures for CO{sub 2} capture reactions can be increased. Compared to anhydrous K{sub 2}CO{sub 3}, the dehydrated K{sub 2}CO{sub 3}1.5H{sub 2}O can only be applied for post-combustion CO{sub 2} capture technology at temperatures lower than its phase transition (to anhydrous phase) temperature, which depends on the CO{sub 2} pressure and the steam pressure with the best range being PH{sub 2}O≤1.0 bar. Above the phase-transition temperature, the sorbent will be regenerated into anhydrous K{sub 2}CO{sub 3}. Our theoretical investigations on Na-promoted MgO sorbents revealed that the sorption process takes place through formation of the Na{sub 2}Mg(CO{sub 3}){sub 2} double carbonate with better reaction kinetics over porous MgO, that of pure MgO sorbent. The experimental sorption tests also indicated that the Na-promoted MgO sorbent has high reactivity and capacity towards CO{sub 2} sorption and can be easily regenerated either through pressure or temperature swing processes.« less

Chemical Synthesis of Circular Proteins*

PubMed Central

Tam, James P.; Wong, Clarence T. T.

2012-01-01

Circular proteins, once thought to be rare, are now commonly found in plants. Their chemical synthesis, once thought to be difficult, is now readily achievable. The enabling methodology is largely due to the advances in entropic chemical ligation to overcome the entropy barrier in coupling the N- and C-terminal ends of large peptide segments for either intermolecular ligation or intramolecular ligation in end-to-end cyclization. Key elements of an entropic chemical ligation consist of a chemoselective capture step merging the N and C termini as a covalently linked O/S-ester intermediate to permit the subsequent step of an intramolecular O/S-N acyl shift to form an amide. Many ligation methods exploit the supernucleophilicity of a thiol side chain at the N terminus for the capture reaction, which makes cysteine-rich peptides ideal candidates for the entropy-driven macrocyclization. Advances in desulfurization and modification of the thiol-containing amino acids at the ligation sites to other amino acids add extra dimensions to the entropy-driven ligation methods. This minireview describes recent advances of entropy-driven ligation to prepare circular proteins with or without a cysteinyl side chain. PMID:22700959

Portable Microfluidic Integrated Plasmonic Platform for Pathogen Detection

PubMed Central

Tokel, Onur; Yildiz, Umit Hakan; Inci, Fatih; Durmus, Naside Gozde; Ekiz, Okan Oner; Turker, Burak; Cetin, Can; Rao, Shruthi; Sridhar, Kaushik; Natarajan, Nalini; Shafiee, Hadi; Dana, Aykutlu; Demirci, Utkan

2015-01-01

Timely detection of infectious agents is critical in early diagnosis and treatment of infectious diseases. Conventional pathogen detection methods, such as enzyme linked immunosorbent assay (ELISA), culturing or polymerase chain reaction (PCR) require long assay times, and complex and expensive instruments, which are not adaptable to point-of-care (POC) needs at resource-constrained as well as primary care settings. Therefore, there is an unmet need to develop simple, rapid, and accurate methods for detection of pathogens at the POC. Here, we present a portable, multiplex, inexpensive microfluidic-integrated surface plasmon resonance (SPR) platform that detects and quantifies bacteria, i.e., Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus) rapidly. The platform presented reliable capture and detection of E. coli at concentrations ranging from ~105 to 3.2 × 107 CFUs/mL in phosphate buffered saline (PBS) and peritoneal dialysis (PD) fluid. The multiplexing and specificity capability of the platform was also tested with S. aureus samples. The presented platform technology could potentially be applicable to capture and detect other pathogens at the POC and primary care settings. PMID:25801042

QUANTITATIVE MASS SPECTROMETRIC ANALYSIS OF GLYCOPROTEINS COMBINED WITH ENRICHMENT METHODS

PubMed Central

Ahn, Yeong Hee; Kim, Jin Young; Yoo, Jong Shin

2015-01-01

Mass spectrometry (MS) has been a core technology for high sensitive and high-throughput analysis of the enriched glycoproteome in aspects of quantitative assays as well as qualitative profiling of glycoproteins. Because it has been widely recognized that aberrant glycosylation in a glycoprotein may involve in progression of a certain disease, the development of efficient analysis tool for the aberrant glycoproteins is very important for deep understanding about pathological function of the glycoprotein and new biomarker development. This review first describes the protein glycosylation-targeting enrichment technologies mainly employing solid-phase extraction methods such as hydrizide-capturing, lectin-specific capturing, and affinity separation techniques based on porous graphitized carbon, hydrophilic interaction chromatography, or immobilized boronic acid. Second, MS-based quantitative analysis strategies coupled with the protein glycosylation-targeting enrichment technologies, by using a label-free MS, stable isotope-labeling, or targeted multiple reaction monitoring (MRM) MS, are summarized with recent published studies. © 2014 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc. Rapid Commun. Mass Spec Rev 34:148–165, 2015. PMID:24889823

Using laser capture microdissection to study fiber specific signaling in locomotor muscle in COPD: A pilot study.

PubMed

Mohan, Divya; Lewis, Amy; Patel, Mehul S; Curtis, Katrina J; Lee, Jen Y; Hopkinson, Nicholas S; Wilkinson, Ian B; Kemp, Paul R; Polkey, Michael I

2017-06-01

Quadriceps dysfunction is important in chronic obstructive pulmonary disease (COPD), with an associated increased proportion of type II fibers. Investigation of protein synthesis and degradation has yielded conflicting results, possibly due to study of whole biopsy samples, whereas signaling may be fiber-specific. Our objective was to develop a method for fiber-specific gene expression analysis. 12 COPD and 6 healthy subjects underwent quadriceps biopsy. Cryosections were immunostained for type II fibers, which were separated using laser capture microdissection (LCM). Whole muscle and different fiber populations were subject to quantitative polymerase chain reaction. Levels of muscle-RING-finger-protein-1 and Atrogin-1 were lower in type II fibers of COPD versus healthy subjects (P = 0.02 and P = 0.03, respectively), but differences were not apparent in whole muscle or type I fibers. We describe a novel method for studying fiber-specific gene expression in optimum cutting temperature compound-embedded muscle specimens. LCM offers a more sensitive way to identify molecular changes in COPD muscle. Muscle Nerve 55: 902-912, 2017. © 2016 Wiley Periodicals, Inc.

Effect of nonlinearity in hybrid kinetic Monte Carlo-continuum models.

PubMed

Balter, Ariel; Lin, Guang; Tartakovsky, Alexandre M

2012-01-01

Recently there has been interest in developing efficient ways to model heterogeneous surface reactions with hybrid computational models that couple a kinetic Monte Carlo (KMC) model for a surface to a finite-difference model for bulk diffusion in a continuous domain. We consider two representative problems that validate a hybrid method and show that this method captures the combined effects of nonlinearity and stochasticity. We first validate a simple deposition-dissolution model with a linear rate showing that the KMC-continuum hybrid agrees with both a fully deterministic model and its analytical solution. We then study a deposition-dissolution model including competitive adsorption, which leads to a nonlinear rate, and show that in this case the KMC-continuum hybrid and fully deterministic simulations do not agree. However, we are able to identify the difference as a natural result of the stochasticity coming from the KMC surface process. Because KMC captures inherent fluctuations, we consider it to be more realistic than a purely deterministic model. Therefore, we consider the KMC-continuum hybrid to be more representative of a real system.

Effect of Nonlinearity in Hybrid Kinetic Monte Carlo-Continuum Models

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

Balter, Ariel I.; Lin, Guang; Tartakovsky, Alexandre M.

2012-04-23

Recently there has been interest in developing efficient ways to model heterogeneous surface reactions with hybrid computational models that couple a KMC model for a surface to a finite difference model for bulk diffusion in a continuous domain. We consider two representative problems that validate a hybrid method and also show that this method captures the combined effects of nonlinearity and stochasticity. We first validate a simple deposition/dissolution model with a linear rate showing that the KMC-continuum hybrid agrees with both a fully deterministic model and its analytical solution. We then study a deposition/dissolution model including competitive adsorption, which leadsmore » to a nonlinear rate, and show that, in this case, the KMC-continuum hybrid and fully deterministic simulations do not agree. However, we are able to identify the difference as a natural result of the stochasticity coming from the KMC surface process. Because KMC captures inherent fluctuations, we consider it to be more realistic than a purely deterministic model. Therefore, we consider the KMC-continuum hybrid to be more representative of a real system.« less

Recovery of high-quality RNA from laser capture microdissected human and rodent pancreas.

PubMed

Butler, Alexandra E; Matveyenko, Aleksey V; Kirakossian, David; Park, Johanna; Gurlo, Tatyana; Butler, Peter C

Laser capture microdissection (LCM) is a powerful method to isolate specific populations of cells for subsequent analysis such as gene expression profiling, for example, microarrays or ribonucleic (RNA)-Seq. This technique has been applied to frozen as well as formalin-fixed, paraffin-embedded (FFPE) specimens with variable outcomes regarding quality and quantity of extracted RNA. The goal of the study was to develop the methods to isolate high-quality RNA from islets of Langerhans and pancreatic duct glands (PDG) isolated by LCM. We report an optimized protocol for frozen sections to minimize RNA degradation and maximize recovery of expected transcripts from the samples using quantitative real-time polymerase chain reaction (RT-PCR) by adding RNase inhibitors at multiple steps during the experiment. This technique reproducibly delivered intact RNA (RIN values 6-7). Using quantitative RT-PCR, the expected profiles of insulin, glucagon, mucin6 (Muc6), and cytokeratin-19 (CK-19) mRNA in PDGs and pancreatic islets were detected. The described experimental protocol for frozen pancreas tissue might also be useful for other tissues with moderate to high levels of intrinsic ribonuclease (RNase) activity.

Effects of heat exchanger tubes on hydrodynamics and CO 2 capture of a sorbent-based fluidized bed reactor

DOE PAGES

Lai, Canhai; Xu, Zhijie; Li, Tingwen; ...

2017-08-05

In virtual design and scale up of pilot-scale carbon capture systems, the coupled reactive multiphase flow problem must be solved to predict the adsorber's performance and capture efficiency under various operation conditions. This paper focuses on the detailed computational fluid dynamics (CFD) modeling of a pilot-scale fluidized bed adsorber equipped with vertical cooling tubes. Multiphase Flow with Interphase eXchanges (MFiX), an open-source multiphase flow CFD solver, is used for the simulations with custom code to simulate the chemical reactions and filtered sub-grid models to capture the effect of the unresolved details in the coarser mesh for simulations with reasonable accuracymore » and manageable computational effort. Previously developed filtered models for horizontal cylinder drag, heat transfer, and reaction kinetics have been modified to derive the 2D filtered models representing vertical cylinders in the coarse-grid CFD simulations. The effects of the heat exchanger configurations (i.e., horizontal or vertical tubes) on the adsorber's hydrodynamics and CO 2 capture performance are then examined. A one-dimensional three-region process model is briefly introduced for comparison purpose. The CFD model matches reasonably well with the process model while provides additional information about the flow field that is not available with the process model.« less

Methanol from CO2 by organo-cocatalysis: CO2 capture and hydrogenation in one process step.

PubMed

Reller, Christian; Pöge, Matthias; Lißner, Andreas; Mertens, Florian O R L

2014-12-16

Carbon dioxide chemically bound to alcohol-amines was hydrogenated to methanol under retrieval of these industrially used CO2 capturing reagents. The energetics of the process can be seen as a partial cancellation of the exothermic heat of reaction of the hydrogenation with the endothermic one of the CO2 release from the capturing reagent. The process provides a means to significantly improve the energy efficiency of CO2 to methanol conversions.

Isomeric ratio measurements for the radiative neutron capture 176Lu(n,γ) at DANCE

NASA Astrophysics Data System (ADS)

Denis-Petit, D.; Roig, O.; Méot, V.; Morillon, B.; Romain, P.; Jandel, M.; Kawano, T.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

2017-09-01

The isomeric ratios for the neutron capture reaction 176Lu(n,γ) to the Jπ = 5/2-, 761.7 keV, T1/2 = 32.8 ns and the Jπ = 15/2+, 1356.9 keV, T1/2 = 11.1 ns levels of 177Lu, have been measured for the first time with the Detector for Advanced Neutron Capture Experiments (DANCE) at the Los Alamos National Laboratory. These measured isomeric ratios are compared with TALYS calculations.

A new network representation of the metabolism to detect chemical transformation modules.

PubMed

Sorokina, Maria; Medigue, Claudine; Vallenet, David

2015-11-14

Metabolism is generally modeled by directed networks where nodes represent reactions and/or metabolites. In order to explore metabolic pathway conservation and divergence among organisms, previous studies were based on graph alignment to find similar pathways. Few years ago, the concept of chemical transformation modules, also called reaction modules, was introduced and correspond to sequences of chemical transformations which are conserved in metabolism. We propose here a novel graph representation of the metabolic network where reactions sharing a same chemical transformation type are grouped in Reaction Molecular Signatures (RMS). RMS were automatically computed for all reactions and encode changes in atoms and bonds. A reaction network containing all available metabolic knowledge was then reduced by an aggregation of reaction nodes and edges to obtain a RMS network. Paths in this network were explored and a substantial number of conserved chemical transformation modules was detected. Furthermore, this graph-based formalism allows us to define several path scores reflecting different biological conservation meanings. These scores are significantly higher for paths corresponding to known metabolic pathways and were used conjointly to build association rules that should predict metabolic pathway types like biosynthesis or degradation. This representation of metabolism in a RMS network offers new insights to capture relevant metabolic contexts. Furthermore, along with genomic context methods, it should improve the detection of gene clusters corresponding to new metabolic pathways.

Manipulation of micro-objects using acoustically oscillating bubbles based on the gas permeability of PDMS.

PubMed

Liu, Bendong; Tian, Baohua; Yang, Xu; Li, Mohan; Yang, Jiahui; Li, Desheng; Oh, Kwang W

2018-05-01

This paper presents a novel manipulation method for micro-objects using acoustically oscillating bubbles with a controllable position based on the gas permeability of polydimethylsiloxane. The oscillating bubble trapped within the side channel attracts the neighboring micro-objects, and the position of the air-liquid interface is controlled by generating temporary pressure difference between the side channel and the air channel. To demonstrate the feasibility of the method in technological applications, polystyrene microparticles of 10  μ m in diameter were successfully captured, transported, and released. The influence of pressure difference on the movement speed of the air-liquid interface was demonstrated in our experiments, and the manipulation performance was also characterized by varying the frequency of the acoustic excitation and the pressure difference. Since the bubble generation and the air-liquid interface movement in our manipulation method do not need any electrochemical reaction and any high temperature, this on-chip manipulation method provides a controllable, efficient, and noninvasive tool for handling micro-objects such as particles, cells, and other entities. The whole manipulation process, including capturing, transporting, and releasing of particles, spent less than 1 min. It can be used to select the cells and particles in the microfluidic device or change the cell culture medium.

Computational Modeling of Mixed Solids for CO2 CaptureSorbents

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

Duan, Yuhua

2015-01-01

Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of differentmore » classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.« less

Carbon dioxide capture using Sodium bicarbonate/Sodium carbonate supported on nanoporous Iron(III) oxide

NASA Astrophysics Data System (ADS)

Dutcher, Bryce

Strong evidence exists suggesting that anthropogenic emissions of CO 2, primarily from the combustion of fossil fuels, have been contributing to global climate change, including warming of the atmosphere and acidification of the oceans. These, in turn, lead to other effects such as melting of ice and snow cover, rising sea levels, severe weather patterns, and extinction of life forms. With these detrimental shifts in ecosystems already being observed, it becomes imperative to mitigate anthropogenic CO2. CO2 capture is typically a costly operation, usually due to the energy required for regeneration of the capture medium. Na2CO3 is one potential capture medium with the potential to decrease this energy requirement. Extensively researched as a potential sorbent for CO2, Na2CO3 is well known for its theoretically low energy requirement, due largely to its relatively low heat of reaction compared to other capture technologies. Its primary pitfalls, however, are its extremely low reaction rate during sorption and slow regeneration of Na2CO 3. Before Na2CO3 can be used as a CO2 sorbent, then, it is critical to increase its reaction rate. In order to do so, this project studied nanoporous FeOOH as a potential supporting material for Na2CO3. Because regeneration of the sorbent is the most energy-intensive step when using Na2CO3 for CO 2 sorption, this project focused on the decomposition of NaHCO 3, which is equivalent to CO2 desorption. Using BET, FTIR, XRD, XPS, SEM, TEM, magnetic susceptibility tests, and Mossbauer spectroscopy, we show FeOOH to be thermally stable both with and without the presence of NaHCO3 at temperatures necessary for sorption and regeneration, up to about 200°C. More significantly, we observe that FeOOH not only increases the surface area of NaHCO3, but also has a catalytic effect on the decomposition of NaHCO3, reducing activation energy from 80 kJ/mol to 44 kJ/mol. This reduction in activation energy leads to a significant increase in the reaction rate by a factor of nearly 50, which could translate into a substantial decrease in the cost of using Na2 CO3 for CO2 capture.

Final Report for''Numerical Methods and Studies of High-Speed Reactive and Non-Reactive Flows''

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

Schwendeman, D W

2002-11-20

The work carried out under this subcontract involved the development and use of an adaptive numerical method for the accurate calculation of high-speed reactive flows on overlapping grids. The flow is modeled by the reactive Euler equations with an assumed equation of state and with various reaction rate models. A numerical method has been developed to solve the nonlinear hyperbolic partial differential equations in the model. The method uses an unsplit, shock-capturing scheme, and uses a Godunov-type scheme to compute fluxes and a Runge-Kutta error control scheme to compute the source term modeling the chemical reactions. An adaptive mesh refinementmore » (AMR) scheme has been implemented in order to locally increase grid resolution. The numerical method uses composite overlapping grids to handle complex flow geometries. The code is part of the ''Overture-OverBlown'' framework of object-oriented codes [1, 2], and the development has occurred in close collaboration with Bill Henshaw and David Brown, and other members of the Overture team within CASC. During the period of this subcontract, a number of tasks were accomplished, including: (1) an extension of the numerical method to handle ''ignition and grow'' reaction models and a JWL equations of state; (2) an improvement in the efficiency of the AMR scheme and the error estimator; (3) an addition of a scheme of numerical dissipation designed to suppress numerical oscillations/instabilities near expanding detonations and along grid overlaps; and (4) an exploration of the evolution to detonation in an annulus and of detonation failure in an expanding channel.« less

Measurement of θ 13 in Double Chooz using neutron captures on hydrogen with novel background rejection techniques

DOE PAGES

Abe, Y.; Appel, S.; Abrahão, T.; ...

2016-01-27

We observed a measurement of the Double Chooz collaboration and the neutrino mixing angle θ 13 using reactormore » $$\\bar{v}$$ e via the inverse beta decay reaction in which the neutron is captured on hydrogen. Our measurement is based on 462.72 live days data, approximately twice as much data as in the previous such analysis, collected with a detector positioned at an average distance of 1050 m from two reactor cores. Several novel techniques have been developed to achieve significant reductions of the backgrounds and systematic uncertainties. Accidental coincidences, the dominant background in this analysis, are suppressed by more than an order of magnitude with respect to our previous publication by a multi-variate analysis. Furthermore, these improvements demonstrate the capability of precise measurement of reactor $$\\bar{v}$$ e without gadolinium loading. Spectral distortions from the $$\\bar{v}$$ e reactor flux predictions previously reported with the neutron capture on gadolinium events are confirmed in the independent data sample presented here. A value of sin 2 2θ 13= 0.095 0.039 +0.038 (stat+syst) is obtained from a fit to the observed event rate as a function of the reactor power, a method insensitive to the energy spectrum shape. A simultaneous fit of the hydrogen capture events and of the gadolinium capture events yields a measurement of sin 2 2θ 13 = 0.088 ± 0.033(stat+syst).« less

Exploratory investigations of hypervelocity intact capture spectroscopy

NASA Technical Reports Server (NTRS)

Tsou, P.; Griffiths, D. J.

1993-01-01

The ability to capture hypervelocity projectiles intact opens a new technique available for hypervelocity research. A determination of the reactions taking place between the projectile and the capture medium during the process of intact capture is extremely important to an understanding of the intact capture phenomenon, to improving the capture technique, and to developing a theory describing the phenomenon. The intact capture of hypervelocity projectiles by underdense media generates spectra, characteristic of the material species of projectile and capture medium involved. Initial exploratory results into real-time characterization of hypervelocity intact capture techniques by spectroscopy include ultra-violet and visible spectra obtained by use of reflecting gratings, transmitting gratings, and prisms, and recorded by photographic and electronic means. Spectrometry proved to be a valuable real-time diagnostic tool for hypervelocity intact capture events, offering understanding of the interactions of the projectile and the capture medium during the initial period and providing information not obtainable by other characterizations. Preliminary results and analyses of spectra produced by the intact capture of hypervelocity aluminum spheres in polyethylene (PE), polystyrene (PS), and polyurethane (PU) foams are presented. Included are tentative emission species identifications, as well as gray body temperatures produced in the intact capture process.

Comparison between phenomenological and ab-initio reaction and relaxation models in DSMC

NASA Astrophysics Data System (ADS)

Sebastião, Israel B.; Kulakhmetov, Marat; Alexeenko, Alina

2016-11-01

New state-specific vibrational-translational energy exchange and dissociation models, based on ab-initio data, are implemented in direct simulation Monte Carlo (DSMC) method and compared to the established Larsen-Borgnakke (LB) and total collision energy (TCE) phenomenological models. For consistency, both the LB and TCE models are calibrated with QCT-calculated O2+O data. The model comparison test cases include 0-D thermochemical relaxation under adiabatic conditions and 1-D normal shockwave calculations. The results show that both the ME-QCT-VT and LB models can reproduce vibrational relaxation accurately but the TCE model is unable to reproduce nonequilibrium rates even when it is calibrated to accurate equilibrium rates. The new reaction model does capture QCT-calculated nonequilibrium rates. For all investigated cases, we discuss the prediction differences based on the new model features.

Sensitivity to Secondhand Smoke Exposure Predicts Smoking Susceptibility in 8 to 13 Year-Old Never Smokers

PubMed Central

Lessov-Schlaggar, Christina N.; Wahlgren, Dennis R.; Liles, Sandy; Jones, Jennifer A.; Ji, Ming; Hughes, Suzanne C.; Swan, Gary E.; Hovell, Melbourne F.

2010-01-01

Purpose To investigate the sensitivity to secondhand smoke exposure (SHSe) in preteens age 8 to 13 who have never smoked, and to determine whether SHSe sensitivity predicts smoking susceptibility. Methods We assessed sensitivity to SHSe using reactions commonly used for assessment of sensitivity to the first smoked cigarette (e.g., feeling dizzy), and investigated the factor structure of these reactions for the purpose of data reduction. We examined the association of each reaction measure and summary score with demographic characteristics and with smoking susceptibility, using logistic regression and ordinal logistic regression. Results One factor was identified that captured physical/unpleasant reactions. Older preteens and preteens with more highly educated parents reported fewer reactions to SHSe. More African American preteens reported feeling relaxed or calm compared to all other racial/ethnic groups. Experiencing physical/unpleasant reactions to SHSe predicted lower risk for smoking susceptibility. Conclusions This was the first study to extend analytical methodology for sensitivity to active smoking to sensitivity to SHSe in youth who have never smoked. Results suggest a desensitization process with age and lower sensitivity to some reactions in preteens from more highly educated households. Preteens who have more aversive experience s with SHSe tend to be less susceptible to smoking than those who experience fewer aversive reactions. Assessment of sensitivity to SHSe is a novel approach to the study of cigarette use etiology and may contribute to better prediction of smoking initiation. PMID:21338893

Studying Electron-Capture on ^64Zn in Supernovae with the (t,^3He) Charge-Exchange Reaction

NASA Astrophysics Data System (ADS)

Hitt, G. W.; Austin, Sam M.; Bazin, D.; Gade, A.; Guess, C. J.; Galaviz-Redondo, D.; Shimbara, Y.; Tur, C.; Zegers, R. G. T.; Horoi, M.; Howard, M. E.; Smith, E. E.

2008-10-01

A secondary, 115 MeV/u triton beam has been developed at NSCL for use in (t,^3He) charge-exchange(CE) reaction studies. This (n,p)-type CE reaction is useful for extracting the full Gamow-Teller (GT) response of the nucleus, overcoming Q-value restrictions present in conventional beta-decay studies. The strength (B(GT)) in ^64Cu has been determined from the absolute cross section measurement of ^64Zn(t,^3He) near zero-degrees, exploiting an empirical proportionality between cross section and B(GT). The detailed features of the B(GT) distribution in a nucleus has an important impact on electron-capture (EC) rates in Type Ia and Core-Collapse supernovae. The measured B(GT) in ^64Cu is directly compared with the results of modern shell model interactions which are used to calculate the GT contribution to EC on nuclei in supernova simulations.

Four reversible and reconfigurable structures for three-phase emulsions: extended morphologies and applications

NASA Astrophysics Data System (ADS)

Ge, Xue-Hui; Geng, Yu-Hao; Zhang, Qiao-Chu; Shao, Meng; Chen, Jian; Luo, Guang-Sheng; Xu, Jian-Hong

2017-02-01

Here in this article, we classify and conclude the four morphologies of three-phase emulsions. Remarkably, we achieve the reversible transformations between every shape. Through theoretical analysis, we choose four liquid systems to form these four morphologies. Then monodispersed droplets with these four morphologies are formed through a microfluidic device and captured in a petri-dish. By replacing their ambient solution of the captured emulsions, in-situ morphology transformations between each shape are achieved. The process is well recorded through photographs and videos and they are systematical and reversible. Finally, we use the droplets structure to form an on-off switch to start and shut off the evaporation of one volatile phase to achieve the process monitoring. This could be used to initiate and quench a reaction, which offers a novel idea to achieve the switchable and reversible reaction control in multiple-phase reactions.

DANCE : Device for Measurement of (n.g.) Reactions on radioactive Species /

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

Chamberlin, E. P.; Dragowsky, M.; Fowler, Malcolm M.

2001-01-01

DANCE (Device for Advanced Neutron Capture Experiments) is a 4{pi} 162 element BaF{sub 2} array under development at Los Alamos National Laboratory. It is designed to provide high granularity, fast timing and high photon detection efficiency. It will be located at the Los Alamos Neutron Scattering Center where neutrons are produced using 800 MeV proton induced spallation reactions on heavy element production targets. Using the pulsed high neutron fluence available at this facility combined with time of flight techniques it will be possible to make neutron capture measurements in the neutron energy range from eV to 100's of keV onmore » rare and radioactive target material at the milligram and below level. These measurements will provide critically needed data for the interpretation of the astrophysical s-process 'branching point' nuclei as well as information for reactions needed in understanding transmutation processes of radioactive species.« less

EMPIRE: A code for nuclear astrophysics

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

Palumbo, A.

The nuclear reaction code EMPIRE is presented as a useful tool for nuclear astrophysics. EMPIRE combines a variety of the reaction models with a comprehensive library of input parameters providing a diversity of options for the user. With exclusion of the directsemidirect capture all reaction mechanisms relevant to the nuclear astrophysics energy range of interest are implemented in the code. Comparison to experimental data show consistent agreement for all relevant channels.

