Comment on: Supervisory Asymmetric Deterministic Secure Quantum Communication

NASA Astrophysics Data System (ADS)

Kao, Shih-Hung; Tsai, Chia-Wei; Hwang, Tzonelih

2012-12-01

In 2010, Xiu et al. (Optics Communications 284:2065-2069, 2011) proposed several applications based on a new secure four-site distribution scheme using χ-type entangled states. This paper points out that one of these applications, namely, supervisory asymmetric deterministic secure quantum communication, is subject to an information leakage problem, in which the receiver can extract two bits of a three-bit secret message without the supervisor's permission. An enhanced protocol is proposed to resolve this problem.

Comparison of numerical weather prediction based deterministic and probabilistic wind resource assessment methods

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

Zhang, Jie; Draxl, Caroline; Hopson, Thomas

Numerical weather prediction (NWP) models have been widely used for wind resource assessment. Model runs with higher spatial resolution are generally more accurate, yet extremely computational expensive. An alternative approach is to use data generated by a low resolution NWP model, in conjunction with statistical methods. In order to analyze the accuracy and computational efficiency of different types of NWP-based wind resource assessment methods, this paper performs a comparison of three deterministic and probabilistic NWP-based wind resource assessment methodologies: (i) a coarse resolution (0.5 degrees x 0.67 degrees) global reanalysis data set, the Modern-Era Retrospective Analysis for Research and Applicationsmore » (MERRA); (ii) an analog ensemble methodology based on the MERRA, which provides both deterministic and probabilistic predictions; and (iii) a fine resolution (2-km) NWP data set, the Wind Integration National Dataset (WIND) Toolkit, based on the Weather Research and Forecasting model. Results show that: (i) as expected, the analog ensemble and WIND Toolkit perform significantly better than MERRA confirming their ability to downscale coarse estimates; (ii) the analog ensemble provides the best estimate of the multi-year wind distribution at seven of the nine sites, while the WIND Toolkit is the best at one site; (iii) the WIND Toolkit is more accurate in estimating the distribution of hourly wind speed differences, which characterizes the wind variability, at five of the available sites, with the analog ensemble being best at the remaining four locations; and (iv) the analog ensemble computational cost is negligible, whereas the WIND Toolkit requires large computational resources. Future efforts could focus on the combination of the analog ensemble with intermediate resolution (e.g., 10-15 km) NWP estimates, to considerably reduce the computational burden, while providing accurate deterministic estimates and reliable probabilistic assessments.« less

Quantifying diffusion MRI tractography of the corticospinal tract in brain tumors with deterministic and probabilistic methods☆

PubMed Central

Bucci, Monica; Mandelli, Maria Luisa; Berman, Jeffrey I.; Amirbekian, Bagrat; Nguyen, Christopher; Berger, Mitchel S.; Henry, Roland G.