Uncertainties in s -process nucleosynthesis in low mass stars determined from Monte Carlo variations

NASA Astrophysics Data System (ADS)

Cescutti, G.; Hirschi, R.; Nishimura, N.; den Hartogh, J. W.; Rauscher, T.; Murphy, A. St J.; Cristallo, S.

2018-05-01

The main s-process taking place in low mass stars produces about half of the elements heavier than iron. It is therefore very important to determine the importance and impact of nuclear physics uncertainties on this process. We have performed extensive nuclear reaction network calculations using individual and temperature-dependent uncertainties for reactions involving elements heavier than iron, within a Monte Carlo framework. Using this technique, we determined the uncertainty in the main s-process abundance predictions due to nuclear uncertainties link to weak interactions and neutron captures on elements heavier than iron. We also identified the key nuclear reactions dominating these uncertainties. We found that β-decay rate uncertainties affect only a few nuclides near s-process branchings, whereas most of the uncertainty in the final abundances is caused by uncertainties in neutron capture rates, either directly producing or destroying the nuclide of interest. Combined total nuclear uncertainties due to reactions on heavy elements are in general small (less than 50%). Three key reactions, nevertheless, stand out because they significantly affect the uncertainties of a large number of nuclides. These are 56Fe(n,γ), 64Ni(n,γ), and 138Ba(n,γ). We discuss the prospect of reducing uncertainties in the key reactions identified in this study with future experiments.

Catalytic conversion reactions mediated by single-file diffusion in linear nanopores: hydrodynamic versus stochastic behavior.

PubMed

Ackerman, David M; Wang, Jing; Wendel, Joseph H; Liu, Da-Jiang; Pruski, Marek; Evans, James W

2011-03-21

We analyze the spatiotemporal behavior of species concentrations in a diffusion-mediated conversion reaction which occurs at catalytic sites within linear pores of nanometer diameter. Diffusion within the pores is subject to a strict single-file (no passing) constraint. Both transient and steady-state behavior is precisely characterized by kinetic Monte Carlo simulations of a spatially discrete lattice-gas model for this reaction-diffusion process considering various distributions of catalytic sites. Exact hierarchical master equations can also be developed for this model. Their analysis, after application of mean-field type truncation approximations, produces discrete reaction-diffusion type equations (mf-RDE). For slowly varying concentrations, we further develop coarse-grained continuum hydrodynamic reaction-diffusion equations (h-RDE) incorporating a precise treatment of single-file diffusion in this multispecies system. The h-RDE successfully describe nontrivial aspects of transient behavior, in contrast to the mf-RDE, and also correctly capture unreactive steady-state behavior in the pore interior. However, steady-state reactivity, which is localized near the pore ends when those regions are catalytic, is controlled by fluctuations not incorporated into the hydrodynamic treatment. The mf-RDE partly capture these fluctuation effects, but cannot describe scaling behavior of the reactivity.

A Highly Sensitive Diagnostic System for Detecting Dengue Viruses Using the Interaction between a Sulfated Sugar Chain and a Virion.

PubMed

Saksono, Budi; Dewi, Beti Ernawati; Nainggolan, Leonardo; Suda, Yasuo

2015-01-01

We propose a novel method of detecting trace amounts of dengue virus (DENVs) from serum. Our method is based on the interaction between a sulfated sugar chain and a DENV surface glycoprotein. After capturing DENV with the sulfated sugar chain-immobilized gold nanoparticles (SGNPs), the resulting complex is precipitated and viral RNA content is measured using the reverse-transcription quantitative polymerase chain reaction SYBR Green I (RT-qPCR-Syb) method. Sugar chains that bind to DENVs were identified using the array-type sugar chain immobilized chip (Sugar Chip) and surface plasmon resonance (SPR) imaging. Heparin and low-molecular-weight dextran sulfate were identified as binding partners, and immobilized on gold nanoparticles to prepare 3 types of SGNPs. The capacity of these SGNPs to capture and concentrate trace amounts of DENVs was evaluated in vitro. The SGNP with greatest sensitivity was tested using clinical samples in Indonesia in 2013-2014. As a result, the novel method was able to detect low concentrations of DENVs using only 6 μL of serum, with similar sensitivity to that of a Qiagen RNA extraction kit using 140 μL of serum. In addition, this method allows for multiplex-like identification of serotypes of DENVs. This feature is important for good healthcare management of DENV infection in order to safely diagnose the dangerous, highly contagious disease quickly, with high sensitivity.

Capture cross sections on unstable nuclei

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

Tonchev, A. P.; Escher, J. E.; Scielzo, N.

2017-09-13

Accurate neutron-capture cross sections on unstable nuclei near the line of beta stability are crucial for understanding the s-process nucleosynthesis. However, neutron-capture cross sections for short-lived radionuclides are difficult to measure due to the fact that the measurements require both highly radioactive samples and intense neutron sources. Essential ingredients for describing the γ decays following neutron capture are the γ-ray strength function and level densities. We will compare different indirect approaches for obtaining the most relevant observables that can constrain Hauser-Feshbach statistical-model calculations of capture cross sections. Specifically, we will consider photon scattering using monoenergetic and 100% linearly polarized photonmore » beams. Here, challenges that exist on the path to obtaining neutron-capture cross sections for reactions on isotopes near and far from stability will be discussed.« less

Contribution of Proton Capture Reactions to the Ascertained Abundance of Fluorine in the Evolved Stars of Globular Cluster M4, M22, 47 Tuc and NGC 6397

NASA Astrophysics Data System (ADS)

Mahanta, Upakul; Goswami, Aruna; Duorah, H. L.; Duorah, K.

2017-12-01

The origin of the abundance pattern and also the (anti)correlation present among the elements found in stars of globular clusters (GCs) remains unimproved until date. The proton-capture reactions are presently recognised in concert of the necessary candidates for that sort of observed behaviour in the second generation stars. We tend to propose a reaction network of a nuclear cycle namely carbon-nitrogen-oxygen-fluorine (CNOF) at evolved stellar condition since fluorine (^{19}F) is one such element which gets plagued by proton capture reactions. The stellar temperature thought about here ranges from 2× 107 to 10× 107 K and there has been an accretion occuring, with material density being 102 g/cm3 and 103 g/cm3. Such kind of temperature density conditions are probably going to be prevailing within the H-burning shell of evolved stars. The estimated abundances of ^{19}F are then matched with the info that has been determined for a few some metal-poor giants of GC M4, M22, 47 Tuc as well as NGC 6397. As far as the comparison between the observed and calculated abundances is concerned, it is found that the abundance of ^{19}F have shown an excellent agreement with the observed abundances with a correlation coefficent above 0.9, supporting the incidence of that nuclear cycle at the adopted temperature density conditions.

Thirtyfold multiplex genotyping of the p53 gene using solid phase capturable dideoxynucleotides and mass spectrometry.

PubMed

Kim, Sobin; Ulz, Michael E; Nguyen, Tuan; Li, Chi-Ming; Sato, Takaaki; Tycko, Benjamin; Ju, Jingyue

2004-05-01

A mass spectrometry (MS) based multiplex genotyping method using solid phase capturable (SPC) dideoxynucleotides and single base extension (SBE), named the SPC-SBE, has been developed for mutation detection. We report here the simultaneous genotyping of 30 potential point mutation sites in exons 5, 7, and 8 of the human p53 gene in one tube using the SPC-SBE method. The 30 mutation sites, including the most frequently mutated p53 codons, were chosen to explore the high multiplexing scope of the SPC-SBE method. Thirty primers specific to each potential mutation site were designed to yield SBE products with sufficient mass differences. This was achieved by tuning the mass of some primers using modified nucleotides. Genomic DNA was amplified by multiplex PCR to produce amplicons of the three p53 exons. The 30 primers were combined with the PCR products and biotinylated dideoxynucleotides for SBE to generate 3'-biotinylated extension DNA products. These products were then captured by streptavidin-coated magnetic beads, while the unextended primers and other components in the reaction were washed away. The pure extension DNA products were subsequently released from the solid phase and analyzed with MS. We simultaneously genotyped 30 potential mutation sites in the p53 gene from Wilms' tumor, head and neck tumor, and colorectal tumor. Both homozygous and heterozygous genotypes were accurately determined with digital resolution. This is the highest level of multiplex genotyping reported thus far using MS, indicating that the approach might be applicable to screening a repertoire of genotypes in candidate genes as potential disease markers.

Satellite Tagging and Biopsy Sampling of Killer Whales at Subantarctic Marion Island: Effectiveness, Immediate Reactions and Long-Term Responses

PubMed Central

Reisinger, Ryan R.; Oosthuizen, W. Chris; Péron, Guillaume; Cory Toussaint, Dawn; Andrews, Russel D.; de Bruyn, P. J. Nico

2014-01-01

Remote tissue biopsy sampling and satellite tagging are becoming widely used in large marine vertebrate studies because they allow the collection of a diverse suite of otherwise difficult-to-obtain data which are critical in understanding the ecology of these species and to their conservation and management. Researchers must carefully consider their methods not only from an animal welfare perspective, but also to ensure the scientific rigour and validity of their results. We report methods for shore-based, remote biopsy sampling and satellite tagging of killer whales Orcinus orca at Subantarctic Marion Island. The performance of these methods is critically assessed using 1) the attachment duration of low-impact minimally percutaneous satellite tags; 2) the immediate behavioural reactions of animals to biopsy sampling and satellite tagging; 3) the effect of researcher experience on biopsy sampling and satellite tagging; and 4) the mid- (1 month) and long- (24 month) term behavioural consequences. To study mid- and long-term behavioural changes we used multievent capture-recapture models that accommodate imperfect detection and individual heterogeneity. We made 72 biopsy sampling attempts (resulting in 32 tissue samples) and 37 satellite tagging attempts (deploying 19 tags). Biopsy sampling success rates were low (43%), but tagging rates were high with improved tag designs (86%). The improved tags remained attached for 26±14 days (mean ± SD). Individuals most often showed no reaction when attempts missed (66%) and a slight reaction–defined as a slight flinch, slight shake, short acceleration, or immediate dive–when hit (54%). Severe immediate reactions were never observed. Hit or miss and age-sex class were important predictors of the reaction, but the method (tag or biopsy) was unimportant. Multievent trap-dependence modelling revealed considerable variation in individual sighting patterns; however, there were no significant mid- or long-term changes following biopsy sampling or tagging. PMID:25375329

Experimental search for the radiative capture reaction d + d {yields} {sup 4}He + {gamma} from the dd{mu} muonic molecule state J = 1

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

Baluev, V. V.; Bogdanova, L. N.; Bom, V. R.

2011-07-15

A search for the muon-catalyzed fusion reaction d + d {yields} {sup 4}He + {gamma} in the dd{mu} muonic molecule was performed using the experimental installation TRITON with BGO detectors for {gamma}-quanta. A high-pressure target filled with deuterium was exposed to the negative muon beam of the JINR Phasotron to detect {gamma}-quanta with the energy 23.8 MeV. An experimental estimation for the yield of radiative deuteron capture from the dd{mu} state J = 1 was obtained at the level of {eta}{sub {gamma}} {<=} 8 Multiplication-Sign 10{sup -7} per fusion.

Low-Energy Nuclear Reactions Resulting as Picometer Interactions with Similarity to K-Shell Electron Capture

NASA Astrophysics Data System (ADS)

Hora, H.; Miley, G. H.; Li, X. Z.; Kelly, J. C.; Osman, F.

2006-02-01

Since the appeal by Brian Josephson at the meeting of the Nobel Laureates July 2004, it seems to be indicated to summarize the following serious, reproducible and confirmed observations on reactions of protons or deuterons incorporated in host metals such as palladium. Some reflections to Rutherford's discovery of nuclear physics, the Cockroft-Oliphant discovery of anomalous low-energy fusion reactions and the chemist Hahn's discovery of fission had to be included. Using gaseous atmosphere or discharges between palladium targets, rather significant results were seen e.g. from the "life after death" heat production of such high values per host atom that only nuclear reactions can be involved. This supports the earlier evaluation of neutron generation in fully reversible experiments with gas discharges hinting that a reasonable screening effect - preferably in the swimming electron layer - may lead to reactions at nuclear distances d of picometers with reaction probability times U of about megaseconds similar to the K-shell capture radioactivity. Further electrolytic experiments led to low-energy nuclear reactions (LENR) where the involvement of pollution could be excluded from the appearance of very seldom rare earth elements. A basically new theory for DD cross-sections is used to confirm the picometer-megasecond reactions of cold fusion. Other theoretical aspects are given from measured heavy element distributions similar to the standard abundance distribution, SAD, in the Universe with consequences on endothermic heavy nuclei generation, magic numbers and to quark-gluon plasmas.

VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions.

PubMed

Kuechler, Erich R; Giese, Timothy J; York, Darrin M

2016-04-28

To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational, produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.

High speed turbulent reacting flows: DNS and LES

NASA Technical Reports Server (NTRS)

Givi, Peyman

1990-01-01

Work on understanding the mechanisms of mixing and reaction in high speed turbulent reacting flows was continued. Efforts, in particular, were concentrated on taking advantage of modern computational methods to simulate high speed turbulent flows. In doing so, two methodologies were used: large eddy simulations (LES) and direct numerical simulations (DNS). In the work related with LES the objective is to study the behavior of the probability density functions (pdfs) of scalar properties within the subgrid in reacting turbulent flows. The data base obtained by DNS for a detailed study of the pdf characteristics within the subgrid was used. Simulations are performed for flows under various initializations to include the effects of compressibility on mixing and chemical reactions. In the work related with DNS, a two-dimensional temporally developing high speed mixing layer under the influence of a second-order non-equilibrium chemical reaction of the type A + B yields products + heat was considered. Simulations were performed with different magnitudes of the convective Mach numbers and with different chemical kinetic parameters for the purpose of examining the isolated effects of the compressibility and the heat released by the chemical reactions on the structure of the layer. A full compressible code was developed and utilized, so that the coupling between mixing and chemical reactions is captured in a realistic manner.

A new approach to phosphoserine and phosphothreonine analysis in peptides and proteins: chemical modification, enrichment via solid-phase reversible binding, and analysis by mass spectrometry.

PubMed

Thaler, Florian; Valsasina, Barbara; Baldi, Rosario; Xie, Jin; Stewart, Albert; Isacchi, Antonella; Kalisz, Henryk M; Rusconi, Luisa

2003-06-01

beta-Elimination of the phosphate group on phosphoserine and phosphothreonine residues and addition of an alkyldithiol is a useful tool for analysis of the phosphorylation states of proteins and peptides. We have explored the influence of several conditions on the efficiency of this PO(4)(3-) elimination reaction upon addition of propanedithiol. In addition to the described influence of different bases, the solvent composition was also found to have a major effect on the yield of the reaction. In particular, an increase in the percentage of DMSO enhances the conversion rate, whereas a higher amount of protic polar solvents, such as water or isopropanol, induces the opposite effect. We have also developed a protocol for enrichment of the modified peptides, which is based on solid-phase covalent capture/release with a dithiopyridino-resin. The procedure for beta-elimination and isolation of phosphorylated peptides by solid-phase capture/release was developed with commercially available alpha-casein. Enriched peptide fragments were characterized by MALDI-TOF mass spectrometric analysis before and after alkylation with iodoacetamide, which allowed rapid confirmation of the purposely introduced thiol moiety. Sensitivity studies, carried out in order to determine the detection limit, demonstrated that samples could be detected even in the low picomolar range by mass spectrometry. The developed solid-phase enrichment procedure based on reversible covalent binding of the modified peptides is more effective and significantly simpler than methods based on the interaction between biotin and avidin, which require additional steps such as tagging the modified peptides and work-up of the samples prior to the affinity capture step.

Comparison of online reporting systems and their compatibility check with respective adverse drug reaction reporting forms.

PubMed

Maharshi, Vikas; Nagar, Pravesh

2017-01-01

Different forms and online tools are available in different countries for spontaneous reporting, one of the most widely used methods of pharmacovigilance. Capturing sufficient information and adequate compatibility of online systems with respective reporting form is highly desirable for appropriate reporting of adverse drug reactions (ADRs). This study was aimed to compare three major online reporting systems (US, UK, and WHO) of the world and also to check their compatibility with the respective ADR reporting form. A total of 89 data elements to provide relevant information were found out from above three online reporting systems. All three online systems were compared regarding magnitude of information captured by each of them and scoring was done by providing a score of "1" to each element. Compatibility of ADR reporting forms of India (Red form), US (Form 3500), and UK (Yellow card form) was assessed by comparing the information gathered by them with that can be entered into their respective online reporting systems, namely, "VigiFlow," "US online reporting," and "Yellow card online reporting." Each unmatching item was given a score of "-1". VigiFlow scored "74" points, whereas online reporting systems of the US and UK scored "56" and "49," respectively, regarding magnitude of the information gathered by them. Compatibility score was found to be "0," "-9," and "-26" in case of ADR reporting systems of US, UK, and India, respectively. Our study reveals that "VigiFlow" is capable of capturing the maximum amount of information but "Form 3500" and "Online reporting system of US" are maximally compatible to each other among ADR reporting systems of all three countries.

New effects of a long-lived negatively charged massive particle on big bang nucleosynthesis

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

Kusakabe, Motohiko; Kim, K. S.; Cheoun, Myung-Ki

Primordial {sup 7}Li abundance inferred from observations of metal-poor stars is a factor of about 3 lower than the theoretical value of standard big bang nucleosynthesis (BBN) model. One of the solutions to the Li problem is {sup 7}Be destruction during the BBN epoch caused by a long-lived negatively charged massive particle, X{sup −}. The particle can bind to nuclei, and X-bound nuclei (X-nuclei) can experience new reactions. The radiative X{sup −} capture by {sup 7}Be nuclei followed by proton capture of the bound state of {sup 7}Be and X{sup −} ({sup 7}Be{sub x}) is a possible {sup 7}Be destructionmore » reaction. Since the primordial abundance of {sup 7}Li originates mainly from {sup 7}Li produced via the electron capture of {sup 7}Be after BBN, the {sup 7}Be destruction provides a solution to the {sup 7}Li problem. We suggest a new route of {sup 7}Be{sub x} formation, that is the {sup 7}Be charge exchange at the reaction of {sup 7}Be{sup 3+} ion and X{sup −}. The formation rate depends on the ionization fraction of {sup 7}Be{sup 3+} ion, the charge exchange cross section of {sup 7}Be{sup 3+}, and the probability that excited states {sup 7}Be{sub x}* produced at the charge exchange are converted to the ground state. We find that this reaction can be equally important as or more important than ordinary radiative recombination of {sup 7}Be and X{sup −}. The effect of this new route is shown in a nuclear reaction network calculation.« less

Sulfone-stabilized carbanions for the reversible covalent capture of a posttranslationally-generated cysteine oxoform found in protein tyrosine phosphatase 1B (PTP1B).

PubMed

Parsons, Zachary D; Ruddraraju, Kasi Viswanatharaju; Santo, Nicholas; Gates, Kent S

2016-06-15

Redox regulation of protein tyrosine phosphatase 1B (PTP1B) involves oxidative conversion of the active site cysteine thiolate into an electrophilic sulfenyl amide residue. Reduction of the sulfenyl amide by biological thiols regenerates the native cysteine residue. Here we explored fundamental chemical reactions that may enable covalent capture of the sulfenyl amide residue in oxidized PTP1B. Various sulfone-containing carbon acids were found to react readily with a model peptide sulfenyl amide via attack of the sulfonyl carbanion on the electrophilic sulfur center in the sulfenyl amide. Both the products and the rates of these reactions were characterized. The results suggest that capture of a peptide sulfenyl amide residue by sulfone-stabilized carbanions can slow, but not completely prevent, thiol-mediated generation of the corresponding cysteine-containing peptide. Sulfone-containing carbon acids may be useful components in the construction of agents that knock down PTP1B activity in cells via transient covalent capture of the sulfenyl amide oxoform generated during insulin signaling processes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Neutron spectroscopy by thermalization light yield measurement in a composite heterogeneous scintillator

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

Shi, T.; Nattress, J.; Mayer, Michael F.

2016-12-11

An exothermic neutron capture reaction can be used to uniquely identify neutrons in particle detectors. With the use of a capture-gated coincidence technique, the sequence of scatter events that lead to neutron thermalization prior to the neutron capture can also be used to measure neutron energy. We report on the measurement of thermalization light yield via a time-of-flight technique in a polyvinyl toluene-based scintillator EJ-290 within a heterogeneous composite detector that also includes 6Li-doped glass scintillator. The thermalization light output exhibits a strong correlation with neutron energy because of the preference for near-complete energy deposition prior to the 6Li(n,t)4He neutronmore » capture reaction. The nonproportionality of the light yield from nuclear recoils contributes to the observed broadening of the distribution of thermalization light output. The nonproportional dependence of the scintillation light output in the EJ-290 scintillator as a function of proton recoil energy has been characterized in the range of 0.3–14.1 MeV via the Birks parametrization through a combination of time-of-flight measurement and previously conducted measurements with Monoenergetic neutron sources.« less

Liquid Biopsy in Lung Cancer: A Perspective From Members of the Pulmonary Pathology Society.

PubMed

Sholl, Lynette M; Aisner, Dara L; Allen, Timothy Craig; Beasley, Mary Beth; Cagle, Philip T; Capelozzi, Vera L; Dacic, Sanja; Hariri, Lida P; Kerr, Keith M; Lantuejoul, Sylvie; Mino-Kenudson, Mari; Raparia, Kirtee; Rekhtman, Natasha; Roy-Chowdhuri, Sinchita; Thunnissen, Eric; Tsao, Ming; Vivero, Marina; Yatabe, Yasushi

2016-08-01

Liquid biopsy has received extensive media coverage and has been called the holy grail of cancer detection. Attempts at circulating tumor cell and genetic material capture have been progressing for several years, and recent financially and technically feasible improvements of cell capture devices, plasma isolation techniques, and highly sensitive polymerase chain reaction- and sequencing-based methods have advanced the possibility of liquid biopsy of solid tumors. Although practical use of circulating RNA-based testing has been hindered by the need to fractionate blood to enrich for RNAs, the detection of circulating tumor cells has profited from advances in cell capture technology. In fact, the US Food and Drug Administration has approved one circulating tumor cell selection platform, the CellSearch System. Although the use of liquid biopsy in a patient population with a genomically defined solid tumor may potentially be clinically useful, it currently does not supersede conventional pretreatment tissue diagnosis of lung cancer. Liquid biopsy has not been validated for lung cancer diagnosis, and its lower sensitivity could lead to significant diagnostic delay if liquid biopsy were to be used in lieu of tissue biopsy. Ultimately, notwithstanding the enthusiasm encompassing liquid biopsy, its clinical utility remains unproven.

Sulfur Dioxide Capture by Heterogeneous Oxidation on Hydroxylated Manganese Dioxide.

PubMed

Wu, Haodong; Cai, Weimin; Long, Mingce; Wang, Hairui; Wang, Zhiping; Chen, Chen; Hu, Xiaofang; Yu, Xiaojuan

2016-06-07

Here we demonstrate that sulfur dioxide (SO2) is efficiently captured via heterogeneous oxidation into sulfate on the surface of hydroxylated manganese dioxide (MnO2). Lab-scale activity tests in a fluidized bed reactor showed that the removal efficiency for a simulated flue gas containing 5000 mg·Nm(-3) SO2 could reach nearly 100% with a GHSV (gas hourly space velocity) of 10000 h(-1). The mechanism was investigated using a combination of experimental characterizations and theoretical calculations. It was found that formation of surface bound sulfate proceeds via association of SO2 with terminal hydroxyls. Both H2O and O2 are essential for the generation of reactive terminal hydroxyls, and the indirect role of O2 in heterogeneous SO2 oxidation at low temperature was also revealed. We propose that the high reactivity of terminal hydroxyls is attributed to the proper surface configuration of MnO2 to adsorb water with degenerate energies for associative and dissociative states, and maintain rapid proton dynamics. Viability analyses suggest that the desulfurization method that is based on such a direct oxidation reaction at the gas/solid interface represents a promising approach for SO2 capture.

Rapid identification of antibiotic resistance using droplet microfluidics.

PubMed

Keays, Marie C; O'Brien, Mark; Hussain, Anam; Kiely, Patrick A; Dalton, Tara

2016-04-02

Culturing bacteria and monitoring bacterial cell growth is a critical issue when dealing with patients who present with bacterial infections. One of the main challenges that arises is the time taken to identify the particular strain of bacteria and consequently, decide the correct treatment. In the majority of cases, broad spectrum antibiotics are used to target infections when a narrow spectrum drug would be more appropriate. The efficient monitoring of bacterial growth and potential antibiotic resistance is necessary to identify the best treatment options for patients. Minturising the reactions into microfluidic droplets offers a novel method to rapidy analyze bacteria. Microfluidics facilitates low volume reactions that provide a unique system where each droplet reaction acts as an individual bioreactor. Here, we designed and built a novel platform that allowed us to create and monitor E.coli microfluidic droplet cultures. Optical capacity was built in and measurements of bacterial cultures were captured facilitating the continuous monitoring of individual reactions. The capacity of the instrument was demonstrated by the application of treatments to both bacteria and drug resistant strains of bacteria. We were able to detect responses within one hour in the droplet cultures, demonstrating the capacity of this workflow to the culture and rapid characterization of bacterial strains.

Highly sensitive DNA detection using cascade amplification strategy based on hybridization chain reaction and enzyme-induced metallization

PubMed Central

Yu, Xu; Zhang, Zhi-Ling; Zheng, Si-Yang

2014-01-01

A novel highly sensitive colorimetric assay for DNA detection using cascade amplification strategy based on hybridization chain reaction and enzyme-induced metallization was established. The DNA modified superparamagnetic beads were demonstrated to capture and enrich the target DNA in the hybridization buffer or human plasma. The hybridization chain reaction and enzyme-induced silver metallization on the gold nanoparticles were used as cascade signal amplification for the detection of target DNA. The metalization of silver on the gold nanoparticles induced a significant colour change from red to yellow until black depending on the concentration of the target DNA, which could be recognized by naked eyes. This method showed a good specificity for the target DNA detection, with the capabilty to discriminate single-base-pair mismatched DNA mutation (single nucleotide polymorphism). Meanwhile, this approach exhibited an excellent anti-interference capability with the convenience of the magentic seperation and washing, which enabled its usage in complex biological systems such as human blood plasma. As an added benefit, the utilization of hybridization chain reaction and enzyme-induced metallization improved detection sensitivity down to 10 pM, which is about 100-fold lower than that of traditional unamplified homogeneous assays. PMID:25500528

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

Kuechler, Erich R.; Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431; Giese, Timothy J.

To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational,more » produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.« less

NREL Researchers Capture Excess Photon Energy to Produce Solar Fuels | News

Science.gov Websites

applied to produce extra chemical reactions or stored energy in chemical bonds." The maximum generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100%, co that MEG enhancement in a chemical bond rather than just in the electrical current," Beard said

Notable light-free catalytic activity for pollutant destruction over flower-like BiOI microspheres by a dual-reaction-center Fenton-like process.