2013-01-01

Introduction Diffusion MRI tractography has been increasingly used to delineate white matter pathways in vivo for which the leading clinical application is presurgical mapping of eloquent regions. However, there is rare opportunity to quantify the accuracy or sensitivity of these approaches to delineate white matter fiber pathways in vivo due to the lack of a gold standard. Intraoperative electrical stimulation (IES) provides a gold standard for the location and existence of functional motor pathways that can be used to determine the accuracy and sensitivity of fiber tracking algorithms. In this study we used intraoperative stimulation from brain tumor patients as a gold standard to estimate the sensitivity and accuracy of diffusion tensor MRI (DTI) and q-ball models of diffusion with deterministic and probabilistic fiber tracking algorithms for delineation of motor pathways. Methods We used preoperative high angular resolution diffusion MRI (HARDI) data (55 directions, b = 2000 s/mm2) acquired in a clinically feasible time frame from 12 patients who underwent a craniotomy for resection of a cerebral glioma. The corticospinal fiber tracts were delineated with DTI and q-ball models using deterministic and probabilistic algorithms. We used cortical and white matter IES sites as a gold standard for the presence and location of functional motor pathways. Sensitivity was defined as the true positive rate of delineating fiber pathways based on cortical IES stimulation sites. For accuracy and precision of the course of the fiber tracts, we measured the distance between the subcortical stimulation sites and the tractography result. Positive predictive rate of the delineated tracts was assessed by comparison of subcortical IES motor function (upper extremity, lower extremity, face) with the connection of the tractography pathway in the motor cortex. Results We obtained 21 cortical and 8 subcortical IES sites from intraoperative mapping of motor pathways. Probabilistic q-ball had the best sensitivity (79%) as determined from cortical IES compared to deterministic q-ball (50%), probabilistic DTI (36%), and deterministic DTI (10%). The sensitivity using the q-ball algorithm (65%) was significantly higher than using DTI (23%) (p < 0.001) and the probabilistic algorithms (58%) were more sensitive than deterministic approaches (30%) (p = 0.003). Probabilistic q-ball fiber tracks had the smallest offset to the subcortical stimulation sites. The offsets between diffusion fiber tracks and subcortical IES sites were increased significantly for those cases where the diffusion fiber tracks were visibly thinner than expected. There was perfect concordance between the subcortical IES function (e.g. hand stimulation) and the cortical connection of the nearest diffusion fiber track (e.g. upper extremity cortex). Discussion This study highlights the tremendous utility of intraoperative stimulation sites to provide a gold standard from which to evaluate diffusion MRI fiber tracking methods and has provided an object standard for evaluation of different diffusion models and approaches to fiber tracking. The probabilistic q-ball fiber tractography was significantly better than DTI methods in terms of sensitivity and accuracy of the course through the white matter. The commonly used DTI fiber tracking approach was shown to have very poor sensitivity (as low as 10% for deterministic DTI fiber tracking) for delineation of the lateral aspects of the corticospinal tract in our study. Effects of the tumor/edema resulted in significantly larger offsets between the subcortical IES and the preoperative fiber tracks. The provided data show that probabilistic HARDI tractography is the most objective and reproducible analysis but given the small sample and number of stimulation points a generalization about our results should be given with caution. Indeed our results inform the capabilities of preoperative diffusion fiber tracking and indicate that such data should be used carefully when making pre-surgical and intra-operative management decisions. PMID:24273719

Ant Lion Optimization algorithm for kidney exchanges.

PubMed

Hamouda, Eslam; El-Metwally, Sara; Tarek, Mayada

2018-01-01

The kidney exchange programs bring new insights in the field of organ transplantation. They make the previously not allowed surgery of incompatible patient-donor pairs easier to be performed on a large scale. Mathematically, the kidney exchange is an optimization problem for the number of possible exchanges among the incompatible pairs in a given pool. Also, the optimization modeling should consider the expected quality-adjusted life of transplant candidates and the shortage of computational and operational hospital resources. In this article, we introduce a bio-inspired stochastic-based Ant Lion Optimization, ALO, algorithm to the kidney exchange space to maximize the number of feasible cycles and chains among the pool pairs. Ant Lion Optimizer-based program achieves comparable kidney exchange results to the deterministic-based approaches like integer programming. Also, ALO outperforms other stochastic-based methods such as Genetic Algorithm in terms of the efficient usage of computational resources and the quantity of resulting exchanges. Ant Lion Optimization algorithm can be adopted easily for on-line exchanges and the integration of weights for hard-to-match patients, which will improve the future decisions of kidney exchange programs. A reference implementation for ALO algorithm for kidney exchanges is written in MATLAB and is GPL licensed. It is available as free open-source software from: https://github.com/SaraEl-Metwally/ALO_algorithm_for_Kidney_Exchanges.

New latent heat storage system with nanoparticles for thermal management of electric vehicles

NASA Astrophysics Data System (ADS)

Javani, N.; Dincer, I.; Naterer, G. F.