PubMed

Wang, Liang; Yan, Dengbiao; Lyu, Lai; Hu, Chun; Jiang, Ning; Zhang, Lili

2018-10-01

BiOI is widely used as photocatalysts for pollutant removal, water splitting, CO 2 reduction and organic transformation due to its excellent photoelectric properties. Here, we report for the first time that a light-free catalyst consisting of the flower-like BiOI microspheres (f-BiOI MSs) exposing (1 0 1) and (1 1 0) crystal planes prepared by a hydrothermal method in ethylene glycol environment can rapidly eliminate the refractory BPA within only ∼3 min through a Fenton-like process. The reaction activity is ∼190 times higher than that of the conventional Fenton catalyst Fe 2 O 3 . A series of characterizations and experiments reveal the formation of the dual reaction centers on f-BiOI MSs. The electron-rich O centers efficiently reduce H 2 O 2 to OH, while the electron-poor oxygen vacancies capture electrons from the adsorbed pollutants and divert them to the electron-rich area during the Fenton-like reactions. By these processes, pollutants are degraded and mineralized quickly in a wide pH range. Our findings address the problems of the classical Fenton reaction and are useful for the development of efficient Fenton-like catalysts through constructing dual reaction centers. Copyright © 2018 Elsevier Inc. All rights reserved.

Highly selective transformation of ammonia nitrogen to N2 based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions system.

PubMed

Ji, Youzhi; Bai, Jing; Li, Jinhua; Luo, Tao; Qiao, Li; Zeng, Qingyi; Zhou, Baoxue

2017-11-15

A highly selective method for transforming ammonia nitrogen to N 2 was proposed, based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions (PEC-chlorine) system. The PEC-chlorine system was facilitated by a visible light response WO 3 nanoplate array (NPA) electrode in an ammonia solution containing chloride ions (Cl - ). Under illumination, photoholes from WO 3 promote the oxidation of Cl - to chlorine radical (Cl). This radical can selectively transform ammonia nitrogen to N 2 (79.9%) and NO 3 - (19.2%), similar to the breakpoint chlorination reaction. The ammonia nitrogen removal efficiency increased from 10.6% (PEC without Cl - ) to 99.9% with the PEC-chlorine system within 90 min operation, which can be attributed to the cyclic reactions between Cl - /Cl and the reaction intermediates (NH 2 , NHCl, etc.) that expand the degradation reactions from the surface of the electrodes to the whole solution system. Moreover, Cl is the main radical species contributing to the transformation of ammonia nitrogen to N 2 , which is confirmed by the tBuOH capture experiment. Compared to conventional breakpoint chlorination, the PEC-chlorine system is a more economical and efficient means for ammonia nitrogen degradation because of the fast removal rate, no additional chlorine cost, and its use of clean energy (since it is solar-driven). Copyright © 2017 Elsevier Ltd. All rights reserved.

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

Li, Liang; Nachtergaele, Sigrid; Seddon, Annela M.

This paper utilizes cyclodextrin-based host-guest chemistry in a microfluidic device to modulate the crystallization of membrane proteins and the process of concentration of membrane protein samples. Methyl-{beta}-cyclodextrin (MBCD) can efficiently capture a wide variety of detergents commonly used for the stabilization of membrane proteins by sequestering detergent monomers. Reaction Center (RC) from Blastochloris viridis was used here as a model system. In the process of concentrating membrane protein samples, MBCD was shown to break up free detergent micelles and prevent them from being concentrated. The addition of an optimal amount of MBCD to the RC sample captured loosely bound detergentmore » from the protein-detergent complex and improved sample homogeneity, as characterized by dynamic light scattering. Using plug-based microfluidics, RC crystals were grown in the presence of MBCD, giving a different morphology and space group than crystals grown without MBCD. The crystal structure of RC crystallized in the presence of MBCD was consistent with the changes in packing and crystal contacts hypothesized for removal of loosely bound detergent. The incorporation of MBCD into a plug-based microfluidic crystallization method allows efficient use of limited membrane protein sample by reducing the amount of protein required and combining sparse matrix screening and optimization in one experiment. The use of MBCD for detergent capture can be expanded to develop cyclodextrin-derived molecules for fine-tuned detergent capture and thus modulate membrane protein crystallization in an even more controllable way.« less

Microchip integrating magnetic nanoparticles for allergy diagnosis.

PubMed

Teste, Bruno; Malloggi, Florent; Siaugue, Jean-Michel; Varenne, Anne; Kanoufi, Frederic; Descroix, Stéphanie

2011-12-21

We report on the development of a simple and easy to use microchip dedicated to allergy diagnosis. This microchip combines both the advantages of homogeneous immunoassays i.e. species diffusion and heterogeneous immunoassays i.e. easy separation and preconcentration steps. In vitro allergy diagnosis is based on specific Immunoglobulin E (IgE) quantitation, in that way we have developed and integrated magnetic core-shell nanoparticles (MCSNPs) as an IgE capture nanoplatform in a microdevice taking benefit from both their magnetic and colloidal properties. Integrating such immunosupport allows to perform the target analyte (IgE) capture in the colloidal phase thus increasing the analyte capture kinetics since both immunological partners are diffusing during the immune reaction. This colloidal approach improves 1000 times the analyte capture kinetics compared to conventional methods. Moreover, based on the MCSNPs' magnetic properties and on the magnetic chamber we have previously developed the MCSNPs and therefore the target can be confined and preconcentrated within the microdevice prior to the detection step. The MCSNPs preconcentration factor achieved was about 35,000 and allows to reach high sensitivity thus avoiding catalytic amplification during the detection step. The developed microchip offers many advantages: the analytical procedure was fully integrated on-chip, analyses were performed in short assay time (20 min), the sample and reagents consumption was reduced to few microlitres (5 μL) while a low limit of detection can be achieved (about 1 ng mL(-1)).

Evaluation and linking of effective parameters in particle-based models and continuum models for mixing-limited bimolecular reactions

NASA Astrophysics Data System (ADS)

Zhang, Yong; Papelis, Charalambos; Sun, Pengtao; Yu, Zhongbo

2013-08-01

Particle-based models and continuum models have been developed to quantify mixing-limited bimolecular reactions for decades. Effective model parameters control reaction kinetics, but the relationship between the particle-based model parameter (such as the interaction radius R) and the continuum model parameter (i.e., the effective rate coefficient Kf) remains obscure. This study attempts to evaluate and link R and Kf for the second-order bimolecular reaction in both the bulk and the sharp-concentration-gradient (SCG) systems. First, in the bulk system, the agent-based method reveals that R remains constant for irreversible reactions and decreases nonlinearly in time for a reversible reaction, while mathematical analysis shows that Kf transitions from an exponential to a power-law function. Qualitative link between R and Kf can then be built for the irreversible reaction with equal initial reactant concentrations. Second, in the SCG system with a reaction interface, numerical experiments show that when R and Kf decline as t-1/2 (for example, to account for the reactant front expansion), the two models capture the transient power-law growth of product mass, and their effective parameters have the same functional form. Finally, revisiting of laboratory experiments further shows that the best fit factor in R and Kf is on the same order, and both models can efficiently describe chemical kinetics observed in the SCG system. Effective model parameters used to describe reaction kinetics therefore may be linked directly, where the exact linkage may depend on the chemical and physical properties of the system.

Investigation on the quasifission process by theoretical analysis of experimental data of fissionlike reaction products

NASA Astrophysics Data System (ADS)

Giardina, G.; Nasirov, A. K.; Mandaglio, G.; Curciarello, F.; De Leo, V.; Fazio, G.; Manganaro, M.; Romaniuk, M.; Saccá, C.

2011-02-01

The hindrance to complete fusion is a phenomenon presenting in the most part of the capture events in reactions with massive nuclei. This phenomenon is due to the onset of the quasifission process which competes with complete fusion during the evolution of the composed system formed at capture stage. The branching ratio between quasifission and complete fusion strongly depends from different characteristics of reacting nuclei in the entrance channel. The experimental and theoretical investigations of reaction dynamics connected with the formation of composed system is nowadays the main subject of the nuclear reactions. There is ambiguity in establishment of the reaction mechanism leading to the observed binary fissionlike fragments. The correct estimation of the fusion probability is important in planning experiments for the synthesis of superheavy elements. The experimental determination of evaporation residues only is not enough to restore the true reaction dynamics. The experimental observation of fissionlike fragments only cannot assure the correct distinguishing of products of the quasifission, fast fission, and fusion-fission processes which have overlapping in the mass (angular, kinetic energy) distributions of fragments. In this paper we consider a wide set of reactions (with different mass asymmetry and mass symmetry parameters) with the aim to explain the role played by many quantities on the reaction mechanisms. We also present the results of study of the 48Ca+249Bk reaction used to synthesize superheavy nuclei with Z = 117 by the determination of the evaporation residue cross sections and the effective fission barriers < Bf > of excited nuclei formed along the de-excitation cascade of the compound nucleus.

β Decay as a Probe of Explosive Nucleosynthesis in Classical Novae

NASA Astrophysics Data System (ADS)

Wrede, C.; Bennett, M. B.; Liddick, S. N.; Bardayan, D. W.; Bowe, A.; Brown, B. A.; Chen, A. A.; Chipps, K. A.; Cooper, N.; Fry, C.; Glassman, B.; Irvine, D.; José, J.; Langer, C.; Larson, N.; McNeice, E. I.; Meisel, Z.; Montes, F.; Naqvi, F.; Pain, S. D.; O'Malley, P.; Ortez, R.; Ong, W.; Pereira, J.; Pérez-Loureiro, D.; Prokop, C.; Quaglia, J.; Quinn, S.; Santia, M.; Schatz, H.; Schwartz, S. B.; Simon, A.; Shanab, S.; Spyrou, A.; Suchyta, S.; Thiagalingam, E.; Thompson, P.; Walters, M.

Classical novae are common thermonuclear explosions in the Milky Way galaxy, occurring on the surfaces of white-dwarf stars that are accreting hydrogen-rich material from companion stars. Nucleosynthesis in classical novae depends on radiative proton-capture reaction rates on radioactive nuclides. Many of these reactions cannot be measured directly at current accelerator facilities due to the lack of intense, high-quality, radioactive-ion beams at the relevant energies. Since most of these reactions proceed via resonant capture, their rates can be determined indirectly by measuring the properties of the resonances. At the National Superconducting Cyclotron Laboratory, we have used the β-delayed γ decays of 26P and 31Cl to populate resonances in 26Si and 31S and study the radiative proton captures on 25Al and 30P, respectively. These were two out of the three most important nuclear-physics uncertainties associated with the observable products of nova nucleosynthesis. The 26P experiment has enabled a more accurate estimate of the nova contribution to the long-lived Galactic 26Al detected with γ-ray telescopes. The 31Cl experiment, currently under analysis, will calibrate potential nova thermometers and mixing meters based on elemental abundance ratios, and facilitate the identification of pre-solar nova grain candidates found in primitive meteorites based on isotopic ratios.

Prevalence and predictors of human papillomavirus infection in women in Ontario, Canada

PubMed Central

Sellors, John W.; Mahony, James B.; Kaczorowski, Janusz; Lytwyn, Alice; Bangura, Helen; Chong, Sylvia; Lorincz, Attila; Dalby, Dawn M.; Janjusevic, Vladan; Keller, Jana L

2000-01-01

Background Human papillomavirus (HPV) is thought to be the primary cause of cervical intraepithelial neoplasia and cervical cancer. We determined the age-specific prevalence of HPV infection and its risk factors in Ontario women. Methods We obtained 2 cervical specimens from randomly selected women (in 5-year age categories, from 15 to 49 years) who were being seen in 32 family practices for cytologic screening. The specimens were tested for carcinogenic HPV by the hybrid capture II assay (Digene Corp., Silver Spring, Md.) and by polymerase chain reaction (PCR) and genotyping. Results Of 1004 women eligible to participate, samples were obtained from 955 (95.1%). The prevalence of HPV (as determined by the hybrid capture II method) was highest, at 24.0% (95% confidence interval [CI] 16.5% to 31.5%), among women 20 to 24 years of age and was progressively lower in older age groups, reaching 3.4% (95% CI 0.1% to 6.7%) in women 45 to 49 years old. The prevalence of HPV (any type) as determined by PCR showed a similar pattern but was significantly higher (p = 0.01) among women 45 to 49 years old than among those 40 to 44 years old (13.0% [95% CI 6.4% to 19.6%] v. 3.3% [95% CI 0.1% to 6.5%]). Risk factors for positivity with the hybrid capture II method were never-married status, divorced or separated status, more than 3 lifetime partners, more than 1 partner in the preceding year, cigarette smoking and current use of oral contraceptives. The presence of squamous intraepithelial lesions on cytologic examination was strongly associated with positivity with the hybrid capture II assay (odds ratio 96.0, 95% CI 22.3 to 413.4; p < 0.01). Interpretation The highest prevalence of HPV was 24.0%, in women 20 to 24 years old. Risk factors supported a sexual mode of transmission, and there was a strong association between HPV and abnormal cervical cytologic result PMID:11006760

PCR-Free Detection of Genetically Modified Organisms Using Magnetic Capture Technology and Fluorescence Cross-Correlation Spectroscopy

PubMed Central

Zhou, Xiaoming; Xing, Da; Tang, Yonghong; Chen, Wei R.

2009-01-01

The safety of genetically modified organisms (GMOs) has attracted much attention recently. Polymerase chain reaction (PCR) amplification is a common method used in the identification of GMOs. However, a major disadvantage of PCR is the potential amplification of non-target DNA, causing false-positive identification. Thus, there remains a need for a simple, reliable and ultrasensitive method to identify and quantify GMO in crops. This report is to introduce a magnetic bead-based PCR-free method for rapid detection of GMOs using dual-color fluorescence cross-correlation spectroscopy (FCCS). The cauliflower mosaic virus 35S (CaMV35S) promoter commonly used in transgenic products was targeted. CaMV35S target was captured by a biotin-labeled nucleic acid probe and then purified using streptavidin-coated magnetic beads through biotin-streptavidin linkage. The purified target DNA fragment was hybridized with two nucleic acid probes labeled respectively by Rhodamine Green and Cy5 dyes. Finally, FCCS was used to detect and quantify the target DNA fragment through simultaneously detecting the fluorescence emissions from the two dyes. In our study, GMOs in genetically engineered soybeans and tomatoes were detected, using the magnetic bead-based PCR-free FCCS method. A detection limit of 50 pM GMOs target was achieved and PCR-free detection of GMOs from 5 µg genomic DNA with magnetic capture technology was accomplished. Also, the accuracy of GMO determination by the FCCS method is verified by spectrophotometry at 260 nm using PCR amplified target DNA fragment from GM tomato. The new method is rapid and effective as demonstrated in our experiments and can be easily extended to high-throughput and automatic screening format. We believe that the new magnetic bead-assisted FCCS detection technique will be a useful tool for PCR-free GMOs identification and other specific nucleic acids. PMID:19956680

The Low Energy Neutrino Spectrometry (LENS) Experiment and LENS prototype, μLENS, initial results

NASA Astrophysics Data System (ADS)

Yokley, Zachary

2012-03-01

LENS is a low energy solar neutrino detector that will measure the solar neutrino spectrum above 115 keV, >95% of the solar neutrino flux, in real time. The fundamental neutrino reaction in LENS is charged-current based capture on 115-In detected in a liquid scintillator medium. The reaction yields the prompt emission of an electron and the delayed emission of 2 gamma rays that serve as a time & space coincidence tag. Sufficient spatial resolution is used to exploit this signature and suppress background, particularly due to 115-In beta decay. A novel design of optical segmentation (Scintillation Lattice or SL) channels the signal light along the three primary axes. The channeling is achieved via total internal reflection by suitable low index gaps in the segmentation. The spatial resolution of a nuclear event is obtained digitally, much more precisely than possible by common time of flight methods. Advanced Geant4 analysis methods have been developed to suppress adequately the severe background due to 115-In beta decay, achieving at the same time high detection efficiency. LENS physics and detection methods along with initial results characterizing light transport in the as built μLENS prototype will be presented.

Analysis of the photoneutron activation effects generated by 9 MeV X-ray in a container cargo inspection facility.

PubMed

Cho, Young Ho; Kang, Bo Sun

2010-06-01

The X-ray container cargo inspection facility is extensively implemented with the key objective to counter international terrorism and illicit smuggling of the contraband items via the ports. However, activation products are generated from photoneutron capture reactions in the high-energy X-ray container cargo inspection facility. The activation products release inherent delayed radiations which occupational workers are exposed to. In this study, the activation products are estimated using Monte Carlo method and radiation safety of the facility in terms of occupational dose is reviewed.

An artificial nonlinear diffusivity method for supersonic reacting flows with shocks

NASA Astrophysics Data System (ADS)

Fiorina, B.; Lele, S. K.

2007-03-01

A computational approach for modeling interactions between shocks waves, contact discontinuities and reactions zones with a high-order compact scheme is investigated. To prevent the formation of spurious oscillations around shocks, artificial nonlinear viscosity [A.W. Cook, W.H. Cabot, A high-wavenumber viscosity for high resolution numerical method, J. Comput. Phys. 195 (2004) 594-601] based on high-order derivative of the strain rate tensor is used. To capture temperature and species discontinuities a nonlinear diffusivity based on the entropy gradient is added. It is shown that the damping of 'wiggles' is controlled by the model constants and is largely independent of the mesh size and the shock strength. The same holds for the numerical shock thickness and allows a determination of the L2 error. In the shock tube problem, with fluids of different initial entropy separated by the diaphragm, an artificial diffusivity is required to accurately capture the contact surface. Finally, the method is applied to a shock wave propagating into a medium with non-uniform density/entropy and to a CJ detonation wave. Multi-dimensional formulation of the model is presented and is illustrated by a 2D oblique wave reflection from an inviscid wall, by a 2D supersonic blunt body flow and by a Mach reflection problem.

Aptamer-based hydrogel barcodes for the capture and detection of multiple types of pathogenic bacteria.

PubMed

Xu, Yueshuang; Wang, Huan; Luan, Chengxin; Liu, Yuxiao; Chen, Baoan; Zhao, Yuanjin

2018-02-15

Rapid and sensitive diagnosing hematological infections based on the separation and detection of pathogenic bacteria in the patient's blood is a significant challenge. To address this, we herein present a new barcodes technology that can simultaneously capture and detect multiple types of pathogenic bacteria from a complex sample. The barcodes are poly (ethylene glycol) (PEG) hydrogel inverse opal particles with characteristic reflection peak codes that remain stable during bacteria capture on their surfaces. As the spherical surface of the particles has ordered porous nanostructure, the barcodes can provide not only more surface area for probe immobilization and reaction, but also a nanopatterned platform for highly efficient bioreactions. In addition, the PEG hydrogel scaffold could decrease the non-specificity adsorption by its anti-adhesive effect, and the decorated aptamer probes in the scaffolds could increase the sensitivity, reliability, and specificity of the bacteria capture and detection. Moreover, the tagged magnetic nanoparticles in the PEG scaffold could impart the barcodes with controllable movement under magnetic fields, which can be used to significantly increase the reaction speed and simplify the processing of the bioassays. Based on the describe barcodes, it was demonstrated that the bacteria could be captured and identified even at low bacterial concentrations (100 CFU mL -1 ) within 2.5h, which is effectively shortened in comparison with the "gold standard" in clinic. These features make the barcodes ideal for capturing and detecting multiple bacteria from clinical samples for hematological infection diagnostics. Copyright © 2017 Elsevier B.V. All rights reserved.

Attrition-enhanced sulfur capture by limestone particles in fluidized beds

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

Saastamoinen, J.J.; Shimizu, T.

2007-02-14

Sulfur capture by limestone particles in fluidized beds is a well-established technology. The underlying chemical and physical phenomena of the process have been extensively studied and modeled. However, most of the studies have been focused on the relatively brief initial stage of the process, which extends from a few minutes to hours, yet the residence time of the particles in the boiler is much longer. Following the initial stage, a dense product layer will be formed on the particle surface, which decreases the rate of sulfur capture and the degree of utilization of the sorbent. Attrition can enhance sulfur capturemore » by removing this layer. A particle model for sulfur capture has been incorporated with an attrition model. After the initial stage, the rate of sulfur capture stabilizes, so that attrition removes the surface at the same rate as diffusion and chemical reaction produces new product in a thin surface layer of a particle. An analytical solution for the conversion of particles for this regime is presented. The solution includes the effects of the attrition rate, diffusion, chemical kinetics, pressure, and SO{sub 2} concentration, relative to conversion-dependent diffusivity and the rate of chemical reaction. The particle model results in models that describe the conversion of limestone in both fly ash and bottom ash. These are incorporated with the residence time (or reactor) models to calculate the average conversion of the limestone in fly ash and bottom ash, as well as the efficiency of sulfur capture. Data from a large-scale pressurized fluidized bed are compared with the model results.« less

Mars Atmospheric Capture and Gas Separation

NASA Technical Reports Server (NTRS)

Muscatello, Anthony; Santiago-Maldonado, Edgardo; Gibson, Tracy; Devor, Robert; Captain, James

2011-01-01

The Mars atmospheric capture and gas separation project is selecting, developing, and demonstrating techniques to capture and purify Martian atmospheric gases for their utilization for the production of hydrocarbons, oxygen, and water in ISRU systems. Trace gases will be required to be separated from Martian atmospheric gases to provide pure C02 to processing elements. In addition, other Martian gases, such as nitrogen and argon, occur in concentrations high enough to be useful as buffer gas and should be captured as welL To achieve these goals, highly efficient gas separation processes will be required. These gas separation techniques are also required across various areas within the ISRU project to support various consumable production processes. The development of innovative gas separation techniques will evaluate the current state-of-the-art for the gas separation required, with the objective to demonstrate and develop light-weight, low-power methods for gas separation. Gas separation requirements include, but are not limited to the selective separation of: (1) methane and water from un-reacted carbon oxides (C02- CO) and hydrogen typical of a Sabatier-type process, (2) carbon oxides and water from unreacted hydrogen from a Reverse Water-Gas Shift process, (3) carbon oxides from oxygen from a trash/waste processing reaction, and (4) helium from hydrogen or oxygen from a propellant scavenging process. Potential technologies for the separations include freezers, selective membranes, selective solvents, polymeric sorbents, zeolites, and new technologies. This paper and presentation will summarize the results of an extensive literature review and laboratory evaluations of candidate technologies for the capture and separation of C02 and other relevant gases.

Isomeric ratio measurements for the radiative neutron capture 176Lu(n,γ) at DANCE

NASA Astrophysics Data System (ADS)

Denis-Petit, D.; Roig, O.; Méot, V.; Jandel, M.; Vieira, D. J.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.

2016-03-01

The isomeric ratio for the neutron capture reaction 176Lu(n,γ) on the Jπ= 5/2-, 761.7 keV, T1/2=32.8 ns level of 177mLu, has been determined in the neutron energy range 8.5 eV-100 keV for the first time using the DANCE array at the Los Alamos National Laboratory.

The development of an explicit thermochemical nonequilibrium algorithm and its application to compute three dimensional AFE flowfields

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

This study presents a three-dimensional explicit, finite-difference, shock-capturing numerical algorithm applied to viscous hypersonic flows in thermochemical nonequilibrium. The algorithm employs a two-temperature physical model. Equations governing the finite-rate chemical reactions are fully-coupled to the gas dynamic equations using a novel coupling technique. The new coupling method maintains stability in the explicit, finite-rate formulation while allowing relatively large global time steps. The code uses flux-vector accuracy. Comparisons with experimental data and other numerical computations verify the accuracy of the present method. The code is used to compute the three-dimensional flowfield over the Aeroassist Flight Experiment (AFE) vehicle at one of its trajectory points.

Characterization of the reactive and dissociative behavior of transition metal oxide cluster ions in the gas phase.

PubMed

Maleknia, S; Brodbelt, J; Pope, K

1991-05-01

The reactive and dissociative behavior of molybdenum and tungsten oxide cluster ions has been studied in the gas phase using a triple quadrupole mass spectrometer. Cluster ions (MO3) n (-) were formed via a simple thermal desorption/electron capture negative ionization method, and their structures were characterized by collision-activated dissociation (CAD). Typically, the clusters fragment by losses of neutral (MO3) units. Reactions of the oxide cluster ions with ethylene oxide, cyclohexene oxide, ethylene sulfide cyclohexene sulfide, 2,3-butanedione, and 2,4-pentanedione were examined, and product ions were characterized by CAD. The clusters react with ethylene oxide by addition of ethylene oxide or net addition of oxygen, whereas the clusters react with ethylene sulfide via net addition of one or two sulfur atoms. Reactions of the clusters with the diones result in addition of one or two dione units, in some cases with dehydration.

Cross-linking gold nanoparticles aggregation method based on localised surface plasmon resonance for quantitative detection of miR-155.

PubMed

Esmaeili-Bandboni, Aghil; Amini, Seyed Mohammad; Faridi-Majidi, Reza; Bagheri, Jamshid; Mohammadnejad, Javad; Sadroddiny, Esmaeil

2018-06-01

MiR-155 plays a critical role in the formation of cancers and other diseases. In this study, the authors aimed to design and fabricate a biosensor based on cross-linking gold nanoparticles (AuNPs) aggregation for the detection and quantification of miR-155. Also, they intended to compare this method with SYBR Green real-time polymerase chain reaction (PCR). Primers for real-time PCR, and two thiolated capture probes for biosensor, complementary with miR-155, were designed. Citrate capped AuNPs (18.7 ± 3.6 nm) were synthesised and thiolated capture probes immobilised to AuNPs. The various concentrations of synthetic miR-155 were measured by this biosensor and real-time PCR method. Colorimetric changes were studied, and the calibration curves were plotted. Results showed the detection limit of 10 nM for the fabricated biosensor and real-time PCR. Also, eye detection using colour showed the weaker detection limit (1 µM), for this biosensor. MiR-133b as the non-complementary target could not cause a change in both colour and UV-visible spectrum. The increase in hydrodynamic diameter and negative zeta potential of AuNPs after the addition of probes verified the biosensor accurately fabricated. This fabricated biosensor could detect miR-155 simpler and faster than previous methods.

Measurements of 67Ga production cross section induced by protons on natZn in the low energy range from 1.678 to 2.444 MeV

NASA Astrophysics Data System (ADS)

Wachter, J. A.; Miranda, P. A.; Morales, J. R.; Cancino, S. A.; Correa, R.

2015-02-01

The experimental production cross section for the reaction natZn(p,x)67Ga has been measured in the energy range from 1.678 to 2.444 MeV. The methodology used in this work is based on characteristic X-ray emitted after irradiation by the daughter nuclei that decays by electron capture (EC) and the use of a complementary PIXE experiment. By doing so, expressions needed to determine cross section values are simplified since experimental factors such as geometric setup and an detector efficiency are avoided. 67Ga is a radionuclide particularly suited for this method since it decays by electron capture in 100% and the subsequent characteristic X-ray emission is easily detected. Natural zinc targets were fabricated by PVD technique and afterwards their thicknesses were determined by Rutherford Backscattering Spectrometry. Cross sections measurements were carried out by using the Van de Graaff accelerator located at Faculty of Sciences, University of Chile. It was found that our data for the natZn(p,x)67Ga reaction are, in general, in good agreement when compared to existing experimental data and to those calculated ALICE/ASH nuclear code. On the other hand, values predicted by Talys-1.6 are showing systematically lower magnitudes than our measured data.

Design of SECAR a recoil mass separator for astrophysical capture reactions with radioactive beams

NASA Astrophysics Data System (ADS)

Berg, G. P. A.; Couder, M.; Moran, M. T.; Smith, K.; Wiescher, M.; Schatz, H.; Hager, U.; Wrede, C.; Montes, F.; Perdikakis, G.; Wu, X.; Zeller, A.; Smith, M. S.; Bardayan, D. W.; Chipps, K. A.; Pain, S. D.; Blackmon, J.; Greife, U.; Rehm, K. E.; Janssens, R. V. F.

2018-01-01

A recoil mass separator SECAR has been designed for the purpose of studying low-energy (p , γ) and (α , γ) reactions in inverse kinematics with radioactive beams for masses up to about A = 65. Their reaction rates are of importance for our understanding of the energy production and nucleosynthesis during explosive hydrogen and helium burning. The radiative capture reactions take place in a windowless hydrogen or He gas target at the entrance of the separator, which consists of four Sections. The first Section selects the charge state of the recoils. The second and third Sections contain Wien Filters providing high mass resolving power to separate efficiently the intense beam from the few reaction products. In the following fourth Section, the reaction products are guided into a detector system capable of position, angle and time-of-flight measurements. In order to accept the complete kinematic cone of recoil particles including multiple scattering in the target in the center of mass energy range of 0.2 MeV to 3.0 MeV, the system must have a large polar angle acceptance of ± 25 mrad. This requires a careful minimization of higher order aberrations. The present system will be installed at the NSCL ReA3 accelerator and will be used with the much higher beam intensities of the FRIB facility when it becomes available.

Design of SECAR a recoil mass separator for astrophysical capture reactions with radioactive beams

DOE PAGES

Berg, G. P. A.; Couder, M.; Moran, M. T.; ...

2017-09-25

A recoil mass separator SECAR has been designed for the purpose of studying low-energy (p,γ) and (α,γ) reactions in inverse kinematics with radioactive beams for masses up to about A = 65. Their reaction rates are of importance for our understanding of the energy production and nucleosynthesis during explosive hydrogen and helium burning. The radiative capture reactions take place in a windowless hydrogen or He gas target at the entrance of the separator, which consists of four Sections. The first Section selects the charge state of the recoils. The second and third Sections contain Wien Filters providing high mass resolvingmore » power to separate efficiently the intense beam from the few reaction products. In the following fourth Section, the reaction products are guided into a detector system capable of position, angle and time-of-flight measurements. In order to accept the complete kinematic cone of recoil particles including multiple scattering in the target in the center of mass energy range of 0.2 MeV to 3.0 MeV, the system must have a large polar angle acceptance of ± 25 mrad. This requires a careful minimization of higher order aberrations. Furthermore, the present system will be installed at the NSCL ReA3 accelerator and will be used with the much higher beam intensities of the FRIB facility when it becomes available.« less

Detection of Nucleic Acids in Complex Samples via Magnetic Microbead-assisted Catalyzed Hairpin Assembly and "DD-A" FRET.

PubMed

Fang, Hongmei; Xie, Nuli; Ou, Min; Huang, Jin; Li, Wenshan; Wang, Qing; Liu, Jianbo; Yang, Xiaohai; Wang, Kemin

2018-05-21

Nucleic acids, as one kind of significant biomarkers, have attracted tremendous attention and exhibited immense value in fundamental studies and clinical applications. In this work, we developed a fluorescent assay for detecting nucleic acids in complex samples based on magnetic microbead (MMB)-assisted catalyzed hairpin assembly (CHA) and donor donor-acceptor fluorescence resonance energy transfer ("DD-A" FRET) signaling mechanism. Three types of DNA hairpin probes were employed in this system, including Capture, H1 (double FAM-labelled probe as FRET donor) and H2 (TAMRA-labelled probe as FRET acceptor). Firstly, the Captures immobilized on MMBs bound to targets in complex samples, and the sequences in Captures that could trigger catalyzed hairpin assembly (CHA) were exposed. Then, target-enriched MMBs complexes were separated and resuspended in the reaction buffer containing H1 and H2. As a result, numerous H1-H2 duplexes were formed during CHA process, inducing an obvious FRET signal. In contrast, CHA could not be trigger and the FRET signal was weak while target was absent. With the aid of magnetic separation and "DD-A" FRET, it was demonstrated to effectively eliminate errors from background interference. Importantly, this strategy realized amplified detection in buffer, with detection limits of microRNA as low as 34 pM. Furthermore, this method was successfully applied to detect microRNA-21 in serum and cell culture media. The results showed that our method has the potential for biomedical research and clinical application.

Microfluidic immunosensor for rapid and highly-sensitive salivary cortisol quantification.

PubMed

Pinto, V; Sousa, P; Catarino, S O; Correia-Neves, M; Minas, G

2017-04-15

This paper presents a novel poly(dimethylsiloxane) (PDMS) microfluidic immunosensor that integrates a complementary metal-oxide-semiconductor (CMOS) optical detection system for a rapid and highly-sensitive quantification of salivary cortisol. The simple and non-invasive method of saliva sampling provides an interesting alternative to the blood, allowing a fast sampling at short intervals, relevant for many clinical diagnostic applications. The developed approach is based on the covalent immobilization of a coating antibody (Ab), a polyclonal anti-IgG, onto a treated PDMS surface. The coating Ab binds the capture Ab, an IgG specific for cortisol, allowing its correct orientation. Horseradish peroxidase (HRP)-labelled cortisol is added to compete with the cortisol in the sample, for the capture Ab binding sites. The HRP-labelled cortisol, bonded to the capture Ab, is measured through the HRP enzyme and the tetramethylbenzidine (TMB) substrate reaction. The cortisol quantification is performed by colorimetric detection of HRP-labelled cortisol, through optical absorption at 450nm, using a CMOS silicon photodiode as the photodetector. Under the developed optimized conditions presented here, e.g., microfluidic channels geometry, immobilization method and immunoassay conditions, the immunosensor shows a linear range of detection between 0.01-20ng/mL, a limit of detection (LOD) of 18pg/mL and an analysis time of 35min, featuring a great potential for point-of-care applications requiring continuous monitoring of the salivary cortisol levels during a circadian cycle. Copyright © 2016 Elsevier B.V. All rights reserved.

DNA strand displacement reaction for programmable release of biomolecules.

PubMed

Ramezani, Hamid; Jed Harrison, D

2015-05-14

Sample cleanup is a major processing step in many analytical assays. Here, we propose an approach to capture-and-release of analytes based on the DNA strand displacement reaction (SDR) and demonstrate its application to a fluoroimmunoassay on beads for a thyroid cancer biomarker, thyroglobulin. The SDR-based cleanup showed no interference from matrix molecules in serum.

Development of monoclonal antibody-based sandwich ELISA for detection of dextran.

PubMed

Wang, Sheng-Yu; Li, Zhe; Wang, Xian-Jiang; Lv, Sha; Yang, Yun; Zeng, Lian-Qiang; Luo, Fang-Hong; Yan, Jiang-Hua; Liang, Da-Feng

2014-10-01

Dextran as anti-nutritional factor is usually a result of bacteria activity and has associated serial problems during the process stream in the sugar industry and in medical therapy. A sensitive method is expected to detect dextran quantitatively. Here we generated four monoclonal antibodies (MAbs) against dextran using dextran T40 conjugated with bovine serum albumin (BSA) as immunogen in our lab following hybridoma protocol. Through pairwise, an MAb named D24 was determined to be conjugated with horseradish peroxidase (HRP) and was used in the establishment of a sensitive sandwich enzyme-linked immunosorbent assay (ELISA) method for determination of dextran, in which MAb D9 was chosen as a capture antibody. The detection limit and working scope of the developed sandwich ELISA method were 3.9 ng/mL and 7.8-500 ng/mL with a correlation coefficient of 0.9909. In addition, the cross-reaction assay demonstrated that the method possessed high specificity with no significant cross-reaction with dextran-related substances, and the recovery rate ranged from 96.35 to 102.00%, with coefficient of variation ranging from 1.58 to 6.94%. These results indicated that we developed a detection system of MAb-based sandwich ELISA to measure dextran and this system should be a potential tool to determine dextran levels.

Communication: Low-energy free-electron driven molecular engineering: In situ preparation of intrinsically short-lived carbon-carbon covalent dimer of CO

NASA Astrophysics Data System (ADS)

Davis, Daly; Sajeev, Y.

2017-02-01

Molecular modification induced through the resonant attachment of a low energy electron (LEE) is a novel approach for molecular engineering. In this communication, we explore the possibility to use the LEE as a quantum tool for the in situ preparation of short lived molecules. Using ab initio quantum chemical methods, this possibility is best illustrated for the in situ preparation of the intrinsically short-lived carbon-carbon covalent dimer of CO from a glyoxal molecule. The chemical conversion of glyoxal to the covalent dimer of CO is initiated and driven by the resonant capture of a near 11 eV electron by the glyoxal molecule. The resulting two-particle one-hole (2p-1h) negative ion resonant state (NIRS) of the glyoxal molecule undergoes a barrierless radical dehydrogenation reaction and produces the covalent dimer of CO. The autoionization electron spectra from the 2p-1h NIRS at the dissociation limit of the dehydrogenation reaction provides access to the electronic states of the CO dimer. The overall process is an example of a catalytic electron reaction channel.

Feasibility study of nuclear transmutation by negative muon capture reaction using the PHITS code

NASA Astrophysics Data System (ADS)

Abe, Shin-ichiro; Sato, Tatsuhiko

2016-06-01

Feasibility of nuclear transmutation of fission products in high-level radioactive waste by negative muon capture reaction is investigated using the Particle and Heave Ion Transport code System (PHITS). It is found that about 80 % of stopped negative muons contribute to transmute target nuclide into stable or short-lived nuclide in the case of 135Cs, which is one of the most important nuclide in the transmutation. The simulation result also indicates that the position of transmutation is controllable by changing the energy of incident negative muon. Based on our simulation, it takes approximately 8.5 × 108years to transmute 500 g of 135Cs by negative muon beam with the highest intensity currently available.

Controlling reactivity of nanoporous catalyst materials by tuning reaction product-pore interior interactions: Statistical mechanical modeling

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

Wang, Jing; Ackerman, David M.; Lin, Victor S.-Y.

2013-04-02

Statistical mechanical modeling is performed of a catalytic conversion reaction within a functionalized nanoporous material to assess the effect of varying the reaction product-pore interior interaction from attractive to repulsive. A strong enhancement in reactivity is observed not just due to the shift in reaction equilibrium towards completion but also due to enhanced transport within the pore resulting from reduced loading. The latter effect is strongest for highly restricted transport (single-file diffusion), and applies even for irreversible reactions. The analysis is performed utilizing a generalized hydrodynamic formulation of the reaction-diffusion equations which can reliably capture the complex interplay between reactionmore » and restricted transport.« less

Combustion Of Metals In Reduced Gravity And Extraterrestrial Environments

NASA Technical Reports Server (NTRS)

Abbud-Madrid, A.; Modak, A.; Branch, M. C.

2003-01-01

The recent focus of this research project has been to model the combustion of isolated metal droplets and, in particular, to couple the existing theories and formulations of phenomena such as condensation, reaction kinetics, radiation, and surface reactions to formulate a more complete combustion model. A fully transient, one-dimensional (spherical symmetry) numerical model that uses detailed chemical kinetics, multi-component molecular transport mechanisms, condensation kinetics, and gas phase radiation heat transfer was developed. A coagulation model was used to simulate the particulate formation of MgO. The model was used to simulate the combustion of an Mg droplet in pure O2 and CO2. Methanol droplet combustion is considered as a test case for the solution method for both quasi-steady and fully transient simulations. Although some important processes unique to methanol combustion, such as water absorption at the surface, are not included in the model, the results are in sufficient agreement with the published data. Since the major part of the heat released in combustion of Mg, and in combustion of metals in general, is due to the condensation of the metal oxide, it is very important to capture the condensation processes correctly. Using the modified nucleation theory, an Arrhenius type rate expression is derived to calculate the condensation rate of MgO. This expression can be easily included in the CHEMKIN reaction mechanism format. Although very little property data is available for MgO, the condensation rate expression derived using the existing data is able to capture the condensation of MgO. An appropriate choice of the reference temperature to calculate the rate coefficients allows the model to correctly predict the subsequent heat release and hence the flame temperature.

Plasmon-driven sequential chemical reactions in an aqueous environment.

PubMed

Zhang, Xin; Wang, Peijie; Zhang, Zhenglong; Fang, Yurui; Sun, Mengtao

2014-06-24

Plasmon-driven sequential chemical reactions were successfully realized in an aqueous environment. In an electrochemical environment, sequential chemical reactions were driven by an applied potential and laser irradiation. Furthermore, the rate of the chemical reaction was controlled via pH, which provides indirect evidence that the hot electrons generated from plasmon decay play an important role in plasmon-driven chemical reactions. In acidic conditions, the hot electrons were captured by the abundant H(+) in the aqueous environment, which prevented the chemical reaction. The developed plasmon-driven chemical reactions in an aqueous environment will significantly expand the applications of plasmon chemistry and may provide a promising avenue for green chemistry using plasmon catalysis in aqueous environments under irradiation by sunlight.

Plasmon-driven sequential chemical reactions in an aqueous environment

PubMed Central

Zhang, Xin; Wang, Peijie; Zhang, Zhenglong; Fang, Yurui; Sun, Mengtao

2014-01-01

Plasmon-driven sequential chemical reactions were successfully realized in an aqueous environment. In an electrochemical environment, sequential chemical reactions were driven by an applied potential and laser irradiation. Furthermore, the rate of the chemical reaction was controlled via pH, which provides indirect evidence that the hot electrons generated from plasmon decay play an important role in plasmon-driven chemical reactions. In acidic conditions, the hot electrons were captured by the abundant H+ in the aqueous environment, which prevented the chemical reaction. The developed plasmon-driven chemical reactions in an aqueous environment will significantly expand the applications of plasmon chemistry and may provide a promising avenue for green chemistry using plasmon catalysis in aqueous environments under irradiation by sunlight. PMID:24958029

Abbott prism: a multichannel heterogeneous chemiluminescence immunoassay analyzer.

PubMed

Khalil, O S; Zurek, T F; Tryba, J; Hanna, C F; Hollar, R; Pepe, C; Genger, K; Brentz, C; Murphy, B; Abunimeh, N

1991-09-01

We describe a multichannel heterogeneous immunoassay analyzer in which a sample is split between disposable reaction trays in a group of linear tracks. The system's pipettor uses noninvasive sensing of the sample volume and disposable pipet tips. Each assay track has (a) a conveyor belt for moving reaction trays to predetermined functional stations, (b) temperature-controlled tunnels, (c) noncontact transfer of the reaction mixture between incubation and detection wells, and (d) single-photon counting to detect a chemiluminescence (CL) signal from the captured immunochemical product. A novel disposable reaction tray, with separate reaction and detection wells and self-contained fluid removal, is used in conjunction with the transfer device on the track to produce a carryover-free system. The linear immunoassay track has nine predetermined positions for performing individual assay steps. Assay step sequence and timing is selected by changing the location of the assay modules between these predetermined positions. The assay methodology, a combination of microparticle capture and direct detection of a CL signal on a porous matrix, offers excellent sensitivity, specificity, and ease of automation. Immunoassay configurations have been tested for hepatitis B surface antigen and for antibodies to hepatitis B core antigen, hepatitis C virus, human immunodeficiency virus I and II, and human T-cell leukemia virus I and II.

Tandem mass spectrometry measurement of the collision products of carbamate anions derived from CO2 capture sorbents: paving the way for accurate quantitation.

PubMed

Jackson, Phil; Fisher, Keith J; Attalla, Moetaz Ibrahim

2011-08-01

The reaction between CO(2) and aqueous amines to produce a charged carbamate product plays a crucial role in post-combustion capture chemistry when primary and secondary amines are used. In this paper, we report the low energy negative-ion CID results for several anionic carbamates derived from primary and secondary amines commonly used as post-combustion capture solvents. The study was performed using the modern equivalent of a triple quadrupole instrument equipped with a T-wave collision cell. Deuterium labeling of 2-aminoethanol (1,1,2,2,-d(4)-2-aminoethanol) and computations at the M06-2X/6-311++G(d,p) level were used to confirm the identity of the fragmentation products for 2-hydroxyethylcarbamate (derived from 2-aminoethanol), in particular the ions CN(-), NCO(-) and facile neutral losses of CO(2) and water; there is precedent for the latter in condensed phase isocyanate chemistry. The fragmentations of 2-hydroxyethylcarbamate were generalized for carbamate anions derived from other capture amines, including ethylenediamine, diethanolamine, and piperazine. We also report unequivocal evidence for the existence of carbamate anions derived from sterically hindered amines (Tris(2-hydroxymethyl)aminomethane and 2-methyl-2-aminopropanol). For the suite of carbamates investigated, diagnostic losses include the decarboxylation product (-CO(2), 44 mass units), loss of 46 mass units and the fragments NCO(-) (m/z 42) and CN(-) (m/z 26). We also report low energy CID results for the dicarbamate dianion ((-)O(2)CNHC(2)H(4)NHCO(2)(-)) commonly encountered in CO(2) capture solution utilizing ethylenediamine. Finally, we demonstrate a promising ion chromatography-MS based procedure for the separation and quantitation of aqueous anionic carbamates, which is based on the reported CID findings. The availability of accurate quantitation methods for ionic CO(2) capture products could lead to dynamic operational tuning of CO(2) capture-plants and, thus, cost-savings via real-time manipulation of solvent regeneration energies.

Detection of hepatitis C virus RNA using ligation-dependent polymerase chain reaction in formalin-fixed, paraffin-embedded liver tissues.

PubMed Central

Park, Y. N.; Abe, K.; Li, H.; Hsuih, T.; Thung, S. N.; Zhang, D. Y.

1996-01-01

Reverse transcription polymerase chain reaction (RT-PCR) has been used to detect hepatitis C virus (HCV) sequences in liver tissue. However, RT-PCR has a variable detection sensitivity, especially on routinely processed formalin-fixed, paraffin-embedded (FFPE) specimens. RNA-RNA and RNA-protein cross-links formed during formalin fixation is the major limiting factor preventing reverse trans criptase from extending the primers. To overcome this problem, we applied the ligation-dependent PCR (LD-PCR) for the detection of HCV RNA in FFPE liver tissue. This method uses two capture probes for RNA isolation and two hemiprobes for the subsequent PCR. Despite cross-links, the capture probes and the hemiprobes are able to form hybrids with HCV RNAs released from the FFPE tissue. The hybrids are isolated through binding of the capture probes to paramagnetic beads. The hemiprobes are then ligated by a T4 DNA ligase to form a full probe that serves as a template for the Taq DNA polymerase. A total of 22 FFPE liver specimens, 21 with hepatocellular carcinoma (HCC) and 1 with biliary cirrhosis secondary to bile duct atresia were selected for this study, of which 13 patients were HCV seropositive and 9 seronegative. HCV RNA was detectable by ID-PCR from all 13 HCV-seropositive HCCs and from 5 of 8 HCV-seronegative HCCs but not from the HCV-seronegative liver with biliary atresia. By contrast, RT-PCR detected HCV sequences in only 5 of the HCV-sero-positive and in 1 of the HCV-seronegative HCCs. To resolve the discordance between the LD-PCR and RT-PCR results, RT-PCR was performed on frozen liver tissue of the discrepant specimens, which confirmed the LD-PCR positive results. In conclusion, LD-PCR is a more sensitive method than RT-PCR for the detection of HCV sequences in routinely processed liver tissues. A high rate of HCV infection (86%) is found in HCC specimens, indicating a previously underestimated role of HCV in HCC pathogenesis. Images Figure 2 PMID:8909238

Reducing Energy-Related CO2 Emissions Using Accelerated Limestone Weathering

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

Rau, G H; Knauss, K G; Langer, W H

2004-04-27

Following earlier descriptions, the use and impacts of accelerated weathering of limestone AWL; reaction: CO{sub 2} + H{sub 2}O + CaCO{sub 3} {yields} Ca{sup 2+} + 2(HCO{sub 3}{sup -}) as a CO{sub 2} capture and sequestration method is further explored. Since ready access to the ocean is likely an essential requirement for AWL, it is shown that significant limestone resources are relatively close to a majority of CO{sub 2}-emitting power plants along the coastal US. Furthermore, waste fines, representing more than 20% of current US crushed limestone production (>10{sup 9} tonnes/yr), could be used in many instances as an inexpensivemore » or free source of AWL carbonate. With limestone transportation to coastal sites then as the dominant cost variable, CO{sub 2} sequestration (plus capture) costs of $3-$4/tonne are achievable in certain locations. While there is vastly more limestone and water on earth than that required for AWL to capture and sequester all fossil fuel CO{sub 2} production, the transportation cost of bringing limestone, seawater, and waste CO{sub 2} into contact likely limits the method's applicability to perhaps 10-20% of US point-source emissions. Using a bench-scale laboratory reactor, it is shown that CO{sub 2} sequestration rates of 10{sup -6} to 10{sup -5} moles/sec per m{sup 2} of limestone surface area are readily achievable using seawater. This translates into reaction densities as high as 2 x 10{sup -2} tonnes CO{sub 2} m{sup -3}day{sup -1}, highly dependent on limestone particle size, solution turbulence and flow, and CO{sub 2} concentration. Modeling of AWL end-solution disposal in the ocean shows significantly reduced effects on ocean pH and carbonate chemistry relative to those caused by direct CO{sub 2} disposal into the atmosphere or ocean. In fact the increase in ocean Ca{sup 2+} and bicarbonate offered by AWL should significantly enhance the growth of corals and other marine calcifiers whose health is currently being threatened by anthropogenic CO{sub 2} invasion and pH reduction in the ocean.« less

Neutron capture reactions at DANCE

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

Bredeweg, T. A.

2008-05-12

The Detector for Advanced Neutron Capture Experiments (DANCE) is a 4{pi} BaF{sub 2} array consisting of 160 active detector elements. The primary purpose of the array is to perform neutron capture cross section measurements on small (> or approx.100 {mu}g) and/or radioactive (< or approx. 100 mCi) species. The measurements made possible with this array will be useful in answering outstanding questions in the areas of national security, threat reduction, nuclear astrophysics, advanced reactor design and accelerator transmutation of waste. Since the commissioning of DANCE we have performed neutron capture cross section measurements on a wide array of medium tomore » heavy mass nuclides. Measurements to date include neutron capture cross sections on {sup 241,243}Am, neutron capture and neutron-induced fission cross sections and capture-to-fission ratio ({alpha} = {sigma}{sub {gamma}}/{sigma}{sub f}) for {sup 235}U using a new fission-tagging detector as well as neutron capture cross sections for several astrophysics branch-point nuclei. Results from several of these measurements will be presented along with a discussion of additional physics information that can be extracted from the DANCE data.« less

Multiscale Metabolic Modeling of C4 Plants: Connecting Nonlinear Genome-Scale Models to Leaf-Scale Metabolism in Developing Maize Leaves

PubMed Central

Bogart, Eli; Myers, Christopher R.

2016-01-01

C4 plants, such as maize, concentrate carbon dioxide in a specialized compartment surrounding the veins of their leaves to improve the efficiency of carbon dioxide assimilation. Nonlinear relationships between carbon dioxide and oxygen levels and reaction rates are key to their physiology but cannot be handled with standard techniques of constraint-based metabolic modeling. We demonstrate that incorporating these relationships as constraints on reaction rates and solving the resulting nonlinear optimization problem yields realistic predictions of the response of C4 systems to environmental and biochemical perturbations. Using a new genome-scale reconstruction of maize metabolism, we build an 18000-reaction, nonlinearly constrained model describing mesophyll and bundle sheath cells in 15 segments of the developing maize leaf, interacting via metabolite exchange, and use RNA-seq and enzyme activity measurements to predict spatial variation in metabolic state by a novel method that optimizes correlation between fluxes and expression data. Though such correlations are known to be weak in general, we suggest that developmental gradients may be particularly suited to the inference of metabolic fluxes from expression data, and we demonstrate that our method predicts fluxes that achieve high correlation with the data, successfully capture the experimentally observed base-to-tip transition between carbon-importing tissue and carbon-exporting tissue, and include a nonzero growth rate, in contrast to prior results from similar methods in other systems. PMID:26990967

Nanosilver-based surface-enhanced Raman spectroscopic determination of DNA methyltransferase activity through real-time hybridization chain reaction.

PubMed

Hu, Ping Ping; Liu, Hui; Zhen, Shu Jun; Li, Chun Mei; Huang, Cheng Zhi

2015-11-15

In this manuscript, a nanosilver enhanced SERS strategy was successfully constructed for the determination of DNA methyltransferase activity in soulution combined with hybridization chain reaction (HCR). The proposed method was mainly on the basis of excellent separation ability of magnetic microparticles (MMPs), HCR as signal amplification unit and assembled AgNPs as enhancement substrate. In the presence of M. SssI MTase, the duplex sequence (5'-CCGG-3') tethered to MMPs was methylated, which cannot be cleaved by HpaII endonuclease. The resulted DNA skeleton captured on MMPs then triggered the HCR reaction, generated a polymerized and extended symmetrical sequence, in which more biotin terminal was available for the conjugation of AgNPs-SA, leading to significantly amplified SERS response. When it was used to analyze M. SssI activity, a linear equation ∆ISERS=1215.32+446.80 cM.SssI was obtained with the M. SssI activity ranged from 0.1 to 10.0 U with the correlation coefficient (r(2)) of 0.97. The most important advantage of this method is the combination of SERS and HCR in solution for the first time and its good selectivity, which enabled the detection of even one-base mismatched sequence. The new assay method holds great promising application to be a versatile platform for sensitive, high-throughput detection, and the screening of new anticancer drugs on DNA MTase. Copyright © 2015 Elsevier B.V. All rights reserved.

Reaction μ-+6Li-->3H+3H+νμ and the axial current form factor in the timelike region

NASA Astrophysics Data System (ADS)

Mintz, S. L.

1983-09-01

The differential muon-capture rate dΓdET is obtained for the reaction μ-+6Li-->3H+3H+νμ over the allowed range of ET, the tritium energy, for two assumptions concerning the behavior of FA, the axial current form factor, in the timelike region; analytic continuation from the spacelike region and mirror behavior, FA(q2, timelike)=FA(q2, spacelike). The values of dΓdET under these two assumptions are found to vary substantially in the timelike region as a function of the mass MA in the dipole fit to FA. Values of dΓdET are given for MA2=2mπ2, 4.95mπ2, and 8mπ2. NUCLEAR REACTIONS Muon capture 6Li(μ-, νμ)3H3H, Γ, dΓdET calculated for two assumptions concerning the axial current form factor behavior in timelike region.

Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.