2014-12-01

In this paper, a new passive thermal management system for electric vehicles is developed. A latent heat thermal energy storage with nanoparticles is designed and optimized. A genetic algorithm method is employed to minimize the length of the heat exchanger tubes. The results show that even the optimum length of a shell and tube heat exchanger becomes too large to be employed in a vehicle. This is mainly due to the very low thermal conductivity of phase change material (PCM) which fills the shell side of the heat exchanger. A carbon nanotube (CNT) and PCM mixture is then studied where the probability of nanotubes in a series configuration is defined as a deterministic design parameter. Various heat transfer rates, ranging from 300 W to 600 W, are utilized to optimize battery cooling options in the heat exchanger. The optimization results show that smaller tube diameters minimize the heat exchanger length. Furthermore, finned tubes lead to a higher heat exchanger length due to more heat transfer resistance. By increasing the CNT concentration, the optimum length of the heat exchanger decreases and makes the improved thermal management system a more efficient and competitive with air and liquid thermal management systems.

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead-based applications

NASA Astrophysics Data System (ADS)

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-04-01

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead-encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin-biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules.

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead-based applications.

PubMed

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-04-10

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead-encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin-biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules.

Deterministic bead-in-droplet ejection utilizing an integrated plug-in bead dispenser for single bead–based applications

PubMed Central

Kim, Hojin; Choi, In Ho; Lee, Sanghyun; Won, Dong-Joon; Oh, Yong Suk; Kwon, Donghoon; Sung, Hyung Jin; Jeon, Sangmin; Kim, Joonwon

2017-01-01

This paper presents a deterministic bead-in-droplet ejection (BIDE) technique that regulates the precise distribution of microbeads in an ejected droplet. The deterministic BIDE was realized through the effective integration of a microfluidic single-particle handling technique with a liquid dispensing system. The integrated bead dispenser facilitates the transfer of the desired number of beads into a dispensing volume and the on-demand ejection of bead-encapsulated droplets. Single bead–encapsulated droplets were ejected every 3 s without any failure. Multiple-bead dispensing with deterministic control of the number of beads was demonstrated to emphasize the originality and quality of the proposed dispensing technique. The dispenser was mounted using a plug-socket type connection, and the dispensing process was completely automated using a programmed sequence without any microscopic observation. To demonstrate a potential application of the technique, bead-based streptavidin–biotin binding assay in an evaporating droplet was conducted using ultralow numbers of beads. The results evidenced the number of beads in the droplet crucially influences the reliability of the assay. Therefore, the proposed deterministic bead-in-droplet technology can be utilized to deliver desired beads onto a reaction site, particularly to reliably and efficiently enrich and detect target biomolecules. PMID:28393911

Estimation for time-changed self-similar stochastic processes

NASA Astrophysics Data System (ADS)

Arroum, W.; Jones, O. D.

2005-12-01

We consider processes of the form X(t) = X ~(θ(t)) where X ~ is a self-similar process with stationary increments and θ is a deterministic subordinator with a periodic activity function a = θ'> 0. Such processes have been proposed as models for high-frequency financial data, such as currency exchange rates, where there are known to be daily and weekly periodic fluctuations in the volatility, captured here by the periodic activity function. We review an existing estimator for the activity function then propose three new methods for estimating it and present some experimental studies of their performance. We finish with an application to some foreign exchange and FTSE100 futures data.

Immersion freezing of supermicron mineral dust particles: freezing results, testing different schemes for describing ice nucleation, and ice nucleation active site densities.

PubMed

Wheeler, M J; Mason, R H; Steunenberg, K; Wagstaff, M; Chou, C; Bertram, A K

2015-05-14

Ice nucleation on mineral dust particles is known to be an important process in the atmosphere. To accurately implement ice nucleation on mineral dust particles in atmospheric simulations, a suitable theory or scheme is desirable to describe laboratory freezing data in atmospheric models. In the following, we investigated ice nucleation by supermicron mineral dust particles [kaolinite and Arizona Test Dust (ATD)] in the immersion mode. The median freezing temperature for ATD was measured to be approximately -30 °C compared with approximately -36 °C for kaolinite. The freezing results were then used to test four different schemes previously used to describe ice nucleation in atmospheric models. In terms of ability to fit the data (quantified by calculating the reduced chi-squared values), the following order was found for ATD (from best to worst): active site, pdf-α, deterministic, single-α. For kaolinite, the following order was found (from best to worst): active site, deterministic, pdf-α, single-α. The variation in the predicted median freezing temperature per decade change in the cooling rate for each of the schemes was also compared with experimental results from other studies. The deterministic model predicts the median freezing temperature to be independent of cooling rate, while experimental results show a weak dependence on cooling rate. The single-α, pdf-α, and active site schemes all agree with the experimental results within roughly a factor of 2. On the basis of our results and previous results where different schemes were tested, the active site scheme is recommended for describing the freezing of ATD and kaolinite particles. We also used our ice nucleation results to determine the ice nucleation active site (INAS) density for the supermicron dust particles tested. Using the data, we show that the INAS densities of supermicron kaolinite and ATD particles studied here are smaller than the INAS densities of submicron kaolinite and ATD particles previously reported in the literature.