PubMed

Irani, Seema; Naowarojna, Nathchar; Tang, Yang; Kathuria, Karan R; Wang, Shu; Dhembi, Anxhela; Lee, Norman; Yan, Wupeng; Lyu, Huijue; Costello, Catherine E; Liu, Pinghua; Zhang, Yan Jessie

2018-05-17

Sulfur incorporation in the biosynthesis of ergothioneine, a histidine thiol derivative, differs from other well-characterized transsulfurations. A combination of a mononuclear non-heme iron enzyme-catalyzed oxidative C-S bond formation and a subsequent pyridoxal 5'-phosphate (PLP)-mediated C-S lyase reaction leads to the net transfer of a sulfur atom from a cysteine to a histidine. In this study, we structurally and mechanistically characterized a PLP-dependent C-S lyase Egt2, which mediates the sulfoxide C-S bond cleavage in ergothioneine biosynthesis. A cation-π interaction between substrate and enzyme accounts for Egt2's preference of sulfoxide over thioether as a substrate. Using mutagenesis and structural biology, we captured three distinct states of the Egt2 C-S lyase reaction cycle, including a labile sulfenic intermediate captured in Egt2 crystals. Chemical trapping and high-resolution mass spectrometry were used to confirm the involvement of the sulfenic acid intermediate in Egt2 catalysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

A Phosphoenzyme Mimic, Overlapping Catalytic Sites and Reaction Coordinate Motion for Human NAMPT

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

Burgos, E.; Ho, M; Almo, S

2009-01-01

Nicotinamide phosphoribosyltransferase (NAMPT) is highly evolved to capture nicotinamide (NAM) and replenish the nicotinamide adenine dinucleotide (NAD+) pool during ADP-ribosylation and transferase reactions. ATP-phosphorylation of an active-site histidine causes catalytic activation, increasing NAM affinity by 160,000. Crystal structures of NAMPT with catalytic site ligands identify the phosphorylation site, establish its role in catalysis, demonstrate unique overlapping ATP and phosphoribosyltransferase sites, and establish reaction coordinate motion. NAMPT structures with beryllium fluoride indicate a covalent H247-BeF3- as the phosphohistidine mimic. Activation of NAMPT by H247-phosphorylation causes stabilization of the enzyme-phosphoribosylpyrophosphate complex, permitting efficient capture of NAM. Reactant and product structures establish reactionmore » coordinate motion for NAMPT to be migration of the ribosyl anomeric carbon from the pyrophosphate leaving group to the nicotinamide-N1 while the 5-phosphoryl group, the pyrophosphate moiety, and the nicotinamide ring remain fixed in the catalytic site.« less

The ^132Sn + ^96Zr reaction: a study of fusion enhancement/hindrance

NASA Astrophysics Data System (ADS)

Loveland, Walter; Vinodkumar, A. M.; Neeway, James; Sprunger, Peter; Prisbrey, Landon; Peterson, Donald; Liang, J. F.; Shapira, Dan; Gross, C. J.; Varner, R. L.; Kolata, J. J.; Roberts, A.; Caraley, A. L.

2008-10-01

Capture-fission cross sections were measured for the collision of the massive nucleus ^132Sn with ^96Zr at center of mass energies ranging from 192.8 to 249.6 MeV in an attempt to study fusion enhancement and hindrance in this reaction involving very neutron-rich nuclei. Coincident fission fragments were detected using silicon detectors. Using angle and energy conditions, deep inelastic scattering events were separated from fission events. Coupled channels calculations can describe the data if the surface diffuseness parameter, a, is allowed to be 1.10 fm, instead of the customary 0.6 fm. The measured capture-fission cross sections agree moderately well with model calculations using the dinuclear system (DNS) model. If we use this model to predict fusion barrier heights for these reactions, we find the predicted fusion hindrance, as represented by the extra push energy, is greater for the more neutron-rich system, lessening the advantage of the lower interaction barriers with neutron rich projectiles.

132Sn+96Zr reaction: A study of fusion enhancement/hindrance

NASA Astrophysics Data System (ADS)

Vinodkumar, A. M.; Loveland, W.; Neeway, J. J.; Prisbrey, L.; Sprunger, P. H.; Peterson, D.; Liang, J. F.; Shapira, D.; Gross, C. J.; Varner, R. L.; Kolata, J. J.; Roberts, A.; Caraley, A. L.

2008-11-01

Capture-fission cross sections were measured for the collision of the massive nucleus Sn132 with Zr96 at center-of-mass energies ranging from 192.8 to 249.6 MeV in an attempt to study fusion enhancement and hindrance in this reaction involving very neutron-rich nuclei. Coincident fission fragments were detected using silicon detectors. Using angle and energy conditions, deep inelastic scattering events were separated from fission events. Coupled-channels calculations can describe the data if the surface diffuseness parameter, a, is allowed to be 1.10 fm instead of the customary 0.6 fm. The measured capture-fission cross sections agree moderately well with model calculations using the dinuclear system model. If we use this model to predict fusion barrier heights for these reactions, we find the predicted fusion hindrance, as represented by the extra push energy, is greater for the more neutron-rich system, lessening the advantage of the lower interaction barriers with neutron-rich projectiles.

Boron Neutron Capture Therapy (BNCT) Dose Calculation using Geometrical Factors Spherical Interface for Glioblastoma Multiforme

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

Zasneda, Sabriani; Widita, Rena

2010-06-22

Boron Neutron Capture Therapy (BNCT) is a cancer therapy by utilizing thermal neutron to produce alpha particles and lithium nuclei. The superiority of BNCT is that the radiation effects could be limited only for the tumor cells. BNCT radiation dose depends on the distribution of boron in the tumor. Absorbed dose to the cells from the reaction 10B (n, {alpha}) 7Li was calculated near interface medium containing boron and boron-free region. The method considers the contribution of the alpha particle and recoiled lithium particle to the absorbed dose and the variation of Linear Energy Transfer (LET) charged particles energy. Geometricalmore » factor data of boron distribution for the spherical surface is used to calculate the energy absorbed in the tumor cells, brain and scalp for case Glioblastoma Multiforme. The result shows that the optimal dose in tumor is obtained for boron concentrations of 22.1 mg {sup 10}B/g blood.« less

Near-barrier Fusion Evaporation and Fission of 28Si+174Yb and 32S+170Er

NASA Astrophysics Data System (ADS)

Wang, Dongxi; Lin, Chengjian; Jia, Huiming; Ma, Nanru; Sun, Lijie; Xu, Xinxing; Yang, Lei; Yang, Feng; Zhang, Huanqiao; Bao, Pengfei

2017-11-01

Fusion evaporation residues and fission fragments have been measured, respectively, at energies around the Coulomb barrier for the 28Si+174Yb and 32S+170Er systems forming the same compound nucleus 202Po. The excitation function of fusion evaporation, fission as well as capture reactions were deduced. Coupled-channels analyses reveal that couplings to the deformations of targets and the two-phonon states of projectiles contribute much to the enhancement of capture cross sections at sub-barrier energies. The mass and total kinetic energy of fission fragments were deduced by the time-difference method assuming full momentum transfer in a two-body kinematics. The mass-energy and mass-angle distributions were obtained and no obvious quasi-fission components were observed in this bombarding energy range. Further, mass distributions of fission fragments were fitted to extract their widths. Results show that the mass widths decrease monotonically with decreasing energy, but might start to increase when Ec.m./VB < 0.95 for both systems.

Neutron capture studies with a short flight path

NASA Astrophysics Data System (ADS)

Walter, Stephan; Heil, Michael; Käppeler, Franz; Plag, Ralf; Reifarth, René

The time of flight (TOF) method is an important tool for the experimental determination of neu- tron capture cross sections which are needed for s-process nucleosynthesis in general, and for analyses of branchings in the s-process reaction path in particular. So far, sample masses of at least several milligrams are required to compensate limitations in the currently available neutron fluxes. This constraint leads to unacceptable backgrounds for most of the relevant unstable branch point nuclei, due to the decay activity of the sample. A possible solution has been proposed by the NCAP project at the University of Frankfurt. A first step in this direction is reported here, which aims at enhancing the sensitivity of the Karlsruhe TOF array by reducing the neutron flight path to only a few centimeters. Though sample masses in the microgram regime can be used by this approach, the increase in neutron flux has to be paid by a higher background from the prompt flash related to neutron production. Test measurements with Au samples are reported.

Highly multiplexed targeted DNA sequencing from single nuclei.

PubMed

Leung, Marco L; Wang, Yong; Kim, Charissa; Gao, Ruli; Jiang, Jerry; Sei, Emi; Navin, Nicholas E

2016-02-01

Single-cell DNA sequencing methods are challenged by poor physical coverage, high technical error rates and low throughput. To address these issues, we developed a single-cell DNA sequencing protocol that combines flow-sorting of single nuclei, time-limited multiple-displacement amplification (MDA), low-input library preparation, DNA barcoding, targeted capture and next-generation sequencing (NGS). This approach represents a major improvement over our previous single nucleus sequencing (SNS) Nature Protocols paper in terms of generating higher-coverage data (>90%), thereby enabling the detection of genome-wide variants in single mammalian cells at base-pair resolution. Furthermore, by pooling 48-96 single-cell libraries together for targeted capture, this approach can be used to sequence many single-cell libraries in parallel in a single reaction. This protocol greatly reduces the cost of single-cell DNA sequencing, and it can be completed in 5-6 d by advanced users. This single-cell DNA sequencing protocol has broad applications for studying rare cells and complex populations in diverse fields of biological research and medicine.

Switch-on fluorescence scheme for antibiotics based on a magnetic composite probe with aptamer and hemin/G-quadruplex coimmobilized nano-Pt-luminol as signal tracer.

PubMed

Miao, Yang-Bao; Gan, Ning; Ren, Hong-Xia; Li, Tianhua; Cao, Yuting; Hu, Futao; Chen, Yinji

2016-01-15

A selective and facile fluorescence "switch-on" scheme is developed to detect antibiotics residues in food, using chloramphenicol (CAP) as model, based on a novel magnetic aptamer probe (aptamer-Pt-luminol nanocomposite labeled with hemin/G-quadruplex). Firstly, the composite probe is prepared through the immuno-reactions between the capture beads (anti-dsDNA antibody labeled on magnetic Dynabeads) and the nanotracer (nano-Pt-luminol labeled with double-strand aptamer, as ds-Apt, and hemin/G-quadruplex). When the composite probe is mixed with CAP, the aptamer preferentially reacted with CAP to decompose the double-strand aptamer to ssDNA, which cannot be recognized by the anti-dsDNA antibody on the capture probes. Thus, after magnetic separation, the nanotracer can be released into the supernatant. Because the hemin/G-quadruplex and PtNPs in nanotracer can catalyze luminol-H2O2 system to emit fluorescence. Thus a dual-amplified "switch-on" signal appeared, of which intensity is proportional to the concentration of CAP between 0.001 and 100ng mL(-1) with detection limit of 0.0005ng mL(-1) (S/N=3). Besides, our method has good selectivity and was employed for CAP detection in real milk samples. The results agree well with those from conventional gas chromatograph-mass spectrometer (GC-MS). The switch-on signal is produced by one-step substitution reaction between aptamer in nanotracer and target. When the analyte is changed, the probe can be refabricated only by changing the corresponding aptamer. Thus, all features above prove our strategy to be a facile, feasible and selective method in antibiotics screening for food safety. Copyright © 2015 Elsevier B.V. All rights reserved.

Concurrent validity and reliability of using ground reaction force and center of pressure parameters in the determination of leg movement initiation during single leg lift.

PubMed

Aldabe, Daniela; de Castro, Marcelo Peduzzi; Milosavljevic, Stephan; Bussey, Melanie Dawn

2016-09-01

Postural adjustment evaluations during single leg lift requires the initiation of heel lift (T1) identification. T1 measured by means of motion analyses system is the most reliable approach. However, this method involves considerable workspace, expensive cameras, and time processing data and setting up laboratory. The use of ground reaction forces (GRF) and centre of pressure (COP) data is an alternative method as its data processing and setting up is less time consuming. Further, kinetic data is normally collected using frequency samples higher than 1000Hz whereas kinematic data are commonly captured using 50-200Hz. This study describes the concurrent-validity and reliability of GRF and COP measurements in determining T1, using a motion analysis system as reference standard. Kinematic and kinetic data during single leg lift were collected from ten participants. GRF and COP data were collected using one and two force plates. Displacement of a single heel marker was captured by means of ten Vicon(©) cameras. Kinetic and kinematic data were collected using a sample frequency of 1000Hz. Data were analysed in two stages: identification of key events in the kinetic data, and assessing concurrent validity of T1 based on the chosen key events with T1 provided by the kinematic data. The key event presenting the least systematic bias, along with a narrow 95% CI and limits of agreement against the reference standard T1, was the Baseline COPy event. Baseline COPy event was obtained using one force plate and presented excellent between-tester reliability. Copyright © 2016 Elsevier B.V. All rights reserved.

Rates of nickel(II) capture from complexes with NTA, EDDA, and related tetradentate chelating agents by the hexadentate chelating agents EDTA and CDTA: Evidence of a "semijunctive" ligand exchange pathway

NASA Astrophysics Data System (ADS)

Boland, Nathan E.; Stone, Alan T.

2017-09-01

Many siderophores and metallophores produced by soil organisms, as well as anthropogenic chelating agent soil amendments, rely upon amine and carboxylate Lewis base groups for metal ion binding. UV-visible spectra of metal ion-chelating agent complexes are often similar and, as a consequence, whole-sample absorbance measurements are an unreliable means of monitoring the progress of exchange reactions. In the present work, we employ capillary electrophoresis to physically separate Ni(II)-tetradentate chelating agent complexes (NiL) from Ni(II)-hexadentate chelating agent complexes (NiY) prior to UV detection, such that progress of the reaction NiL + Y → NiY + L can be conveniently monitored. Rates of ligand exchange for Ni(II) are lower than for other +II transition metal ions. Ni(II) speciation in environmental media is often under kinetic rather than equilibrium control. Nitrilotriacetic acid (NTA), with three carboxylate groups all tethered to a central amine Lewis base group, ethylenediamine-N,N‧-diacetic acid (EDDA), with carboxylate-amine-amine-carboxylate groups arranged linearly, plus four structurally related compounds, are used as tetradentate chelating agents. Ethylenediaminetetraacetic acid (EDTA) and the structurally more rigid analog trans-cyclohexaneethylenediaminetetraacetic acid (CDTA) are used as hexadentate chelating agents. Effects of pH and reactant concentration are explored. Ni(II) capture by EDTA was consistently more than an order of magnitude faster than capture by CDTA, and too fast to quantify using our capillary electrophoresis-based technique. Using NiNTA as a reactant, Ni(II) capture by CDTA is independent of CDTA concentration and greatly enhanced by a proton-catalyzed pathway at low pH. Using NiEDDA as reactant, Ni(II) capture by CDTA is first order with respect to CDTA concentration, and the contribution from the proton-catalyzed pathway diminished by CDTA protonation. While the convention is to assign either a disjunctive pathway or adjunctive pathway to multidentate ligand exchange reactions, our results indicate that a third "semijunctive" pathway is necessary to account for slow reactions progressing through Lsbnd Nisbnd Y ternary complexes. Ligand exchange pathways with NTA-type chelating agents are assigned a disjunctive pathway, while pathways with EDDA-type chelating agents are assigned a semijunctive pathway. Based upon operative mechanism(s), magnitudes of exchange rates and effects of ambient geochemical conditions can be predicted.

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

Mughabghab, S.

The s- and p-wave neutron strength functions and average radiative widths of fission product nuclides are reviewed. The direct capture mechanism of Land and Lynn is quantitatively varified for the two reactions /sup 42/Ca(n,..gamma..) /sup 43/Ca and /sup 136/Xe(n,..gamma..) /sup 137/Xe. Thermal capture cross sections of /sup 132/Te and /sup 126/Sn are estimated with the aid of the Lane-Lynn theory. 7 figures, 1 table.

Radiative capture of proton by ^{12}C at low energy

NASA Astrophysics Data System (ADS)

Irgaziev, Bakhadir Fayzullaevich; Nabi, Jameel-Un; Kabir, Abdul

2018-07-01

Within the framework of potential cluster model, astrophysical S-factor of radiative capture reaction ^{12}C (p,γ)^{13}N has been calculated in the two body cluster model for the energy range 0-1 MeV. The nuclear interaction in the initial and final states is described by the Woods-Saxon potential. The calculated astrophysical S-factor and rates are compared with known experimental results.

Synthetic, switchable enzymes

PubMed Central

Norris, Vic; Krylov, Sergey N.; Agarwal, Pratul K.; White, Glenn J.

2017-01-01

The construction of switchable, radiation-controlled, aptameric enzymes alias swenzymes is, in principle, feasible. We propose a strategy to make such catalysts from two (or more) aptamers each selected to bind specifically to one of the substrates in, for example, a two-substrate reaction. Construction of a combinatorial library of candidate swenzymes entails selecting a set of a million aptamers that bind one substrate and a second set of a million aptamers that bind the second substrate; the aptamers in these sets are then linked pairwise by a linker so bringing together the substrates. In the presence of the substrates, some linked aptamer pairs catalyze the reaction when exposed to external energy in the form of a specific frequency of low intensity, non-ionizing electromagnetic or acoustic radiation. Such swenzymes are detected via a separate, product-capturing, aptamer that changes conformation on capturing the product; this altered conformation allows it (1) to bind to every potential swenzyme in its vicinity (thereby giving a higher probability of capture to the swenzymes that generate the product) and (2) to bind to a sequence on a magnetic bead (thereby permitting purification of the swenzyme plus product-capturing aptamer by precipitation). Attempts to implement the swenzyme strategy may help elucidate fundamental problems in enzyme catalysis. PMID:28448969

Synthetic, Switchable Enzymes.

PubMed

Norris, Vic; Krylov, Sergey N; Agarwal, Pratul K; White, Glenn J

2017-01-01

The construction of switchable, radiation-controlled, aptameric enzymes - "swenzymes" - is, in principle, feasible. We propose a strategy to make such catalysts from 2 (or more) aptamers each selected to bind specifically to one of the substrates in, for example, a 2-substrate reaction. Construction of a combinatorial library of candidate swenzymes entails selecting a set of a million aptamers that bind one substrate and a second set of a million aptamers that bind the second substrate; the aptamers in these sets are then linked pairwise by a linker, thus bringing together the substrates. In the presence of the substrates, some linked aptamer pairs catalyze the reaction when exposed to external energy in the form of a specific frequency of low-intensity, nonionizing electromagnetic or acoustic radiation. Such swenzymes are detected via a separate product-capturing aptamer that changes conformation on capturing the product; this altered conformation allows it (1) to bind to every potential swenzyme in its vicinity (thereby giving a higher probability of capture to the swenzymes that generate the product) and (2) to bind to a sequence on a magnetic bead (thereby permitting purification of the swenzyme plus product-capturing aptamer by precipitation). Attempts to implement the swenzyme strategy may help elucidate fundamental problems in enzyme catalysis. © 2017 S. Karger AG, Basel.

Radiative neutron capture cross sections on 176Lu at DANCE

NASA Astrophysics Data System (ADS)

Roig, O.; Jandel, M.; Méot, V.; Bond, E. M.; Bredeweg, T. A.; Couture, A. J.; Haight, R. C.; Keksis, A. L.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.

2016-03-01

The cross section of the neutron capture reaction 176Lu(n ,γ ) has been measured for a wide incident neutron energy range with the Detector for Advanced Neutron Capture Experiments at the Los Alamos Neutron Science Center. The thermal neutron capture cross section was determined to be (1912 ±132 ) b for one of the Lu natural isotopes, 176Lu. The resonance part was measured and compared to the Mughabghab's atlas using the R -matrix code, sammy. At higher neutron energies the measured cross sections are compared to ENDF/B-VII.1, JEFF-3.2, and BRC evaluated nuclear data. The Maxwellian averaged cross sections in a stellar plasma for thermal energies between 5 keV and 100 keV were extracted using these data.

Tandem Cu-catalyzed ketenimine formation and intramolecular nucleophile capture: Synthesis of 1,2-dihydro-2-iminoquinolines from 1-(o-acetamidophenyl)propargyl alcohols

PubMed Central

Kant, Ruchir

2014-01-01

Summary The copper-catalyzed ketenimine formation reaction of 1-(o-acetamidophenyl)propargyl alcohols with various sulfonyl azides is found to undergo a concomitant intramolecular nucleophile attack to generate 1,2-dihydro-2-iminoquinolines after aromatization (via elimination of acetyl and hydroxy groups) and tautomerization. The reaction produces 4-substituted and 3,4-unsubstituted title compounds in moderate to good yields under mild reaction conditions. PMID:24991276

Measurement of the neutron-capture cross section of 76Ge and 74Ge below 15 MeV and its relevance to 0 νββ decay searches of 76Ge

NASA Astrophysics Data System (ADS)

Bhike, Megha; Fallin, B.; Krishichayan; Tornow, W.

2015-02-01

The neutron radiative-capture cross section of 76Ge was measured between 0.4 and 14.8 MeV using the activation technique. Germanium samples with the isotopic abundance of ∼ 86%76Ge and ∼ 14%74Ge used in the 0 νββ searches by the GERDA and Majorana Collaborations were irradiated with monoenergetic neutrons produced at eleven energies via the 3H (p , n)3He, 2H (d , n)3He and 3H (d , n)4He reactions. Previously, data existed only at thermal energies and at 14 MeV. As a by-product, capture cross-section data were also obtained for 74Ge at neutron energies below 8 MeV. Indium and gold foils were irradiated simultaneously for neutron fluence determination. High-resolution γ-ray spectroscopy was used to determine the γ-ray activity of the daughter nuclei of interest. For the 76Ge total capture cross section the present data are in good agreement with the TENDL-2013 model calculations and the ENDF/B-VII.1 evaluations, while for the 74Ge (n , γ)75Ge reaction, the present data are about a factor of two larger than predicted. It was found that the 74Ge (n , γ)75Ge yield in the High-Purity Germanium (HPGe) detectors used by the GERDA and Majorana Collaborations is only about a factor of two smaller than the 76Ge (n , γ)77Ge yield due to the larger cross section of the former reaction.

Measurement of the neutron-capture cross section of ⁷⁶Ge and ⁷⁴Ge below 15 MeV and its relevance to 0νββ decay searches of ⁷⁶Ge

DOE PAGES

Bhike, Megha; Fallin, B.; Krishichayan, none; ...

2015-02-01

The neutron radiative-capture cross section of ⁷⁶Ge was measured between 0.4 and 14.8 MeV using the activation technique. Germanium samples with the isotopic abundance of ~86% ⁷⁶Ge and ~14% ⁷⁴Ge used in the 0νββ searches by the GERDA and Majorana Collaborations were irradiated with monoenergetic neutrons produced at eleven energies via the ³H(p,n)³He, ²H(d,n)³He and ³H(d,n)⁴He reactions. Previously, data existed only at thermal energies and at 14 MeV. As a by-product, capture cross-section data were also obtained for ⁷⁴Ge at neutron energies below 8 MeV. Indium and gold foils were irradiated simultaneously for neutron fluence determination. High-resolution γ-ray spectroscopy wasmore » used to determine the γ-ray activity of the daughter nuclei of interest. For the ⁷⁶Ge total capture cross section the present data are in good agreement with the TENDL-2013 model calculations and the ENDF/B-VII.1 evaluations, while for the ⁷⁴Ge(n,γ)⁷⁵Ge reaction, the present data are about a factor of two larger than predicted. It was found that the ⁷⁴Ge(n,γ)⁷⁵Ge yield in the High-Purity Germanium (HPGe) detectors used by the GERDA and Majorana Collaborations is only about a factor of two smaller than the ⁷⁶Ge(n,γ)⁷⁷Ge yield due to the larger cross section of the former reaction.« less

Measurement of the neutron-capture cross section of ⁷⁶Ge and ⁷⁴Ge below 15 MeV and its relevance to 0νββ decay searches of ⁷⁶Ge

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

Bhike, Megha; Fallin, B.; Krishichayan, none

The neutron radiative-capture cross section of ⁷⁶Ge was measured between 0.4 and 14.8 MeV using the activation technique. Germanium samples with the isotopic abundance of ~86% ⁷⁶Ge and ~14% ⁷⁴Ge used in the 0νββ searches by the GERDA and Majorana Collaborations were irradiated with monoenergetic neutrons produced at eleven energies via the ³H(p,n)³He, ²H(d,n)³He and ³H(d,n)⁴He reactions. Previously, data existed only at thermal energies and at 14 MeV. As a by-product, capture cross-section data were also obtained for ⁷⁴Ge at neutron energies below 8 MeV. Indium and gold foils were irradiated simultaneously for neutron fluence determination. High-resolution γ-ray spectroscopy wasmore » used to determine the γ-ray activity of the daughter nuclei of interest. For the ⁷⁶Ge total capture cross section the present data are in good agreement with the TENDL-2013 model calculations and the ENDF/B-VII.1 evaluations, while for the ⁷⁴Ge(n,γ)⁷⁵Ge reaction, the present data are about a factor of two larger than predicted. It was found that the ⁷⁴Ge(n,γ)⁷⁵Ge yield in the High-Purity Germanium (HPGe) detectors used by the GERDA and Majorana Collaborations is only about a factor of two smaller than the ⁷⁶Ge(n,γ)⁷⁷Ge yield due to the larger cross section of the former reaction.« less

Generalized Hydrodynamic Treatment of the Interplay between Restricted Transport and Catalytic Reactions in Nanoporous Materials

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

Ackerman, David M.; Wang, Jing; Evans, James W.

2012-05-30

Behavior of catalytic reactions in narrow pores is controlled by a delicate interplay between fluctuations in adsorption-desorption at pore openings, restricted diffusion, and reaction. This behavior is captured by a generalized hydrodynamic formulation of appropriate reaction-diffusion equations (RDE). These RDE incorporate an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The RDE elucidate the nonexponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth.

Generalized hydrodynamic treatment of the interplay between restricted transport and catalytic reactions in nanoporous materials.

PubMed

Ackerman, David M; Wang, Jing; Evans, James W

2012-06-01

Behavior of catalytic reactions in narrow pores is controlled by a delicate interplay between fluctuations in adsorption-desorption at pore openings, restricted diffusion, and reaction. This behavior is captured by a generalized hydrodynamic formulation of appropriate reaction-diffusion equations (RDE). These RDE incorporate an unconventional description of chemical diffusion in mixed-component quasi-single-file systems based on a refined picture of tracer diffusion for finite-length pores. The RDE elucidate the nonexponential decay of the steady-state reactant concentration into the pore and the non-mean-field scaling of the reactant penetration depth.

Physiological reactions to capture in hibernating brown bears.