Deterministic entanglement distillation for secure double-server blind quantum computation.

PubMed

Sheng, Yu-Bo; Zhou, Lan

2015-01-15

Blind quantum computation (BQC) provides an efficient method for the client who does not have enough sophisticated technology and knowledge to perform universal quantum computation. The single-server BQC protocol requires the client to have some minimum quantum ability, while the double-server BQC protocol makes the client's device completely classical, resorting to the pure and clean Bell state shared by two servers. Here, we provide a deterministic entanglement distillation protocol in a practical noisy environment for the double-server BQC protocol. This protocol can get the pure maximally entangled Bell state. The success probability can reach 100% in principle. The distilled maximally entangled states can be remaind to perform the BQC protocol subsequently. The parties who perform the distillation protocol do not need to exchange the classical information and they learn nothing from the client. It makes this protocol unconditionally secure and suitable for the future BQC protocol.

Deterministic entanglement distillation for secure double-server blind quantum computation

PubMed Central

Sheng, Yu-Bo; Zhou, Lan

2015-01-01

Blind quantum computation (BQC) provides an efficient method for the client who does not have enough sophisticated technology and knowledge to perform universal quantum computation. The single-server BQC protocol requires the client to have some minimum quantum ability, while the double-server BQC protocol makes the client's device completely classical, resorting to the pure and clean Bell state shared by two servers. Here, we provide a deterministic entanglement distillation protocol in a practical noisy environment for the double-server BQC protocol. This protocol can get the pure maximally entangled Bell state. The success probability can reach 100% in principle. The distilled maximally entangled states can be remaind to perform the BQC protocol subsequently. The parties who perform the distillation protocol do not need to exchange the classical information and they learn nothing from the client. It makes this protocol unconditionally secure and suitable for the future BQC protocol. PMID:25588565

Synchronization of random bit generators based on coupled chaotic lasers and application to cryptography.

PubMed

Kanter, Ido; Butkovski, Maria; Peleg, Yitzhak; Zigzag, Meital; Aviad, Yaara; Reidler, Igor; Rosenbluh, Michael; Kinzel, Wolfgang

2010-08-16

Random bit generators (RBGs) constitute an important tool in cryptography, stochastic simulations and secure communications. The later in particular has some difficult requirements: high generation rate of unpredictable bit strings and secure key-exchange protocols over public channels. Deterministic algorithms generate pseudo-random number sequences at high rates, however, their unpredictability is limited by the very nature of their deterministic origin. Recently, physical RBGs based on chaotic semiconductor lasers were shown to exceed Gbit/s rates. Whether secure synchronization of two high rate physical RBGs is possible remains an open question. Here we propose a method, whereby two fast RBGs based on mutually coupled chaotic lasers, are synchronized. Using information theoretic analysis we demonstrate security against a powerful computational eavesdropper, capable of noiseless amplification, where all parameters are publicly known. The method is also extended to secure synchronization of a small network of three RBGs.

Tracing of paleo-shear zones by self-potential data inversion: case studies from the KTB, Rittsteig, and Grossensees graphite-bearing fault planes

NASA Astrophysics Data System (ADS)

Mehanee, Salah A.