PubMed

Evans, Alina L; Singh, Navinder J; Fuchs, Boris; Blanc, Stéphane; Friebe, Andrea; Laske, Timothy G; Frobert, Ole; Swenson, Jon E; Arnemo, Jon M

2016-01-01

Human disturbance can affect animal life history and even population dynamics. However, the consequences of these disturbances are difficult to measure. This is especially true for hibernating animals, which are highly vulnerable to disturbance, because hibernation is a process of major physiological changes, involving conservation of energy during a resource-depleted time of year. During the winters of 2011-15, we captured 15 subadult brown bears ( Ursus arctos ) and recorded their body temperatures ( n  = 11) and heart rates ( n = 10) before, during and after capture using biologgers. We estimated the time for body temperature and heart rate to normalize after the capture event. We then evaluated the effect of the captures on the pattern and depth of hibernation and the day of den emergence by comparing the body temperature of captured bears with that of undisturbed subadult bears ( n  = 11). Both body temperature and heart rate increased during capture and returned to hibernation levels after 15-20 days. We showed that bears required 2-3 weeks to return to hibernation levels after winter captures, suggesting high metabolic costs during this period. There were also indications that the winter captures resulted in delayed den emergence.

Amine-selective bioconjugation using arene diazonium salts.

PubMed

Diethelm, Stefan; Schafroth, Michael A; Carreira, Erick M

2014-08-01

A novel bioconjugation strategy is presented that relies on the coupling of diazonium terephthalates with amines in proteins. The diazonium captures the amine while the vicinal ester locks it through cyclization, ensuring no reversibility. The reaction is highly efficient and proceeds under mild conditions and short reaction times. Densely functionalized, complex natural products were directly coupled to proteins using low concentrations of coupling partners.

The {sup 14}N(p,{gamma}){sup 15}O reaction studied with a composite germanium detector

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

Marta, M.; Bemmerer, D.; Formicola, A.

2011-04-15

The rate of the carbon-nitrogen-oxygen (CNO) cycle of hydrogen burning is controlled by the {sup 14}N(p,{gamma}){sup 15}O reaction. The reaction proceeds by capture to the ground states and several excited states in {sup 15}O. In order to obtain a reliable extrapolation of the excitation curve to astrophysical energy, fits in the R-matrix framework are needed. In an energy range that sensitively tests such fits, new cross-section data are reported here for the four major transitions in the {sup 14}N(p,{gamma}){sup 15}O reaction. The experiment has been performed at the Laboratory for Underground Nuclear Astrophysics (LUNA) 400-kV accelerator placed deep underground inmore » the Gran Sasso facility in Italy. Using a composite germanium detector, summing corrections have been considerably reduced with respect to previous studies. The cross sections for capture to the ground state and to the 5181, 6172, and 6792 keV excited states in {sup 15}O have been determined at 359, 380, and 399 keV beam energy. In addition, the branching ratios for the decay of the 278-keV resonance have been remeasured.« less

Theoretical study of the H2 reaction with a Pt4 (111) cluster

NASA Astrophysics Data System (ADS)

Cruz, A.; Bertin, V.; Poulain, E.; Benitez, J. I.; Castillo, S.

2004-04-01

The Cs symmetry reaction of the H2 molecule on a Pt4 (111) clusters, has been studied using ab initio multiconfiguration self-consistent field plus extensive multireference configuration interaction variational and perturbative calculations. The H2 interaction by the vertex and by the base of a tetrahedral Pt4 cluster were studied in ground and excited triplet and singlet states (closed and open shells), where the reaction curves are obtained through many avoided crossings. The Pt4 cluster captures and activates the hydrogen molecule; it shows a similar behavior compared with other Ptn (n=1,2,3) systems. The Pt4 cluster in their lowest five open and closed shell electronic states: 3B2, 1B2, 1A1 3A1, 1A1, respectively, may capture and dissociate the H2 molecule without activation barriers for the hydrogen molecule vertex approach. For the threefolded site reaction, i.e., by the base, the situation is different, the hydrogen adsorption presents some barriers. The potential energy minima occur outside and inside the cluster, with strong activation of the H-H bond. In all cases studied, the Pt4 cluster does not absorb the hydrogen molecule.

Detection of single-nucleotide polymorphisms using gold nanoparticles and single-strand-specific nucleases.

PubMed

Chen, Yen-Ting; Hsu, Chiao-Ling; Hou, Shao-Yi

2008-04-15

The current study reports an assay approach that can detect single-nucleotide polymorphisms (SNPs) and identify the position of the point mutation through a single-strand-specific nuclease reaction and a gold nanoparticle assembly. The assay can be implemented via three steps: a single-strand-specific nuclease reaction that allows the enzyme to truncate the mutant DNA; a purification step that uses capture probe-gold nanoparticles and centrifugation; and a hybridization reaction that induces detector probe-gold nanoparticles, capture probe-gold nanoparticles, and the target DNA to form large DNA-linked three-dimensional aggregates of gold nanoparticles. At high temperature (63 degrees C in the current case), the purple color of the perfect match solution would not change to red, whereas a mismatched solution becomes red as the assembled gold nanoparticles separate. Using melting analysis, the position of the point mutation could be identified. This assay provides a convenient colorimetric detection that enables point mutation identification without the need for expensive mass spectrometry. To our knowledge, this is the first report concerning SNP detection based on a single-strand-specific nuclease reaction and a gold nanoparticle assembly.

Reaction rate of the 13C(α,n)16O neutron source using the ANC of the -3 keV resonance measured with the THM

NASA Astrophysics Data System (ADS)

La Cognata, M.; Spitaleri, C.; Trippella, O.; Kiss, G. G.; Rogachev, G. V.; Mukhamedzhanov, A. M.; Avila, M.; Guardo, G. L.; Koshchiy, E.; Kuchera, A.; Lamia, L.; Puglia, S. M. R.; Romano, S.; Santiago, D.; Spartà, R.

2016-01-01

The s-process is responsible of the synthesis of most of the nuclei in the mass range 90 ≤ A ≤ 208. It consists in a series of neutron capture reactions on seed nuclei followed by β-decays, since the neutron accretion rate is slower than the β-decay rate. Such small neutron flux is supplied by the 13C(α,n)16O reaction. It is active inside the helium-burning shell of asymptotic giant branch stars, at temperatures < 108 K, corresponding to an energy interval of 140-230 keV. In this region, the astrophysical S (E)-factor is dominated by the -3 keV sub-threshold resonance due to the 6.356 MeV level in 17O. In this work, we have applied the Trojan Horse Method (THM) to the 13C(6Li,n16O)d quasi-free reaction to extract the 6.356 MeV level resonance parameters, in particular the asymptotic normalization coefficient . A preliminary analysis of a partial data set has lead to , slightly larger than the values in the literature. However, the deduced 13C(α, n)16O reaction rate is in agreement with most results in the literature at ˜ 108 K, with enhanced accuracy thanks to our innovative approach merging together ANC and THM.

R-matrix analysis of reactions in the 9B compound system applied to the 7Li problem in BBN

NASA Astrophysics Data System (ADS)

Paris, M.; Hale, G.; Hayes-Sterbenz, A.; Jungman, G.

2016-01-01

Recent activity in solving the ‘lithium problem’ in big bang nucleosynthesis has focused on the role that putative resonances may play in resonance-enhanced destruction of 7Li. Particular attention has been paid to the reactions involving the 9B compound nuclear system, d+7Be → 9B. These reactions are analyzed via the multichannel, two-body unitary R-matrix method using the code EDA developed by Hale and collaborators. We employ much of the known elastic and reaction data, in a four-channel treatment. The data include elastic 3He +6Li differential cross sections from 0.7 to 2.0 MeV, integrated reaction cross sections for energies from 0.7 to 5.0 MeV for 6Li(3He,p)8Be* and from 0.4 to 5.0 MeV for the 6Li(3He,d)7Be reaction. Capture data have been added to an earlier analysis with integrated cross section measurements from 0.7 to 0.825 MeV for 6Li(3He,γ)9B. The resulting resonance parameters are compared with tabulated values, and previously unidentified resonances are noted. Our results show that there are no near d+7Be threshold resonances with widths that are 10’s of keV and reduce the likelihood that a resonance-enhanced mass-7 destruction mechanism, as suggested in recently published work, can explain the 7Li problem.

Probing astrophysically important states in the 26Mg nucleus to study neutron sources for the s process

NASA Astrophysics Data System (ADS)

Talwar, R.; Adachi, T.; Berg, G. P. A.; Bin, L.; Bisterzo, S.; Couder, M.; deBoer, R. J.; Fang, X.; Fujita, H.; Fujita, Y.; Görres, J.; Hatanaka, K.; Itoh, T.; Kadoya, T.; Long, A.; Miki, K.; Patel, D.; Pignatari, M.; Shimbara, Y.; Tamii, A.; Wiescher, M.; Yamamoto, T.; Yosoi, M.

2016-05-01

Background: The 22Ne(α ,n )25Mg reaction is the dominant neutron source for the slow neutron capture process (s process) in massive stars, and contributes, together with 13C (α ,n )16O, to the production of neutrons for the s process in asymptotic giant branch (AGB) stars. However, the reaction is endothermic and competes directly with 22Ne(α ,γ )26Mg radiative capture. The uncertainties for both reactions are large owing to the uncertainty in the level structure of 26Mg near the α and neutron separation energies. These uncertainties affect the s -process nucleosynthesis calculations in theoretical stellar models. Purpose: Indirect studies in the past have been successful in determining the energies and the γ -ray and neutron widths of the 26Mg states in the energy region of interest. But, the high Coulomb barrier hinders a direct measurement of the resonance strengths, which are determined by the α widths for these states. The goal of the present experiments is to identify the critical resonance states and to precisely measure the α widths by α -transfer techniques. Methods: The α -inelastic scattering and α -transfer measurements were performed on a solid 26Mg target and a 22Ne gas target, respectively, using the Grand Raiden Spectrometer at the Research Center for Nuclear Physics in Osaka, Japan. The (α ,α') measurements were performed at 0 .45∘ , 4 .1∘ , 8 .6∘ , and 11 .1∘ and the (6Li,d ) measurements at 0∘ and 10∘. The scattered α particles and deuterons were detected by the focal plane detection system consisting of multiwire drift chambers and plastic scintillators. The focal plane energy calibration allowed the study of 26Mg levels from Ex = 7.69-12.06 MeV in the (α ,α') measurement and Ex = 7.36-11.32 MeV in the (6Li,d ) measurement. Results: Six levels (Ex = 10717, 10822, 10951, 11085, 11167, and 11317 keV) were observed above the α threshold in the region of interest (10.61-11.32 MeV). The α widths were calculated for these states from the experimental data. The results were used to determine the α -capture induced reaction rates. Conclusion: The energy range above the α threshold in 26Mg was investigated using a high resolution spectrometer. A number of states were observed for the first time in α -scattering and α -transfer reactions. The excitation energies and spin-parities were determined. Good agreement is observed for previously known levels in 26Mg. From the observed resonance levels the Ex = 10717 keV state has a negligible contribution to the α -induced reaction rates. The rates are dominated in both reaction channels by the resonance contributions of the states at Ex = 10951, 11167, and 11317 keV. The Ex = 11167 keV state has the most appreciable impact on the (α ,γ ) rate and therefore plays an important role in the prediction of the neutron production in s -process environments.

Quantifying capture stress in free ranging European roe deer (Capreolus capreolus).

PubMed

Huber, Nikolaus; Vetter, Sebastian G; Evans, Alina L; Kjellander, Petter; Küker, Susanne; Bergvall, Ulrika A; Arnemo, Jon M

2017-05-10

To understand and reduce the concomitant effects of trapping and handling procedures in wildlife species, it is essential to measure their physiological impact. Here, we examined individual variation in stress levels in non-anesthetized European roe deer (Capreolus capreolus), which were captured in box traps and physically restrained for tagging, biometrics and bio-sampling. In winter 2013, we collected venous blood samples from 28 individuals during 28 capture events and evaluated standard measurements for stress (heart rate, body temperature, neutrophil to lymphocyte ratio, lactate and total cortisol). Additionally, we assessed stress using the immunological tool, Leukocyte Coping Capacity (LCC), a real-time proxy for stress measuring oxygen radical production by leukocytes. Finally, the behavioral response to handling was recorded using a scoring system. LCC and therefore stress levels were negatively influenced by the time animals spent in the box trap with human presence at the capture site prior to handling. In contrast, none of the classical stress measures, including total cortisol, nor the behavioral assessment, were correlated with the stressor tested (time of human presence prior to handling) and thus did not provide a clear depiction regarding the extent of the animals short-term stress response. Overall our study verifies the LCC as a strong method to quantify short-term stress reactions in wildlife. Moreover, our results clearly show that human presence at the trapping site prior to handling should be kept to an absolute minimum in order to reduce stress levels.

Photodisintegration reactions for nuclear astrophysics studies at ELI-NP

NASA Astrophysics Data System (ADS)

Matei, C.; Balabanski, D.; Filipescu, D. M.; Tesileanu, O.

2018-01-01

Extreme Light Infrastructure - Nuclear Physics facility will come online in Bucharest-Magurele, Romania, in 2018 and will deliver high intensity laser and brilliant gamma beams. We present the physics cases and instruments proposed at ELI-NP to measure capture reactions by means of the inverse photodisintegration reaction. We propose to study the 16O(γ, α)12C reaction using a Time Projection Chamber detector with electronic readout. Several other reactions, such as 24Mg(γ, α)20Ne and reactions on heavy nuclei relevant in the p-process, are central to stellar evolution and will be investigated with a proposed Silicon Strip Detector array and a 4π neutron detector. The status of the experimental facilities and first-day experiments will be presented in detail.

Geological Sequestration Training and Research Program in Capture and Transport: Development of the Most Economical Separation Method for CO2 Capture

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

Vahdat, Nader

2013-09-30

The project provided hands-on training and networking opportunities to undergraduate students in the area of carbon dioxide (CO2) capture and transport, through fundamental research study focused on advanced separation methods that can be applied to the capture of CO2 resulting from the combustion of fossil-fuels for power generation . The project team’s approach to achieve its objectives was to leverage existing Carbon Capture and Storage (CCS) course materials and teaching methods to create and implement an annual CCS short course for the Tuskegee University community; conduct a survey of CO2 separation and capture methods; utilize data to verify and developmore » computer models for CO2 capture and build CCS networks and hands-on training experiences. The objectives accomplished as a result of this project were: (1) A comprehensive survey of CO2 capture methods was conducted and mathematical models were developed to compare the potential economics of the different methods based on the total cost per year per unit of CO2 avoidance; and (2) Training was provided to introduce the latest CO2 capture technologies and deployment issues to the university community.« less

Neutron detector

DOEpatents

Stephan, Andrew C [Knoxville, TN; Jardret,; Vincent, D [Powell, TN

2011-04-05

A neutron detector has a volume of neutron moderating material and a plurality of individual neutron sensing elements dispersed at selected locations throughout the moderator, and particularly arranged so that some of the detecting elements are closer to the surface of the moderator assembly and others are more deeply embedded. The arrangement captures some thermalized neutrons that might otherwise be scattered away from a single, centrally located detector element. Different geometrical arrangements may be used while preserving its fundamental characteristics. Different types of neutron sensing elements may be used, which may operate on any of a number of physical principles to perform the function of sensing a neutron, either by a capture or a scattering reaction, and converting that reaction to a detectable signal. High detection efficiency, an ability to acquire spectral information, and directional sensitivity may be obtained.

Scissors Mode of 162 Dy Studied from Resonance Neutron Capture

DOE PAGES

Baramsai, B.; Bečvář, F.; Bredeweg, T. A.; ...

2015-05-28

Multi-step cascade γ-ray spectra from the neutron capture at isolated resonances of 161Dy nucleus were measured at the LANSCE/DANCE time-of-flight facility in Los Alamos National Laboratory. The objectives of this experiment were to confirm and possibly extend the spin assignment of s-wave neutron resonances and get new information on photon strength functions with emphasis on the role of the M1 scissors mode vibration. The preliminary results show that the scissors mode plays a significant role in all transitions between accessible states of the studied nucleus. The photon strength functions describing well our data are compared to results from 3He-induced reactions,more » (n,γ) experiments on Gd isotopes, and (γ,γ’) reactions.« less

Integrated CO2 capture-fixation chemistry via interfacial ionic liquid catalyst in laminar gas/liquid flow

NASA Astrophysics Data System (ADS)

Vishwakarma, Niraj K.; Singh, Ajay K.; Hwang, Yoon-Ho; Ko, Dong-Hyeon; Kim, Jin-Oh; Babu, A. Giridhar; Kim, Dong-Pyo

2017-03-01

Simultaneous capture of carbon dioxide (CO2) and its utilization with subsequent work-up would significantly enhance the competitiveness of CO2-based sustainable chemistry over petroleum-based chemistry. Here we report an interfacial catalytic reaction platform for an integrated autonomous process of simultaneously capturing/fixing CO2 in gas-liquid laminar flow with subsequently providing a work-up step. The continuous-flow microreactor has built-in silicon nanowires (SiNWs) with immobilized ionic liquid catalysts on tips of cone-shaped nanowire bundles. Because of the superamphiphobic SiNWs, a stable gas-liquid interface maintains between liquid flow of organoamines in upper part and gas flow of CO2 in bottom part of channel. The intimate and direct contact of the binary reagents leads to enhanced mass transfer and facilitating reactions. The autonomous integrated platform produces and isolates 2-oxazolidinones and quinazolines-2,4(1H,3H)-diones with 81-97% yields under mild conditions. The platform would enable direct CO2 utilization to produce high-valued specialty chemicals from flue gases without pre-separation and work-up steps.

Integrated CO2 capture-fixation chemistry via interfacial ionic liquid catalyst in laminar gas/liquid flow.

PubMed

Vishwakarma, Niraj K; Singh, Ajay K; Hwang, Yoon-Ho; Ko, Dong-Hyeon; Kim, Jin-Oh; Babu, A Giridhar; Kim, Dong-Pyo

2017-03-06

Simultaneous capture of carbon dioxide (CO 2 ) and its utilization with subsequent work-up would significantly enhance the competitiveness of CO 2 -based sustainable chemistry over petroleum-based chemistry. Here we report an interfacial catalytic reaction platform for an integrated autonomous process of simultaneously capturing/fixing CO 2 in gas-liquid laminar flow with subsequently providing a work-up step. The continuous-flow microreactor has built-in silicon nanowires (SiNWs) with immobilized ionic liquid catalysts on tips of cone-shaped nanowire bundles. Because of the superamphiphobic SiNWs, a stable gas-liquid interface maintains between liquid flow of organoamines in upper part and gas flow of CO 2 in bottom part of channel. The intimate and direct contact of the binary reagents leads to enhanced mass transfer and facilitating reactions. The autonomous integrated platform produces and isolates 2-oxazolidinones and quinazolines-2,4(1H,3H)-diones with 81-97% yields under mild conditions. The platform would enable direct CO 2 utilization to produce high-valued specialty chemicals from flue gases without pre-separation and work-up steps.

Integrated CO2 capture-fixation chemistry via interfacial ionic liquid catalyst in laminar gas/liquid flow

PubMed Central

Vishwakarma, Niraj K.; Singh, Ajay K.; Hwang, Yoon-Ho; Ko, Dong-Hyeon; Kim, Jin-Oh; Babu, A. Giridhar; Kim, Dong-Pyo

2017-01-01

Simultaneous capture of carbon dioxide (CO2) and its utilization with subsequent work-up would significantly enhance the competitiveness of CO2-based sustainable chemistry over petroleum-based chemistry. Here we report an interfacial catalytic reaction platform for an integrated autonomous process of simultaneously capturing/fixing CO2 in gas–liquid laminar flow with subsequently providing a work-up step. The continuous-flow microreactor has built-in silicon nanowires (SiNWs) with immobilized ionic liquid catalysts on tips of cone-shaped nanowire bundles. Because of the superamphiphobic SiNWs, a stable gas–liquid interface maintains between liquid flow of organoamines in upper part and gas flow of CO2 in bottom part of channel. The intimate and direct contact of the binary reagents leads to enhanced mass transfer and facilitating reactions. The autonomous integrated platform produces and isolates 2-oxazolidinones and quinazolines-2,4(1H,3H)-diones with 81–97% yields under mild conditions. The platform would enable direct CO2 utilization to produce high-valued specialty chemicals from flue gases without pre-separation and work-up steps. PMID:28262667

Using Multiscale Modeling to Study Coupled Flow, Transport, Reaction and Biofilm Growth Processes in Porous Media

NASA Astrophysics Data System (ADS)

Valocchi, A. J.; Laleian, A.; Werth, C. J.

2017-12-01

Perturbation of natural subsurface systems by fluid inputs may induce geochemical or microbiological reactions that change porosity and permeability, leading to complex coupled feedbacks between reaction and transport processes. Some examples are precipitation/dissolution processes associated with carbon capture and storage and biofilm growth associated with contaminant transport and remediation. We study biofilm growth due to mixing controlled reaction of multiple substrates. As biofilms grow, pore clogging occurs which alters pore-scale flow paths thus changing the mixing and reaction. These interactions are challenging to quantify using conventional continuum-scale porosity-permeability relations. Pore-scale models can accurately resolve coupled reaction, biofilm growth and transport processes, but modeling at this scale is not feasible for practical applications. There are two approaches to address this challenge. Results from pore-scale models in generic pore structures can be used to develop empirical relations between porosity and continuum-scale parameters, such as permeability and dispersion coefficients. The other approach is to develop a multiscale model of biofilm growth in which non-overlapping regions at pore and continuum spatial scales are coupled by a suitable method that ensures continuity of flux across the interface. Thus, regions of high reactivity where flow alteration occurs are resolved at the pore scale for accuracy while regions of low reactivity are resolved at the continuum scale for efficiency. This approach thus avoids the need for empirical upscaling relations in regions with strong feedbacks between reaction and porosity change. We explore and compare these approaches for several two-dimensional cases.

Real-time monitoring of enzyme activity in a mesoporous silicon double layer

PubMed Central

Orosco, Manuel M.; Pacholski, Claudia; Sailor, Michael J.

2009-01-01

A double layer mesoporous silicon with different pore sizes functions as a nano-reactor that can isolate, filter and quantify the kinetics of enzyme reactions in real-time by optical reflectivity. This tiny reactor may be used to rapidly characterize a variety of isolated enzymes in a label-free manner. Activity of certain protease enzymes is often an indicator of disease states such as cancer1,2, stroke2, and neurodegeneracy3, and thus, there is a need for rapid assays that can characterize the kinetics and substrate specificity of enzymatic reactions. Nanostructured membranes can efficiently separate biomolecules4 but coupling a sensitive detection method remains difficult. Here we report a single mesoporous nano-reactor that can isolate and quantify in real-time the reaction products of proteases. The reactor consists of two layers of porous films electrochemically prepared from crystalline silicon. The upper layer with large pore sizes traps the protease enzymes and acts as the reactor while the lower layer with smaller pore sizes excludes the large proteins and captures the reaction products. Infiltration of the digested fragments into the lower layer produces a measurable change in optical reflectivity and this allows label-free quantification of enzyme kinetics in real-time within a volume of approximately 5 nanoliters. PMID:19350037

Two-proton capture on the 68Se nucleus with a new self-consistent cluster model

NASA Astrophysics Data System (ADS)

Hove, D.; Garrido, E.; Jensen, A. S.; Sarriguren, P.; Fynbo, H. O. U.; Fedorov, D. V.; Zinner, N. T.

2018-07-01

We investigate the two-proton capture reaction of the prominent rapid proton capture waiting point nucleus, 68Se, that produces the borromean nucleus 70Kr (68Se + p + p). We apply a recently formulated general model where the core nucleus, 68Se, is treated in the mean-field approximation and the three-body problem of the two valence protons and the core is solved exactly. We compare using two popular Skyrme interactions, SLy4 and SkM*. We calculate E2 electromagnetic two-proton dissociation and capture cross sections, and derive the temperature dependent capture rates. We vary the unknown 2+ resonance energy without changing any of the structures computed self-consistently for both core and valence particles. We find rates increasing quickly with temperature below 2-4 GK after which we find rates varying by about a factor of two independent of 2+ resonance energy. The capture mechanism is sequential through the f5/2 proton-core resonance, but the continuum background contributes significantly.

The synthesis and the chemical and physical properties of non-aqueous silylamine solvents for carbon dioxide capture.

PubMed

Rohan, Amy L; Switzer, Jackson R; Flack, Kyle M; Hart, Ryan J; Sivaswamy, Swetha; Biddinger, Elizabeth J; Talreja, Manish; Verma, Manjusha; Faltermeier, Sean; Nielsen, Paul T; Pollet, Pamela; Schuette, George F; Eckert, Charles A; Liotta, Charles L

2012-11-01

Silylamine reversible ionic liquids were designed to achieve specific physical properties in order to address effective CO₂ capture. The reversible ionic liquid systems reported herein represent a class of switchable solvents where a relatively non-polar silylamine (molecular liquid) is reversibly transformed to a reversible ionic liquid (RevIL) by reaction with CO₂ (chemisorption). The RevILs can further capture additional CO₂ through physical absorption (physisorption). The effects of changes in structure on (1) the CO₂ capture capacity (chemisorption and physisorption), (2) the viscosity of the solvent systems at partial and total conversion to the ionic liquid state, (3) the energy required for reversing the CO₂ capture process, and (4) the ability to recycle the solvents systems are reported. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Progress In The Development Of A Tomographic SPECT System For Online Dosimetry In BNCT

NASA Astrophysics Data System (ADS)

Minsky, D. M.; Valda, A.; Kreiner, A. J.; Burlon, A. A.; Green, S.; Wojnecki, C.; Ghani, Z.

2010-08-01

In boron neutron capture therapy (BNCT) the delivered dose to the patient depends both on the neutron beam characteristics and on the 10B body distribution which, in turn, is governed by the tumor specificity of the 10B drug-carrier. BNCT dosimetry is a complex matter due to the several interactions that neutrons can undergo with the different nuclei present in tissue. However the boron capture reaction 10B(n,α)7Li accounts for about 80 % of the total dose in a tumor with 40 ppm in 10B concentration. Present dosimetric methods are indirect, based on drug biodistribution statistical data and subjected to inter and intra-patient variability. In order to overcome the consequences of the concomitant high dosimetric uncertainties, we propose a SPECT (Single Photon Emission Tomography) approach based on the detection of the prompt gamma-ray (478 keV) emitted in 94 % of the cases from 7Li. For this purpose we designed, built and tested a prototype based on LaBr3(Ce) scintillators. Measurements on a head and tumor phantom were performed in the accelerator-based BNCT facility of the University of Birmingham (UK). They result in the first tomographic image of the 10B capture distribution obtained in a BNCT facility.

Effects of water vapor pretreatment time and reaction temperature on CO(2) capture characteristics of a sodium-based solid sorbent in a bubbling fluidized-bed reactor.

PubMed

Seo, Yongwon; Jo, Sung-Ho; Ryu, Chong Kul; Yi, Chang-Keun

2007-10-01

CO(2) capture from flue gas using a sodium-based solid sorbent was investigated in a bubbling fluidized-bed reactor. Carbonation and regeneration temperature on CO(2) removal was determined. The extent of the chemical reactivity after carbonation or regeneration was characterized via (13)C NMR. In addition, the physical properties of the sorbent such as pore size, pore volume, and surface area after carbonation or regeneration were measured by gas adsorption method (BET). With water vapor pretreatment, near complete CO(2) removal was initially achieved and maintained for about 1-2min at 50 degrees C with 2s gas residence time, while without proper water vapor pretreatment CO(2) removal abruptly decreased from the beginning. Carbonation was effective at the lower temperature over the 50-70 degrees C temperature range, while regeneration more effective at the higher temperature over the 135-300 degrees C temperature range. To maintain the initial 90% CO(2) removal, it would be necessary to keep the regeneration temperature higher than about 135 degrees C. The results obtained in this study can be used as basic data for designing and operating a large scale CO(2) capture process with two fluidized-bed reactors.

Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

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

Mauguière, Frédéric A. L., E-mail: frederic.mauguiere@bristol.ac.uk; Collins, Peter, E-mail: peter.collins@bristol.ac.uk; Wiggins, Stephen, E-mail: stephen.wiggins@mac.com

We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface. We investigate the problem of capture of an atom by a diatomic molecule and show that a normally hyperbolic invariant manifold exists at large atom-diatom distances, away from any critical points on the potential. This normally hyperbolic invariantmore » manifold is the anchor for the construction of a dividing surface in phase space, which defines the outer or loose transition state governing capture dynamics. We present an algorithm for sampling an approximate capture dividing surface, and apply our methods to the recombination of the ozone molecule. We treat both 2 and 3 degrees of freedom models with zero total angular momentum. We have located the normally hyperbolic invariant manifold from which the orbiting (outer) transition state is constructed. This forms the basis for our analysis of trajectories for ozone in general, but with particular emphasis on the roaming trajectories.« less

Multivariate moment closure techniques for stochastic kinetic models

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

Lakatos, Eszter, E-mail: e.lakatos13@imperial.ac.uk; Ale, Angelique; Kirk, Paul D. W.

2015-09-07

Stochastic effects dominate many chemical and biochemical processes. Their analysis, however, can be computationally prohibitively expensive and a range of approximation schemes have been proposed to lighten the computational burden. These, notably the increasingly popular linear noise approximation and the more general moment expansion methods, perform well for many dynamical regimes, especially linear systems. At higher levels of nonlinearity, it comes to an interplay between the nonlinearities and the stochastic dynamics, which is much harder to capture correctly by such approximations to the true stochastic processes. Moment-closure approaches promise to address this problem by capturing higher-order terms of the temporallymore » evolving probability distribution. Here, we develop a set of multivariate moment-closures that allows us to describe the stochastic dynamics of nonlinear systems. Multivariate closure captures the way that correlations between different molecular species, induced by the reaction dynamics, interact with stochastic effects. We use multivariate Gaussian, gamma, and lognormal closure and illustrate their use in the context of two models that have proved challenging to the previous attempts at approximating stochastic dynamics: oscillations in p53 and Hes1. In addition, we consider a larger system, Erk-mediated mitogen-activated protein kinases signalling, where conventional stochastic simulation approaches incur unacceptably high computational costs.« less

Double-probe signal enhancing strategy for toxin aptasensing based on rolling circle amplification.

PubMed

Tong, Ping; Zhao, Wei-Wei; Zhang, Lan; Xu, Jing-Juan; Chen, Hong-Yuan

2012-03-15

On the basis of aptamer-based rolling circle amplification (RCA) and magnetic beads (MBs), a highly sensitive electrochemical method was developed for the determination of Ochratoxin A (OTA). Initially, an amino-modified capture DNA was immobilized onto MBs for the following hybridization with an OTA aptamer and a phosphate labeled padlock DNA. In the presence of OTA, the aptamer would dissociate from the bioconjugate, and the padlock DNA would subsequently hybridize with the capture DNA to form a circular template with the aid of the T4 ligase. Next, capture DNA would act as primer to initiate a linear RCA reaction and hence generate a long tandem repeated sequences by phi29 DNA polymerase and dNTPs. Then, two quantum dots (QDs) labeled DNA probes were tagged on the resulted RCA product to indicate the OTA recognition event by electrochemical readout. This strategy, based on the novel design of OTA-mediated DNA circularization, the combination of RCA and double signal probes introduction, could detect OTA down to the level of 0.2 pg mL(-1) with a dynamic range spanning more than 4 orders of magnitude. The proposed approach is tested to determine OTA in red wines and shows good application potential in real samples. Copyright © 2011 Elsevier B.V. All rights reserved.

Mechanistic kinetic models of enzymatic cellulose hydrolysis-A review.

PubMed

Jeoh, Tina; Cardona, Maria J; Karuna, Nardrapee; Mudinoor, Akshata R; Nill, Jennifer

2017-07-01

Bioconversion of lignocellulose forms the basis for renewable, advanced biofuels, and bioproducts. Mechanisms of hydrolysis of cellulose by cellulases have been actively studied for nearly 70 years with significant gains in understanding of the cellulolytic enzymes. Yet, a full mechanistic understanding of the hydrolysis reaction has been elusive. We present a review to highlight new insights gained since the most recent comprehensive review of cellulose hydrolysis kinetic models by Bansal et al. (2009) Biotechnol Adv 27:833-848. Recent models have taken a two-pronged approach to tackle the challenge of modeling the complex heterogeneous reaction-an enzyme-centric modeling approach centered on the molecularity of the cellulase-cellulose interactions to examine rate limiting elementary steps and a substrate-centric modeling approach aimed at capturing the limiting property of the insoluble cellulose substrate. Collectively, modeling results suggest that at the molecular-scale, how rapidly cellulases can bind productively (complexation) and release from cellulose (decomplexation) is limiting, while the overall hydrolysis rate is largely insensitive to the catalytic rate constant. The surface area of the insoluble substrate and the degrees of polymerization of the cellulose molecules in the reaction both limit initial hydrolysis rates only. Neither enzyme-centric models nor substrate-centric models can consistently capture hydrolysis time course at extended reaction times. Thus, questions of the true reaction limiting factors at extended reaction times and the role of complexation and decomplexation in rate limitation remain unresolved. Biotechnol. Bioeng. 2017;114: 1369-1385. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Foraging mechanisms of siscowet lake trout (Salvelinus namaycush siscowet) on pelagic prey

USGS Publications Warehouse

Keyler, Trevor D.; Hrabik, Thomas R.; Austin, C. Lee; Gorman, Owen T.; Mensinger, Allen F.

2015-01-01

The reaction distance, angle of attack, and foraging success were determined for siscowet lake trout (Salvelinus namaycush siscowet) during laboratory trials under lighting conditions that approximated downwelling spectral irradiance and intensity (9.00 × 108–1.06 × 1014 photons m− 2 s− 1) at daytime depths. Siscowet reaction distance in response to golden shiners (Notemigonus crysoleucas) was directly correlated with increasing light intensity until saturation at 1.86 × 1011 photons m− 2 s− 1, above which reaction distance was constant within the range of tested light intensities. At the lowest tested light intensity, sensory detection was sufficient to locate prey at 25 ± 2 cm, while increasing light intensities increased reaction distance up to 59 ± 2 cm at 1.06 × 1014 photons m− 2 s− 1. Larger prey elicited higher reaction distances than smaller prey at all light intensities while moving prey elicited higher reaction distances than stationary prey at the higher light intensities (6.00 × 109 to 1.06 × 1014 photons m− 2 s− 1). The capture and consumption of prey similarly increased with increasing light intensity while time to capture decreased with increasing light intensity. The majority of orientations toward prey occurred within 120° of the longitudinal axis of the siscowet's eyes, although reaction distances among 30° increments along the entire axis were not significantly different. The developed predictive model will help determine reaction distances for siscowet in various photic environments and will help identify the mechanisms and behavior that allow for low light intensity foraging within freshwater systems.

Production of thorium-229 using helium nuclei

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

Mirzadeh, Saed; Garland, Marc Alan

A method for producing .sup.229Th includes the steps of providing .sup.226Ra as a target material, and bombarding the target material with alpha particles, helium-3, or neutrons to form .sup.229Th. When neutrons are used, the neutrons preferably include an epithermal neutron flux of at least 1.times.10.sup.13 n s.sup.-1cm.sup.-2. .sup.228Ra can also be bombarded with thermal and/or energetic neutrons to result in a neutron capture reaction to form .sup.229Th. Using .sup.230Th as a target material, .sup.229Th can be formed using neutron, gamma ray, proton or deuteron bombardment.

Assessment of Gait Characteristics in Total Knee Arthroplasty Patients Using a Hierarchical Partial Least Squares Method.

PubMed

Wang, Wei; Ackland, David C; McClelland, Jodie A; Webster, Kate E; Halgamuge, Saman

2018-01-01

Quantitative gait analysis is an important tool in objective assessment and management of total knee arthroplasty (TKA) patients. Studies evaluating gait patterns in TKA patients have tended to focus on discrete data such as spatiotemporal information, joint range of motion and peak values of kinematics and kinetics, or consider selected principal components of gait waveforms for analysis. These strategies may not have the capacity to capture small variations in gait patterns associated with each joint across an entire gait cycle, and may ultimately limit the accuracy of gait classification. The aim of this study was to develop an automatic feature extraction method to analyse patterns from high-dimensional autocorrelated gait waveforms. A general linear feature extraction framework was proposed and a hierarchical partial least squares method derived for discriminant analysis of multiple gait waveforms. The effectiveness of this strategy was verified using a dataset of joint angle and ground reaction force waveforms from 43 patients after TKA surgery and 31 healthy control subjects. Compared with principal component analysis and partial least squares methods, the hierarchical partial least squares method achieved generally better classification performance on all possible combinations of waveforms, with the highest classification accuracy . The novel hierarchical partial least squares method proposed is capable of capturing virtually all significant differences between TKA patients and the controls, and provides new insights into data visualization. The proposed framework presents a foundation for more rigorous classification of gait, and may ultimately be used to evaluate the effects of interventions such as surgery and rehabilitation.

The non-statistical dynamics of the 18O + 32O2 isotope exchange reaction at two energies

NASA Astrophysics Data System (ADS)

Van Wyngarden, Annalise L.; Mar, Kathleen A.; Quach, Jim; Nguyen, Anh P. Q.; Wiegel, Aaron A.; Lin, Shi-Ying; Lendvay, Gyorgy; Guo, Hua; Lin, Jim J.; Lee, Yuan T.; Boering, Kristie A.

2014-08-01

The dynamics of the 18O(3P) + 32O2 isotope exchange reaction were studied using crossed atomic and molecular beams at collision energies (Ecoll) of 5.7 and 7.3 kcal/mol, and experimental results were compared with quantum statistical (QS) and quasi-classical trajectory (QCT) calculations on the O3(X1A') potential energy surface (PES) of Babikov et al. [D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lesard, and R. Schinke, J. Chem. Phys. 118, 6298 (2003)]. In both QS and QCT calculations, agreement with experiment was markedly improved by performing calculations with the experimental distribution of collision energies instead of fixed at the average collision energy. At both collision energies, the scattering displayed a forward bias, with a smaller bias at the lower Ecoll. Comparisons with the QS calculations suggest that 34O2 is produced with a non-statistical rovibrational distribution that is hotter than predicted, and the discrepancy is larger at the lower Ecoll. If this underprediction of rovibrational excitation by the QS method is not due to PES errors and/or to non-adiabatic effects not included in the calculations, then this collision energy dependence is opposite to what might be expected based on collision complex lifetime arguments and opposite to that measured for the forward bias. While the QCT calculations captured the experimental product vibrational energy distribution better than the QS method, the QCT results underpredicted rotationally excited products, overpredicted forward-bias and predicted a trend in the strength of forward-bias with collision energy opposite to that measured, indicating that it does not completely capture the dynamic behavior measured in the experiment. Thus, these results further underscore the need for improvement in theoretical treatments of dynamics on the O3(X1A') PES and perhaps of the PES itself in order to better understand and predict non-statistical effects in this reaction and in the formation of ozone (in which the intermediate O3* complex is collisionally stabilized by a third body). The scattering data presented here at two different collision energies provide important benchmarks to guide these improvements.

In situ amplified electrochemical aptasensing for sensitive detection of adenosine triphosphate by coupling target-induced hybridization chain reaction with the assembly of silver nanotags.

PubMed

Zhou, Qian; Lin, Youxiu; Lin, Yuping; Wei, Qiaohua; Chen, Guonan; Tang, Dianping

2016-01-01

Biomolecular immobilization and construction of the sensing platform are usually crucial for the successful development of a high-efficiency detection system. Herein we report on a novel and label-free signal-amplified aptasensing for sensitive electrochemical detection of small molecules (adenosine triphosphate, ATP, used in this case) by coupling with target-induced hybridization chain reaction (HCR) and the assembly of electroactive silver nanotags. The system mainly consisted of two alternating hairpin probes, a partial-pairing trigger-aptamer duplex DNA and a capture probe immobilized on the electrode. Upon target ATP introduction, the analyte attacked the aptamer and released the trigger DNA, which was captured by capture DNA immobilized on the electrode to form a newly partial-pairing double-stranded DNA. Thereafter, the exposed domain at trigger DNA could be utilized as the initator strand to open the hairpin probes in sequence, and propagated a chain reaction of hybridization events between two alternating hairpins to form a long nicked double-helix. The electrochemical signal derived from the assembled silver nanotags on the nicked double-helix. Under optimal conditions, the electrochemical aptasensor could exhibit a high sensitivity and a low detection limit, and allowed the detection of ATP at a concentration as low as 0.03 pM. Our design showed a high selectivity for target ATP against its analogs because of the high-specificity ATP-aptamer reaction, and its applicable for monitoring ATP in the spiking serum samples. Improtantly, the distinct advantages of the developed aptasensor make it hold a great potential for the development of simple and robust sensing strategies for the detection of other small molecules by controlling the apatmer sequence. Copyright © 2015 Elsevier B.V. All rights reserved.

A simple method relating specific rate constants k(E,J) and Thermally averaged rate constants k(infinity)(T) of unimolecular bond fission and the reverse barrierless association reactions.

PubMed

Troe, J; Ushakov, V G

2006-06-01

This work describes a simple method linking specific rate constants k(E,J) of bond fission reactions AB --> A + B with thermally averaged capture rate constants k(cap)(T) of the reverse barrierless combination reactions A + B --> AB (or the corresponding high-pressure dissociation or recombination rate constants k(infinity)(T)). Practical applications are given for ionic and neutral reaction systems. The method, in the first stage, requires a phase-space theoretical treatment with the most realistic minimum energy path potential available, either from reduced dimensionality ab initio or from model calculations of the potential, providing the centrifugal barriers E(0)(J). The effects of the anisotropy of the potential afterward are expressed in terms of specific and thermal rigidity factors f(rigid)(E,J) and f(rigid)(T), respectively. Simple relationships provide a link between f(rigid)(E,J) and f(rigid)(T) where J is an average value of J related to J(max)(E), i.e., the maximum J value compatible with E > or = E0(J), and f(rigid)(E,J) applies to the transitional modes. Methods for constructing f(rigid)(E,J) from f(rigid)(E,J) are also described. The derived relationships are adaptable and can be used on that level of information which is available either from more detailed theoretical calculations or from limited experimental information on specific or thermally averaged rate constants. The examples used for illustration are the systems C6H6+ <==> C6H5+ + H, C8H10+ --> C7H7+ + CH3, n-C9H12+ <==> C7H7+ + C2H5, n-C10H14+ <==> C7H7+ + C3H7, HO2 <==> H + O2, HO2 <==> HO + O, and H2O2 <==> 2HO.

Two types of nanoparticle-based bio-barcode amplification assays to detect HIV-1 p24 antigen.

PubMed

Dong, Huahuang; Liu, Jianli; Zhu, Hong; Ou, Chin-Yih; Xing, Wenge; Qiu, Maofeng; Zhang, Guiyun; Xiao, Yao; Yao, Jun; Pan, Pinliang; Jiang, Yan

2012-08-31

HIV-1 p24 antigen is a major viral component of human immunodeficiency virus type 1 (HIV-1) which can be used to identify persons in the early stage of infection and transmission of HIV-1 from infected mothers to infants. The detection of p24 is usually accomplished by using an enzyme-linked immunosorbent assay (ELISA) with low detection sensitivity. Here we report the use of two bio-barcode amplification (BCA) assays combined with polymerase chain reaction (PCR) and gel electrophoresis to quantify HIV-1 p24 antigen. A pair of anti-p24 monoclonal antibodies (mAbs) were used in BCA assays to capture HIV-1 p24 antigen in a sandwich format and allowed for the quantitative measurement of captured p24 using PCR and gel electrophoresis. The first 1 G12 mAb was coated on microplate wells or magnetic microparticles (MMPs) to capture free p24 antigens. Captured p24 in turn captured 1D4 mAb coated gold nanoparticle probes (GNPs) containing double-stranded DNA oligonucleotides. One strand of the oligonucleotides was covalently immobilized whereas the unbound complimentary bio-barcode DNA strand could be released upon heating. The released bio-barcode DNA was amplified by PCR, electrophoresed in agarose gel and quantified. The in-house ELISA assay was found to quantify p24 antigen with a limit of detection (LOD) of 1,000 pg/ml and a linear range between 3,000 and 100,000 pg/ml. In contrast, the BCA-based microplate method yielded an LOD of 1 pg/ml and a linear detection range from 1 to 10,000 pg/ml. The BCA-based MMP method yielded an LOD of 0.1 pg/ml and a linear detection range from 0.1 to 1,000 pg/ml. When combined with PCR and simple gel electrophoresis, BCA-based microplate and MMPs assays can be used to quantify HIV-1 p24 antigen. These methods are 3-4 orders of magnitude more sensitive than our in-house ELISA-based assay and may provide a useful approach to detect p24 in patients newly infected with HIV.

Interference effect between neutron direct and resonance capture reactions for neutron-rich nuclei

NASA Astrophysics Data System (ADS)

Minato, Futoshi; Fukui, Tokuro

2017-11-01

Interference effect of neutron capture cross section between the compound and direct processes is investigated. The compound process is calculated by resonance parameters and the direct process by the potential model. The interference effect is tested for neutron-rich 82Ge and 134Sn nuclei relevant to r-process and light nucleus 13C which is neutron poison in the s-process and produces long-lived radioactive nucleus 14C (T1/2 = 5700 y). The interference effects in those nuclei are significant around resonances, and low energy region if s-wave neutron direct capture is possible. Maxwellian averaged cross sections at kT = 30 and 300 keV are also calculated, and the interference effect changes the Maxwellian averaged capture cross section largely depending on resonance position.

Ultra-fast electron capture by electrosterically-stabilized gold nanoparticles.

PubMed

Ghandi, Khashayar; Findlater, Alexander D; Mahimwalla, Zahid; MacNeil, Connor S; Awoonor-Williams, Ernest; Zahariev, Federico; Gordon, Mark S

2015-07-21

Ultra-fast pre-solvated electron capture has been observed for aqueous solutions of room-temperature ionic liquid (RTIL) surface-stabilized gold nanoparticles (AuNPs; ∼9 nm). The extraordinarily large inverse temperature dependent rate constants (k(e)∼ 5 × 10(14) M(-1) s(-1)) measured for the capture of electrons in solution suggest electron capture by the AuNP surface that is on the timescale of, and therefore in competition with, electron solvation and electron-cation recombination reactions. The observed electron transfer rates challenge the conventional notion that radiation induced biological damage would be enhanced in the presence of AuNPs. On the contrary, AuNPs stabilized by non-covalently bonded ligands demonstrate the potential to quench radiation-induced electrons, indicating potential applications in fields ranging from radiation therapy to heterogeneous catalysis.

Viability preserved capture of microorganism by plasma functionalized carbon-encapsulated iron nanoparticles

NASA Astrophysics Data System (ADS)

Viswan, Anchu; Sugiura, Kuniaki; Nagatsu, Masaaki

2015-09-01

Carbon-encapsulated iron nanoparticles (Fe@C NPs) were synthesized by DC arc discharge method. Carbon encapsulation makes the particles hydrophobic, however for most of the biomedical applications they need to be hydrophilic. To attain this, the particles were amino functionalized by RF plasma. Effect of gas mixture ratio (Ar/NH3), pretreatment, post-treatment times and RF power were optimized. By varying the RF plasma conditions, the amino group population on the surface of Fe@C NPs were increased. With conventional chemical method the amino group population on particles, synthesized in different conditions was found to be ranging from 3-7 × 104 per particle. Bioconjugation efficiency of the nanoparticles was examined by biotin-avidin system, which can be simulated for antigen-antibody reactions. Results from the UV absorption and fluorescence spectroscopy shows increment in bioconjugation efficiency, with the increase of amino group population on the nanoparticles. After confirming the bioconjugation efficiency, the amino functionalized Fe@C NPs were modified with antibodies for targeting specific microorganisms. Our aim is to capture the microbes in viable and concentrated form even from less populated samples, with lesser time compared to the presently available methods. This work has been supported in part by Grant-in-Aid for Scientific Research (Nos. 21110010 and 25246029) from the Japan Society for the Promotion of Science (JSPS).

Description and evaluation of a peracetic acid air sampling and analysis method.

PubMed

Nordling, John; Kinsky, Owen R; Osorio, Magdalena; Pechacek, Nathan

2017-12-01

Peracetic acid (PAA) is a corrosive chemical with a pungent odor, which is extensively used in occupational settings and causes various health hazards in exposed workers. Currently, there is no US government agency recommended method that could be applied universally for the sampling and analysis of PAA. Legacy methods for determining airborne PAA vapor levels frequently suffered from cross-reactivity with other chemicals, particularly hydrogen peroxide (H 2 O 2 ). Therefore, to remove the confounding factor of cross-reactivity, a new viable, sensitive method was developed for assessment of PAA exposure levels, based on the differential reaction kinetics of PAA with methyl p-tolylsulfide (MTS), relative to H 2 O 2 , to preferentially derive methyl p-tolysulfoxide (MTSO). By quantifying MTSO concentration produced in the liquid capture solution from an air sampler, using an internal standard, and utilizing the reaction stoichiometry of PAA and MTS, the original airborne concentration of PAA is determined. After refining this liquid trap high-performance liquid chromatography (HPLC) method in the laboratory, it was tested in five workplace settings where PAA products were used. PAA levels ranged from the detection limit of 0.013 parts per million (ppm) to 0.4 ppm. The results indicate a viable and potentially dependable method to assess the concentrations of PAA vapors under occupational exposure scenarios, though only a small number of field measurements were taken while field testing this method. However, the low limit of detection and precision offered by this method makes it a strong candidate for further testing and validation to expand the uses of this liquid trap HPLC method.

Reproducibility of combinatorial peptide ligand libraries for proteome capture evaluated by selected reaction monitoring.

PubMed

Di Girolamo, Francesco; Righetti, Pier Giorgio; Soste, Martin; Feng, Yuehan; Picotti, Paola

2013-08-26

Systems biology studies require the capability to quantify with high precision proteins spanning a broad range of abundances across multiple samples. However, the broad range of protein expression in cells often precludes the detection of low-abundance proteins. Different sample processing techniques can be applied to increase proteome coverage. Among these, combinatorial (hexa)peptide ligand libraries (CPLLs) bound to solid matrices have been used to specifically capture and detect low-abundance proteins in complex samples. To assess whether CPLL capture can be applied in systems biology studies involving the precise quantitation of proteins across a multitude of samples, we evaluated its performance across the whole range of protein abundances in Saccharomyces cerevisiae. We used selected reaction monitoring assays for a set of target proteins covering a broad abundance range to quantitatively evaluate the precision of the approach and its capability to detect low-abundance proteins. Replicated CPLL-isolates showed an average variability of ~10% in the amount of the isolated proteins. The high reproducibility of the technique was not dependent on the abundance of the protein or the amount of beads used for the capture. However, the protein-to-bead ratio affected the enrichment of specific proteins. We did not observe a normalization effect of CPLL beads on protein abundances. However, CPLLs enriched for and depleted specific sets of proteins and thus changed the abundances of proteins from a whole proteome extract. This allowed the identification of ~400 proteins otherwise undetected in an untreated sample, under the experimental conditions used. CPLL capture is thus a useful tool to increase protein identifications in proteomic experiments, but it should be coupled to the analysis of untreated samples, to maximize proteome coverage. Our data also confirms that CPLL capture is reproducible and can be confidently used in quantitative proteomic experiments. Combinatorial hexapeptide ligand libraries (CPLLs) bound to solid matrices have been proposed to specifically capture and detect low-abundance proteins in complex samples. To assess whether the CPLL capture can be confidently applied in systems biology studies involving the precise quantitation of proteins across a broad range of abundances and a multitude of samples, we evaluated its reproducibility and performance features. Using selected reaction monitoring assays for proteins covering the whole range of abundances we show that the technique is reproducible and compatible with quantitative proteomic studies. However, the protein-to-bead ratio affects the enrichment of specific proteins and CPLLs depleted specific sets of proteins from a whole proteome extract. Our results suggest that CPLL-based analyses should be coupled to the analysis of untreated samples, to maximize proteome coverage. Overall, our data confirms the applicability of CPLLs in systems biology research and guides the correct use of this technique. Copyright © 2013 Elsevier B.V. All rights reserved.

STEPS: efficient simulation of stochastic reaction-diffusion models in realistic morphologies.

PubMed

Hepburn, Iain; Chen, Weiliang; Wils, Stefan; De Schutter, Erik

2012-05-10

Models of cellular molecular systems are built from components such as biochemical reactions (including interactions between ligands and membrane-bound proteins), conformational changes and active and passive transport. A discrete, stochastic description of the kinetics is often essential to capture the behavior of the system accurately. Where spatial effects play a prominent role the complex morphology of cells may have to be represented, along with aspects such as chemical localization and diffusion. This high level of detail makes efficiency a particularly important consideration for software that is designed to simulate such systems. We describe STEPS, a stochastic reaction-diffusion simulator developed with an emphasis on simulating biochemical signaling pathways accurately and efficiently. STEPS supports all the above-mentioned features, and well-validated support for SBML allows many existing biochemical models to be imported reliably. Complex boundaries can be represented accurately in externally generated 3D tetrahedral meshes imported by STEPS. The powerful Python interface facilitates model construction and simulation control. STEPS implements the composition and rejection method, a variation of the Gillespie SSA, supporting diffusion between tetrahedral elements within an efficient search and update engine. Additional support for well-mixed conditions and for deterministic model solution is implemented. Solver accuracy is confirmed with an original and extensive validation set consisting of isolated reaction, diffusion and reaction-diffusion systems. Accuracy imposes upper and lower limits on tetrahedron sizes, which are described in detail. By comparing to Smoldyn, we show how the voxel-based approach in STEPS is often faster than particle-based methods, with increasing advantage in larger systems, and by comparing to MesoRD we show the efficiency of the STEPS implementation. STEPS simulates models of cellular reaction-diffusion systems with complex boundaries with high accuracy and high performance in C/C++, controlled by a powerful and user-friendly Python interface. STEPS is free for use and is available at http://steps.sourceforge.net/

LES/RANS Simulation of a Supersonic Reacting Wall Jet

NASA Technical Reports Server (NTRS)

Edwards, Jack R.; Boles, John A.; Baurle, Robert A.