2015-01-01

This paper describes a new method for tracing paleo-shear zones of the continental crust by self-potential (SP) data inversion. The method falls within the deterministic inversion framework, and it is exclusively applicable for the interpretation of the SP anomalies measured along a profile over sheet-type structures such as conductive thin films of interconnected graphite precipitations formed on shear planes. The inverse method fits a residual SP anomaly by a single thin sheet and recovers the characteristic parameters (depth to the top h, extension in depth a, amplitude coefficient k, and amount and direction of dip θ) of the sheet. This method minimizes an objective functional in the space of the logarithmed and non-logarithmed model parameters (log( h), log( a), log( k), and θ) successively by the steepest descent (SD) and Gauss-Newton (GN) techniques in order to essentially maintain the stability and convergence of this inverse method. Prior to applying the method to real data, its accuracy, convergence, and stability are successfully verified on numerical examples with and without noise. The method is then applied to SP profiles from the German Continental Deep Drilling Program (Kontinentales Tiefbohrprogramm der Bundesrepublik Deutschla - KTB), Rittsteig, and Grossensees sites in Germany for tracing paleo-shear planes coated with graphitic deposits. The comparisons of geologic sections constructed in this paper (based on the proposed deterministic approach) against the existing published interpretations (obtained based on trial-and-error modeling) for the SP data of the KTB and Rittsteig sites have revealed that the deterministic approach suggests some new details that are of some geological significance. The findings of the proposed inverse scheme are supported by available drilling and other geophysical data. Furthermore, the real SP data of the Grossensees site have been interpreted (apparently for the first time ever) by the deterministic inverse scheme from which interpretive geologic cross sections are suggested. The computational efficiency, analysis of the numerical examples investigated, and comparisons of the real data inverted here have demonstrated that the developed deterministic approach is advantageous to the existing interpretation methods, and it is suitable for meaningful interpretation of SP data acquired elsewhere over graphitic occurrences on fault planes.

78 FR 76187 - 30-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-16

...: Exchange Programs Alumni Web Site Registration ACTION: Notice of request for public comment and submission... Information Collection: Exchange Programs Alumni Web site Registration. OMB Control Number: 1405-0192. Type of... proposed collection: The International Exchange Alumni Web site requires information to process users...

Deterministic strain-induced arrays of quantum emitters in a two-dimensional semiconductor

PubMed Central

Branny, Artur; Kumar, Santosh; Proux, Raphaël; Gerardot, Brian D

2017-01-01

An outstanding challenge in quantum photonics is scalability, which requires positioning of single quantum emitters in a deterministic fashion. Site positioning progress has been made in established platforms including defects in diamond and self-assembled quantum dots, albeit often with compromised coherence and optical quality. The emergence of single quantum emitters in layered transition metal dichalcogenide semiconductors offers new opportunities to construct a scalable quantum architecture. Here, using nanoscale strain engineering, we deterministically achieve a two-dimensional lattice of quantum emitters in an atomically thin semiconductor. We create point-like strain perturbations in mono- and bi-layer WSe2 which locally modify the band-gap, leading to efficient funnelling of excitons towards isolated strain-tuned quantum emitters that exhibit high-purity single photon emission. We achieve near unity emitter creation probability and a mean positioning accuracy of 120±32 nm, which may be improved with further optimization of the nanopillar dimensions. PMID:28530219

Field-free deterministic ultrafast creation of magnetic skyrmions by spin-orbit torques

NASA Astrophysics Data System (ADS)

Büttner, Felix; Lemesh, Ivan; Schneider, Michael; Pfau, Bastian; Günther, Christian M.; Hessing, Piet; Geilhufe, Jan; Caretta, Lucas; Engel, Dieter; Krüger, Benjamin; Viefhaus, Jens; Eisebitt, Stefan; Beach, Geoffrey S. D.

2017-11-01

Magnetic skyrmions are stabilized by a combination of external magnetic fields, stray field energies, higher-order exchange interactions and the Dzyaloshinskii-Moriya interaction (DMI). The last favours homochiral skyrmions, whose motion is driven by spin-orbit torques and is deterministic, which makes systems with a large DMI relevant for applications. Asymmetric multilayers of non-magnetic heavy metals with strong spin-orbit interactions and transition-metal ferromagnetic layers provide a large and tunable DMI. Also, the non-magnetic heavy metal layer can inject a vertical spin current with transverse spin polarization into the ferromagnetic layer via the spin Hall effect. This leads to torques that can be used to switch the magnetization completely in out-of-plane magnetized ferromagnetic elements, but the switching is deterministic only in the presence of a symmetry-breaking in-plane field. Although spin-orbit torques led to domain nucleation in continuous films and to stochastic nucleation of skyrmions in magnetic tracks, no practical means to create individual skyrmions controllably in an integrated device design at a selected position has been reported yet. Here we demonstrate that sub-nanosecond spin-orbit torque pulses can generate single skyrmions at custom-defined positions in a magnetic racetrack deterministically using the same current path as used for the shifting operation. The effect of the DMI implies that no external in-plane magnetic fields are needed for this aim. This implementation exploits a defect, such as a constriction in the magnetic track, that can serve as a skyrmion generator. The concept is applicable to any track geometry, including three-dimensional designs.

Elliptical quantum dots as on-demand single photons sources with deterministic polarization states

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

Teng, Chu-Hsiang; Demory, Brandon; Ku, Pei-Cheng, E-mail: peicheng@umich.edu

In quantum information, control of the single photon's polarization is essential. Here, we demonstrate single photon generation in a pre-programmed and deterministic polarization state, on a chip-scale platform, utilizing site-controlled elliptical quantum dots (QDs) synthesized by a top-down approach. The polarization from the QD emission is found to be linear with a high degree of linear polarization and parallel to the long axis of the ellipse. Single photon emission with orthogonal polarizations is achieved, and the dependence of the degree of linear polarization on the QD geometry is analyzed.

Seismic stability of the survey areas of potential sites for the deep geological repository of the spent nuclear fuel

NASA Astrophysics Data System (ADS)

Kaláb, Zdeněk; Šílený, Jan; Lednická, Markéta

2017-07-01

This paper deals with the seismic stability of the survey areas of potential sites for the deep geological repository of the spent nuclear fuel in the Czech Republic. The basic source of data for historical earthquakes up to 1990 was the seismic website [1-]. The most intense earthquake described occurred on September 15, 1590 in the Niederroesterreich region (Austria) in the historical period; its reported intensity is Io = 8-9. The source of the contemporary seismic data for the period since 1991 to the end of 2014 was the website [11]. It may be stated based on the databases and literature review that in the period from 1900, no earthquake exceeding magnitude 5.1 originated in the territory of the Czech Republic. In order to evaluate seismicity and to assess the impact of seismic effects at depths of hypothetical deep geological repository for the next time period, the neo-deterministic method was selected as an extension of the probabilistic method. Each one out of the seven survey areas were assessed by the neo-deterministic evaluation of the seismic wave-field excited by selected individual events and determining the maximum loading. Results of seismological databases studies and neo-deterministic analysis of Čihadlo locality are presented.

How to Stop Disagreeing and Start Cooperatingin the Presence of Asymmetric Packet Loss.

PubMed

Morales-Ponce, Oscar; Schiller, Elad M; Falcone, Paolo

2018-04-22

We consider the design of a disagreement correction protocol in multi-vehicle systems. Vehicles broadcast in real-time vital information such as position, direction, speed, acceleration, intention, etc. This information is then used to identify the risks and adapt their trajectory to maintain the highest performance without compromising the safety. To minimize the risk due to the use of inconsistent information, all cooperating vehicles must agree whether to use the exchanged information to operate in a cooperative mode or use the only local information to operate in an autonomous mode. However, since wireless communications are prone to failures, it is impossible to deterministically reach an agreement. Therefore, any protocol will exhibit necessary disagreement periods. In this paper, we investigate whether vehicles can still cooperate despite communication failures even in the scenario where communication is suddenly not available. We present a deterministic protocol that allows all participants to either operate a cooperative mode when vehicles can exchange all the information in a timely manner or operate in autonomous mode when messages are lost. We show formally that the disagreement time is bounded by the time that the communication channel requires to deliver messages and validate our protocol using NS-3 simulations. We explain how the proposed solution can be used in vehicular platooning to attain high performance and still guarantee high safety standards despite communication failures.