2010-01-01

This work presents results from large-eddy / Reynolds-averaged Navier-Stokes (LES/RANS) simulations of the well-known Burrows-Kurkov supersonic reacting wall-jet experiment. Generally good agreement with experimental mole fraction, stagnation temperature, and Pitot pressure profiles is obtained for non-reactive mixing of the hydrogen jet with a non-vitiated air stream. A lifted flame, stabilized between 10 and 22 cm downstream of the hydrogen jet, is formed for hydrogen injected into a vitiated air stream. Flame stabilization occurs closer to the hydrogen injection location when a three-dimensional combustor geometry (with boundary layer development resolved on all walls) is considered. Volumetric expansion of the reactive shear layer is accompanied by the formation of large eddies which interact strongly with the reaction zone. Time averaged predictions of the reaction zone structure show an under-prediction of the peak water concentration and stagnation temperature, relative to experimental data and to results from a Reynolds-averaged Navier-Stokes calculation. If the experimental data can be considered as being accurate, this result indicates that the present LES/RANS method does not correctly capture the cascade of turbulence scales that should be resolvable on the present mesh. Instead, energy is concentrated in the very largest scales, which provide an over-mixing effect that excessively cools and strains the flame. Predictions improve with the use of a low-dissipation version of the baseline piecewise parabolic advection scheme, which captures the formation of smaller-scale structures superimposed on larger structures of the order of the shear-layer width.

Gallium metal affinity capture tandem mass spectrometry for the selective detection of phosphopeptides in complex mixtures

PubMed Central

Blacken, Grady R.; Sadílek, Martin; Tureček, František

2008-01-01

Metal affinity capture tandem mass spectrometry (MAC-MSMS) is evaluated in a comparative study of a lysine-derived nitrilotriacetic acid (Nα, Nα-bis-(carboxymethyl)lysine, LysNTA) and an aspartic-acid-related iminodiacetic acid (N-(4-aminobutyl)aspartic acid, AspIDA) as selective phosphopeptide detection reagents. Both LysNTA and AspIDA spontaneously form ternary complexes with GaIII and phosphorylated amino acids and phosphopeptides upon mixing in solution. Collision-induced dissociation of positive complex ions produced by electrospray produces common fragments (LysNTA + H)+ or (AspIDA + H)+ at m/z 263 and 205, respectively. MSMS precursor scans using these fragments as reporter ions allow one to selectively detect multiple charge states of phosphopeptides in mixtures. It follows from this comparative study that LysNTA is superior to AspIDA in detecting phosphopeptides, possibly because of the higher coordination number and greater stability constant for GaIII – phosphopeptide complexation of the former reagent. In a continuing development of MAC-MSMS for proteomics applications, we demonstrate its utility in a post-column reaction format. Using a simple post-column-reaction ‘T’ and syringe pump to deliver our chelating reagents, α-casein tryptic phosphopeptides can be selectively analyzed from a solution containing a twofold molar excess of bovine serum albumin. The MAC-MSMS method is shown to be superior to the commonly used neutral loss scan for the common loss of phosphoric acid. PMID:18265438

Enhancement in the sensitivity of microfluidic enzyme-linked immunosorbent assays through analyte preconcentration.

PubMed

Yanagisawa, Naoki; Dutta, Debashis

2012-08-21

In this Article, we describe a microfluidic enzyme-linked immunosorbent assay (ELISA) method whose sensitivity can be substantially enhanced through preconcentration of the target analyte around a semipermeable membrane. The reported preconcentration has been accomplished in our current work via electrokinetic means allowing a significant increase in the amount of captured analyte relative to nonspecific binding in the trapping/detection zone. Upon introduction of an enzyme substrate into this region, the rate of generation of the ELISA reaction product (resorufin) was observed to increase by over a factor of 200 for the sample and 2 for the corresponding blank compared to similar assays without analyte trapping. Interestingly, in spite of nonuniformities in the amount of captured analyte along the surface of our analysis channel, the measured fluorescence signal in the preconcentration zone increased linearly with time over an enzyme reaction period of 30 min and at a rate that was proportional to the analyte concentration in the bulk sample. In our current study, the reported technique has been shown to reduce the smallest detectable concentration of the tumor marker CA 19-9 and Blue Tongue Viral antibody by over 2 orders of magnitude compared to immunoassays without analyte preconcentration. When compared to microwell based ELISAs, the reported microfluidic approach not only yielded a similar improvement in the smallest detectable analyte concentration but also reduced the sample consumption in the assay by a factor of 20 (5 μL versus 100 μL).

(Bio)Sensing Using Nanoparticle Arrays: On the Effect of Analyte Transport on Sensitivity.

PubMed

Lynn, N Scott; Homola, Jiří

2016-12-20

There has recently been an extensive amount of work regarding the development of optical, electrical, and mechanical (bio)sensors employing planar arrays of surface-bound nanoparticles. The sensor output for these systems is dependent on the rate at which analyte is transported to, and interacts with, each nanoparticle in the array. There has so far been little discussion on the relationship between the design parameters of an array and the interplay of convection, diffusion, and reaction. Moreover, current methods providing such information require extensive computational simulation. Here we demonstrate that the rate of analyte transport to a nanoparticle array can be quantified analytically. We show that such rates are bound by both the rate to a single NP and that to a planar surface (having equivalent size as the array), with the specific rate determined by the fill fraction: the ratio between the total surface area used for biomolecular capture with respect to the entire sensing area. We characterize analyte transport to arrays with respect to changes in numerous parameters relevant to experiment, including variation of the nanoparticle shape and size, packing density, flow conditions, and analyte diffusivity. We also explore how analyte capture is dependent on the kinetic parameters related to an affinity-based biosensor, and furthermore, we classify the conditions under which the array might be diffusion- or reaction-limited. The results obtained herein are applicable toward the design and optimization of all (bio)sensors based on nanoparticle arrays.

Reliability of a computer-based system for measuring visual performance skills.

PubMed

Erickson, Graham B; Citek, Karl; Cove, Michelle; Wilczek, Jennifer; Linster, Carolyn; Bjarnason, Brendon; Langemo, Nathan

2011-09-01

Athletes have demonstrated better visual abilities than nonathletes. A vision assessment for an athlete should include methods to evaluate the quality of visual performance skills in the most appropriate, accurate, and repeatable manner. This study determines the reliability of the visual performance measures assessed with a computer-based system, known as the Nike Sensory Station. One hundred twenty-five subjects (56 men, 69 women), age 18 to 30, completed Phase I of the study. Subjects attended 2 sessions, separated by at least 1 week, in which identical protocols were followed. Subjects completed the following assessments: Visual Clarity, Contrast Sensitivity, Depth Perception, Near-Far Quickness, Target Capture, Perception Span, Eye-Hand Coordination, Go/No Go, and Reaction Time. An additional 36 subjects (20 men, 16 women), age 22 to 35, completed Phase II of the study involving modifications to the equipment, instructions, and protocols from Phase I. Results show no significant change in performance over time on assessments of Visual Clarity, Contrast Sensitivity, Depth Perception, Target Capture, Perception Span, and Reaction Time. Performance did improve over time for Near-Far Quickness, Eye-Hand Coordination, and Go/No Go. The results of this study show that many of the Nike Sensory Station assessments show repeatability and no learning effect over time. The measures that did improve across sessions show an expected learning effect caused by the motor response characteristics being measured. Copyright © 2011 American Optometric Association. Published by Elsevier Inc. All rights reserved.

Real-time quantification of antibody-short interfering RNA conjugate in serum by antigen capture reverse transcription-polymerase chain reaction.

PubMed

Tan, Martha; Vernes, Jean-Michel; Chan, Joyce; Cuellar, Trinna L; Asundi, Aarati; Nelson, Christopher; Yip, Victor; Shen, Ben; Vandlen, Richard; Siebel, Christian; Meng, Y Gloria

2012-11-15

Short interfering RNA (siRNA) has therapeutic potential. However, efficient delivery is a formidable task. To facilitate delivery of siRNA into cells, we covalently conjugated siRNA to antibodies that bind to cell surface proteins and internalize. Understanding how these antibody-siRNA conjugates function in vivo requires pharmacokinetic analysis. Thus, we developed a simple real-time antigen capture reverse transcription-polymerase chain reaction (RT-PCR) assay to detect intact antibody-siRNA conjugates. Biotinylated antigen bound to streptavidin-coated PCR tubes was used to capture antibody-siRNA conjugate. The captured antibody-siRNA conjugate was then reverse-transcribed in the same tube, avoiding a sample transfer step. This reproducible assay had a wide standard curve range of 0.029 to 480ng/ml and could detect as low as 0.58ng/ml antibody-siRNA conjugates in mouse serum. The presence of unconjugated antibody that could be generated from siRNA degradation in vivo did not affect the assay as long as the total antibody concentration in the antigen capture step did not exceed 480ng/ml. Using this assay, we observed a more rapid decrease in serum antibody-siRNA conjugate concentrations than the total antibody concentrations in mice dosed with antibody-siRNA conjugates, suggesting loss of siRNA from the antibody. This assay is useful for optimizing antibody-siRNA and likely aptamer-siRNA conjugates to improve pharmacokinetics and aid siRNA delivery. Copyright © 2012 Elsevier Inc. All rights reserved.

Carbon Dioxide Removal from Air using Seafloor Peridotite

NASA Astrophysics Data System (ADS)

Kelemen, P. B.; Brandt, A. R.; Benson, S. M.

2016-12-01

We describe a method for Carbon Dioxide Removal from Air (CDR) using CO2 uptake via mineral carbonation, about half the cost of that proposed by Kelemen & Matter [1,2]. Reaction of CO2-bearing fluids and gases with peridotite rapidly forms inert, non-toxic carbonate minerals. In proposed methods for combined capture and storage of ambient CO2 via reaction of seawater or ground water with peridotite [1-5], return of depleted water to the surface draws down CO2 from air. Because they use available chemical and thermal energy that drive spontaneous natural reactions, they may be the least expensive methods for capture of CO2 from air. We focus on subsurface CO2 uptake during flow of surface water through fractured peridotite. Previously [1-3], we envisioned a design similar to enhanced geothermal systems (EGS), involving two large diameter boreholes, subject to the challenges of achieving rapid, efficient return flow that limit the success of EGS. Recent discussions yielded a less expensive, more robust design: A single well produces ambient, CO2-depleted pore water from seafloor peridotite. Such water has low carbon and high pH [6,7,8]. Where such waters are delivered to the surface, observations reveal rapid CO2 uptake from air [1,3,8-10]. Delivery to the sea surface would also reduce local acidification. Thermal buoyancy and pumps powered by wave and tidal energy would bring warm formation water from wells to the surface through conduits surrounded by colder seawater. Recharge would be via flow in natural or enhanced fracture networks in unconfined submarine aquifers. This method could be tested and scaled-up in coastal, sub-seafloor peridotite with onshore drilling off Oman, New Caledonia and Papua New Guinea, Spain, Morocco, USA, etc. It is possible to achieve much larger scale. Giant volumes of peridotite are exposed on the seafloor along slow-spreading mid-ocean ridges [3]. Robotic drills could install wells that deliver CO2-depleted water through fabric tubes to the sea surface. Does anyone know James Cameron's phone number? [1] Kelemen & Matter PNAS 08 [2] Kelemen & Matter AGU Fall 14 [3] Kelemen et al AREPS 11 [4] Wilson et al IJGHGC 14 [5] Schuiling & Krijgsman Climate Change 06 [6] Barnes & O'Neil GSA Bull 69 [7] Kelley et al Science 01 [8] Paukert et al Chem Geol 12 [9] Mervine et al GCA 13 [10] Mervine et al Chem Geol 15

Hybrid deterministic/stochastic simulation of complex biochemical systems.

PubMed

Lecca, Paola; Bagagiolo, Fabio; Scarpa, Marina

2017-11-21

In a biological cell, cellular functions and the genetic regulatory apparatus are implemented and controlled by complex networks of chemical reactions involving genes, proteins, and enzymes. Accurate computational models are indispensable means for understanding the mechanisms behind the evolution of a complex system, not always explored with wet lab experiments. To serve their purpose, computational models, however, should be able to describe and simulate the complexity of a biological system in many of its aspects. Moreover, it should be implemented by efficient algorithms requiring the shortest possible execution time, to avoid enlarging excessively the time elapsing between data analysis and any subsequent experiment. Besides the features of their topological structure, the complexity of biological networks also refers to their dynamics, that is often non-linear and stiff. The stiffness is due to the presence of molecular species whose abundance fluctuates by many orders of magnitude. A fully stochastic simulation of a stiff system is computationally time-expensive. On the other hand, continuous models are less costly, but they fail to capture the stochastic behaviour of small populations of molecular species. We introduce a new efficient hybrid stochastic-deterministic computational model and the software tool MoBioS (MOlecular Biology Simulator) implementing it. The mathematical model of MoBioS uses continuous differential equations to describe the deterministic reactions and a Gillespie-like algorithm to describe the stochastic ones. Unlike the majority of current hybrid methods, the MoBioS algorithm divides the reactions' set into fast reactions, moderate reactions, and slow reactions and implements a hysteresis switching between the stochastic model and the deterministic model. Fast reactions are approximated as continuous-deterministic processes and modelled by deterministic rate equations. Moderate reactions are those whose reaction waiting time is greater than the fast reaction waiting time but smaller than the slow reaction waiting time. A moderate reaction is approximated as a stochastic (deterministic) process if it was classified as a stochastic (deterministic) process at the time at which it crosses the threshold of low (high) waiting time. A Gillespie First Reaction Method is implemented to select and execute the slow reactions. The performances of MoBios were tested on a typical example of hybrid dynamics: that is the DNA transcription regulation. The simulated dynamic profile of the reagents' abundance and the estimate of the error introduced by the fully deterministic approach were used to evaluate the consistency of the computational model and that of the software tool.

Isolation and purification of monosialotetrahexosylgangliosides from pig brain by extraction and liquid chromatography.

PubMed

Bian, Liujiao; Yang, Jianting; Sun, Yu

2015-10-01

Monosialotetrahexosylganglioside (GM1), one of glycosphingolipids containing sialic acid, plays particularly important role in fighting against paralysis, dementia and other diseases caused by brain and nerve damage. In this work, a simple and highly efficient method with high yield was developed for isolation and purification of GM1 from pig brain. The method consisted of an extraction by chloroform-methanol-water and a two-step chromatographic separation by DEAE-Sepharose Fast Flow anion-exchange medium and Sephacryl S-100 HR size-exclusion medium. The purified GM1 was proved to be homogeneous and had a purity of >98.0% by high-performance anion-exchange and size-exclusion chromatography. The molecular weight was 30.0 kDa by high-performance size-exclusion chromatography and 1546.9 Da by electrospray ionization mass spectrometry. The chromogenic reaction by resorcinol-hydrochloric acid solution indicated that the purified GM1 showed a specific chromogenic reaction of sialic acid. Through this isolation and purification program, ~1.0 mg of pure GM1 could be captured from 500 g wet pig brain tissue and the yield of GM1 was around 0.022%, which was higher than the yields by other methods. The method may provide an alternative for isolation and purification of GM1 in other biological tissues. Copyright © 2015 John Wiley & Sons, Ltd.

Adiabatically describing rare earths using microscopic deformations

NASA Astrophysics Data System (ADS)

Nobre, Gustavo; Dupuis, Marc; Herman, Michal; Brown, David

2017-09-01

Recent works showed that reactions on well-deformed nuclei in the rare-earth region are very well described by an adiabatic method. This assumes a spherical optical potential (OP) accounting for non-rotational degrees of freedom while the deformed configuration is described by couplings to states of the g.s. rotational band. This method has, apart from the global OP, only the deformation parameters as inputs, with no additional fit- ted variables. For this reason, it has only been applied to nuclei with well-measured deformations. With the new computational capabilities, microscopic large-scale calculations of deformation parameters within the HFB method based on the D1S Gogny force are available in the literature. We propose to use such microscopic deformations in our adi- abatic method, allowing us to reproduce the cross sections agreements observed in stable nuclei, and to reliably extend this description to nuclei far from stability, describing the whole rare-earth region. Since all cross sections, such as capture and charge exchange, strongly depend on the correct calculation of absorption from the incident channel (from direct reaction mechanisms), this approach significantly improves the accuracy of cross sections and transitions relevant to astrophysical studies. The work at BNL was sponsored by the Office of Nuclear Physics, Office of Science of the US Department of Energy, under Contract No. DE-AC02-98CH10886 with Brookhaven Science Associates, LLC.

Estimating fish populations by removal methods with minnow traps in southeast Alaska streams.

Treesearch

M.D. Bryant

2002-01-01

Passive capture methods, such as minnow traps, are commonly used to capture fish for mark-recapture population estimates; however, they have not been used for removal methods. Minnow traps set for 90-min periods during three or four sequential capture occasions during the summer of 1996 were used to capture coho salmon Oncorhynchus kisutch fry and...

Destruction of Peptides and Nucleosides in Reactions with Low-Energy Electrons

NASA Astrophysics Data System (ADS)

Muftakhov, M. V.; Shchukin, P. V.

2018-05-01

Mass-spectrometry of negative ions is used to study dissociative electron capture by molecules of several nucleosides, simplest di- and tripeptides, and modified dipeptides. Energy domains and efficiencies of dissociative capture are determined for the objects under study, and threshold energies of several fragmentation processes are estimated. It is shown that cytidine and peptides are stable against fragmentation due to simple bond breaking at electron energies ranging from 0 to 1 eV.

Measurements of neutron capture cross sections on 70Zn at 0.96 and 1.69 MeV

NASA Astrophysics Data System (ADS)

Punte, L. R. M.; Lalremruata, B.; Otuka, N.; Suryanarayana, S. V.; Iwamoto, Y.; Pachuau, Rebecca; Satheesh, B.; Thanga, H. H.; Danu, L. S.; Desai, V. V.; Hlondo, L. R.; Kailas, S.; Ganesan, S.; Nayak, B. K.; Saxena, A.

2017-02-01

The cross sections of the 70Zn(n ,γ )Zn71m (T1 /2=3.96 ±0.05 -h ) reaction have been measured relative to the 197Au(n ,γ )198Au cross sections at 0.96 and 1.69 MeV using a 7Li(p ,n )7Be neutron source and activation technique. The cross section of this reaction has been measured for the first time in the MeV region. The new experimental cross sections have been compared with the theoretical prediction by talys-1.6 with various level-density models and γ -ray strength functions as well as the tendl-2015 library. The talys-1.6 calculation with the generalized superfluid level-density model and Kopecky-Uhl generalized Lorentzian γ -ray strength function predicted the new experimental cross sections at both incident energies. The 70Zn(n ,γ ) g+m 71Zn total capture cross sections have also been derived by applying the evaluated isomeric ratios in the tendl-2015 library to the measured partial capture cross sections. The spectrum averaged total capture cross sections derived in the present paper agree well with the jendl-4.0 library at 0.96 MeV, whereas it lies between the tendl-2015 and the jendl-4.0 libraries at 1.69 MeV.

Kinetic modeling on CO₂ capture using basic oxygen furnace slag coupled with cold-rolling wastewater in a rotating packed bed.

PubMed

Chang, E-E; Chen, Tse-Lun; Pan, Shu-Yuan; Chen, Yi-Hung; Chiang, Pen-Chi

2013-09-15

In this study, direct and indirect carbonation of basic oxygen furnace slag (BOFS) coupled with cold-rolling wastewater (CRW) was carried out via a rotating packed bed (RPB). The solid products were qualitatively characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD) and quantitatively analyzed with thermogravimetric analysis (TGA). The leachate was analyzed with inductively coupled plasma-optical emission spectroscopy (ICP-OES). The results indicate that the maximum achievable carbonation conversion (MACC) of BOFS was 90.7%, corresponding to a capture capacity of 0.277 g CO₂/g of BOFS, by direct carbonation with CRW under a rotation speed of 750 rpm at 30 °C for 20 min. In addition, CO₂ mass balance among the gas, liquid, and solid phases within an RPB was well-developed, with an error less than 10%, to confirm the actual CO₂ capture capacity of BOFS with precision and accuracy. Furthermore, a reaction kinetic model based on mass balance was established to determine the reaction rate constant for various liquid agents (CRW and pure water). It was concluded that co-utilization of alkaline wastes including BOFS and CRW via the RPB is a novel approach for both enhancing CO₂ capture capacity and reducing the environmental impacts of alkaline wastes. Copyright © 2013 Elsevier B.V. All rights reserved.

Highly selective detection of single-nucleotide polymorphisms using a quartz crystal microbalance biosensor based on the toehold-mediated strand displacement reaction.

PubMed

Wang, Dingzhong; Tang, Wei; Wu, Xiaojie; Wang, Xinyi; Chen, Gengjia; Chen, Qiang; Li, Na; Liu, Feng

2012-08-21

Toehold-mediated strand displacement reaction (SDR) is first introduced to develop a simple quartz crystal microbalance (QCM) biosensor without an enzyme or label at normal temperature for highly selective and sensitive detection of single-nucleotide polymorphism (SNP) in the p53 tumor suppressor gene. A hairpin capture probe with an external toehold is designed and immobilized on the gold electrode surface of QCM. A successive SDR is initiated by the target sequence hybridization with the toehold domain and ends with the unfolding of the capture probe. Finally, the open-loop capture probe hybridizes with the streptavidin-coupled reporter probe as an efficient mass amplifier to enhance the QCM signal. The proposed biosensor displays remarkable specificity to target the p53 gene fragment against single-base mutant sequences (e.g., the largest discrimination factor is 63 to C-C mismatch) and high sensitivity with the detection limit of 0.3 nM at 20 °C. As the crucial component of the fabricated biosensor for providing the high discrimination capability, the design rationale of the capture probe is further verified by fluorescence sensing and atomic force microscopy imaging. Additionally, a recovery of 84.1% is obtained when detecting the target sequence in spiked HeLa cells lysate, demonstrating the feasibility of employing this biosensor in detecting SNPs in biological samples.

A classical but new kinetic equation for hydride transfer reactions.

PubMed

Zhu, Xiao-Qing; Deng, Fei-Huang; Yang, Jin-Dong; Li, Xiu-Tao; Chen, Qiang; Lei, Nan-Ping; Meng, Fan-Kun; Zhao, Xiao-Peng; Han, Su-Hui; Hao, Er-Jun; Mu, Yuan-Yuan

2013-09-28

A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were safely estimated in this work. Since the development of the kinetic equation is only on the basis of the related chemical bond changes of the hydride transfer reactants, the kinetic equation should be also suitable for proton transfer reactions, hydrogen atom transfer reactions and all the other chemical reactions involved with breaking and formation of chemical bonds. One of the most important contributions of this work is to have achieved the perfect unity of the kinetic equation and thermodynamic equation for hydride transfer reactions.

Adaptive macro finite elements for the numerical solution of monodomain equations in cardiac electrophysiology.

PubMed

Heidenreich, Elvio A; Ferrero, José M; Doblaré, Manuel; Rodríguez, José F

2010-07-01

Many problems in biology and engineering are governed by anisotropic reaction-diffusion equations with a very rapidly varying reaction term. This usually implies the use of very fine meshes and small time steps in order to accurately capture the propagating wave while avoiding the appearance of spurious oscillations in the wave front. This work develops a family of macro finite elements amenable for solving anisotropic reaction-diffusion equations with stiff reactive terms. The developed elements are incorporated on a semi-implicit algorithm based on operator splitting that includes adaptive time stepping for handling the stiff reactive term. A linear system is solved on each time step to update the transmembrane potential, whereas the remaining ordinary differential equations are solved uncoupled. The method allows solving the linear system on a coarser mesh thanks to the static condensation of the internal degrees of freedom (DOF) of the macroelements while maintaining the accuracy of the finer mesh. The method and algorithm have been implemented in parallel. The accuracy of the method has been tested on two- and three-dimensional examples demonstrating excellent behavior when compared to standard linear elements. The better performance and scalability of different macro finite elements against standard finite elements have been demonstrated in the simulation of a human heart and a heterogeneous two-dimensional problem with reentrant activity. Results have shown a reduction of up to four times in computational cost for the macro finite elements with respect to equivalent (same number of DOF) standard linear finite elements as well as good scalability properties.

Laser-Induced Fluorescence Measurements for Optical Single Atom Detection for Nuclear Astrophysics

NASA Astrophysics Data System (ADS)

Parzuchowski, Kristen; Singh, Jaideep; Wenzl, Jennifer; Frisbie, Dustin; Johnson, Maegan

2016-09-01

We propose a new highly selective detector to measure rare nuclear reactions relevant for nuclear astrophysics. Our primary interest is the 22Ne(α , n) 25Mg reaction, which is a primary source of neutrons for the s-process. Our proposed detector, in conjunction with a recoil separator, captures the recoil products resulting from the reaction in a cryogenically frozen thin film of solid neon. The fluorescence spectra of the captured atoms is shifted from the absorption spectra by hundreds of nanometers. This allows for the optical detection of individual fluorescence photons against a background of intense excitation light. We will describe our initial studies of laser-induced fluorescence of Yb and Mg in solid Ne. Neon is an attractive medium because it is optically transparent and provides efficient, pure, stable, & chemically inert confinement for a wide variety of atomic and molecular species. Yb is used as a test atom because of its similar atomic structure to Mg and much brighter fluorescence signal. This work is supported by funds from Michigan State University.

Capturing the essence of a metabolic network: a flux balance analysis approach.

PubMed

Murabito, Ettore; Simeonidis, Evangelos; Smallbone, Kieran; Swinton, Jonathan

2009-10-07

As genome-scale metabolic reconstructions emerge, tools to manage their size and complexity will be increasingly important. Flux balance analysis (FBA) is a constraint-based approach widely used to study the metabolic capabilities of cellular or subcellular systems. FBA problems are highly underdetermined and many different phenotypes can satisfy any set of constraints through which the metabolic system is represented. Two of the main concerns in FBA are exploring the space of solutions for a given metabolic network and finding a specific phenotype which is representative for a given task such as maximal growth rate. Here, we introduce a recursive algorithm suitable for overcoming both of these concerns. The method proposed is able to find the alternate optimal patterns of active reactions of an FBA problem and identify the minimal subnetwork able to perform a specific task as optimally as the whole. Our method represents an alternative to and an extension of other approaches conceived for exploring the space of solutions of an FBA problem. It may also be particularly helpful in defining a scaffold of reactions upon which to build up a dynamic model, when the important pathways of the system have not yet been well-defined.

Solving the competitive facility location problem considering the reactions of competitor with a hybrid algorithm including Tabu Search and exact method

NASA Astrophysics Data System (ADS)

Bagherinejad, Jafar; Niknam, Azar

2018-03-01

In this paper, a leader-follower competitive facility location problem considering the reactions of the competitors is studied. A model for locating new facilities and determining levels of quality for the facilities of the leader firm is proposed. Moreover, changes in the location and quality of existing facilities in a competitive market where a competitor offers the same goods or services are taken into account. The competitor could react by opening new facilities, closing existing ones, and adjusting the quality levels of its existing facilities. The market share, captured by each facility, depends on its distance to customer and its quality that is calculated based on the probabilistic Huff's model. Each firm aims to maximize its profit subject to constraints on quality levels and budget of setting up new facilities. This problem is formulated as a bi-level mixed integer non-linear model. The model is solved using a combination of Tabu Search with an exact method. The performance of the proposed algorithm is compared with an upper bound that is achieved by applying Karush-Kuhn-Tucker conditions. Computational results show that our algorithm finds near the upper bound solutions in a reasonable time.