How to Stop Disagreeing and Start Cooperatingin the Presence of Asymmetric Packet Loss

PubMed Central

2018-01-01

We consider the design of a disagreement correction protocol in multi-vehicle systems. Vehicles broadcast in real-time vital information such as position, direction, speed, acceleration, intention, etc. This information is then used to identify the risks and adapt their trajectory to maintain the highest performance without compromising the safety. To minimize the risk due to the use of inconsistent information, all cooperating vehicles must agree whether to use the exchanged information to operate in a cooperative mode or use the only local information to operate in an autonomous mode. However, since wireless communications are prone to failures, it is impossible to deterministically reach an agreement. Therefore, any protocol will exhibit necessary disagreement periods. In this paper, we investigate whether vehicles can still cooperate despite communication failures even in the scenario where communication is suddenly not available. We present a deterministic protocol that allows all participants to either operate a cooperative mode when vehicles can exchange all the information in a timely manner or operate in autonomous mode when messages are lost. We show formally that the disagreement time is bounded by the time that the communication channel requires to deliver messages and validate our protocol using NS-3 simulations. We explain how the proposed solution can be used in vehicular platooning to attain high performance and still guarantee high safety standards despite communication failures. PMID:29690572

Tularosa Basin Play Fairway Analysis

DOE Data Explorer

Adam Brandt

2015-11-15

This submission contains several shapefiles used for a deterministic PFA, as well as a heat composite risk segment with union overlay, and training sites used for weights of evidence. More detailed metadata can be found in the specific file.

Application of deterministic deconvolution of ground-penetrating radar data in a study of carbonate strata

USGS Publications Warehouse

Xia, J.; Franseen, E.K.; Miller, R.D.; Weis, T.V.

2004-01-01

We successfully applied deterministic deconvolution to real ground-penetrating radar (GPR) data by using the source wavelet that was generated in and transmitted through air as the operator. The GPR data were collected with 400-MHz antennas on a bench adjacent to a cleanly exposed quarry face. The quarry site is characterized by horizontally bedded carbonate strata with shale partings. In order to provide groundtruth for this deconvolution approach, 23 conductive rods were drilled into the quarry face at key locations. The steel rods provided critical information for: (1) correlation between reflections on GPR data and geologic features exposed in the quarry face, (2) GPR resolution limits, (3) accuracy of velocities calculated from common midpoint data and (4) identifying any multiples. Comparing the results of deconvolved data with non-deconvolved data demonstrates the effectiveness of deterministic deconvolution in low dielectric-loss media for increased accuracy of velocity models (improved at least 10-15% in our study after deterministic deconvolution), increased vertical and horizontal resolution of specific geologic features and more accurate representation of geologic features as confirmed from detailed study of the adjacent quarry wall. ?? 2004 Elsevier B.V. All rights reserved.

Successional dynamics in Neotropical forests are as uncertain as they are predictable

PubMed Central

Norden, Natalia; Angarita, Héctor A.; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A.; Vandermeer, John; Williamson, G. Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L.

2015-01-01

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes—stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration. PMID:26080411

Successional dynamics in Neotropical forests are as uncertain as they are predictable.

PubMed

Norden, Natalia; Angarita, Héctor A; Bongers, Frans; Martínez-Ramos, Miguel; Granzow-de la Cerda, Iñigo; van Breugel, Michiel; Lebrija-Trejos, Edwin; Meave, Jorge A; Vandermeer, John; Williamson, G Bruce; Finegan, Bryan; Mesquita, Rita; Chazdon, Robin L

2015-06-30

Although forest succession has traditionally been approached as a deterministic process, successional trajectories of vegetation change vary widely, even among nearby stands with similar environmental conditions and disturbance histories. Here, we provide the first attempt, to our knowledge, to quantify predictability and uncertainty during succession based on the most extensive long-term datasets ever assembled for Neotropical forests. We develop a novel approach that integrates deterministic and stochastic components into different candidate models describing the dynamical interactions among three widely used and interrelated forest attributes--stem density, basal area, and species density. Within each of the seven study sites, successional trajectories were highly idiosyncratic, even when controlling for prior land use, environment, and initial conditions in these attributes. Plot factors were far more important than stand age in explaining successional trajectories. For each site, the best-fit model was able to capture the complete set of time series in certain attributes only when both the deterministic and stochastic components were set to similar magnitudes. Surprisingly, predictability of stem density, basal area, and species density did not show consistent trends across attributes, study sites, or land use history, and was independent of plot size and time series length. The model developed here represents the best approach, to date, for characterizing autogenic successional dynamics and demonstrates the low predictability of successional trajectories. These high levels of uncertainty suggest that the impacts of allogenic factors on rates of change during tropical forest succession are far more pervasive than previously thought, challenging the way ecologists view and investigate forest regeneration.

Seismic hazard study for selected sites in New Mexico and Nevada

NASA Astrophysics Data System (ADS)

Johnston, J. C.

1983-12-01

Seismic hazard evaluations were conducted for specific sites in New Mexico and Nevada. For New Mexico, a model of seismicity was developed from historical accounts of medium to large shocks and the current microactivity record from local networks. Ninety percent confidence levels at Albuquerque and Roswell were computed to be 56 gals for a 10-year period and 77 gals for a 20-year period. Values of ground motion for Clovis were below these values. Peak velocity and displacement were also computed for each site. Deterministic spectra based on the estimated maximum credible earthquake for the zones which the sites occupy were also computed. For the sites in Nevada, the regionalizations used in Battis (1982) for the uniform seismicity model were slightly modified. For 10- and 20-year time periods, peak acceleration values for Indian Springs were computed to be 94 gals and 123 gals and for Hawthorne 206 gals and 268 gals. Deterministic spectra were also computed. The input parameters were well determined for the analysis for the Nevada sites because of the abundance of data. The values computed for New Mexico, however, are likely upper limits. As more data are collected from the area of the Rio Grande rift zone, the pattern of seismicity will become better understood. At this time a more detailed, and thus more accurate, model may emerge.

Deterministic Factors Overwhelm Stochastic Environmental Fluctuations as Drivers of Jellyfish Outbreaks.

PubMed

Benedetti-Cecchi, Lisandro; Canepa, Antonio; Fuentes, Veronica; Tamburello, Laura; Purcell, Jennifer E; Piraino, Stefano; Roberts, Jason; Boero, Ferdinando; Halpin, Patrick

2015-01-01

Jellyfish outbreaks are increasingly viewed as a deterministic response to escalating levels of environmental degradation and climate extremes. However, a comprehensive understanding of the influence of deterministic drivers and stochastic environmental variations favouring population renewal processes has remained elusive. This study quantifies the deterministic and stochastic components of environmental change that lead to outbreaks of the jellyfish Pelagia noctiluca in the Mediterranen Sea. Using data of jellyfish abundance collected at 241 sites along the Catalan coast from 2007 to 2010 we: (1) tested hypotheses about the influence of time-varying and spatial predictors of jellyfish outbreaks; (2) evaluated the relative importance of stochastic vs. deterministic forcing of outbreaks through the environmental bootstrap method; and (3) quantified return times of extreme events. Outbreaks were common in May and June and less likely in other summer months, which resulted in a negative relationship between outbreaks and SST. Cross- and along-shore advection by geostrophic flow were important concentrating forces of jellyfish, but most outbreaks occurred in the proximity of two canyons in the northern part of the study area. This result supported the recent hypothesis that canyons can funnel P. noctiluca blooms towards shore during upwelling. This can be a general, yet unappreciated mechanism leading to outbreaks of holoplanktonic jellyfish species. The environmental bootstrap indicated that stochastic environmental fluctuations have negligible effects on return times of outbreaks. Our analysis emphasized the importance of deterministic processes leading to jellyfish outbreaks compared to the stochastic component of environmental variation. A better understanding of how environmental drivers affect demographic and population processes in jellyfish species will increase the ability to anticipate jellyfish outbreaks in the future.

Microcanonical model for interface formation

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

Rucklidge, A.; Zaleski, S.

1988-04-01

We describe a new cellular automaton model which allows us to simulate separation of phases. The model is an extension of existing cellular automata for the Ising model, such as Q2R. It conserves particle number and presents the qualitative features of spinodal decomposition. The dynamics is deterministic and does not require random number generators. The spins exchange energy with small local reservoirs or demons. The rate of relaxation to equilibrium is investigated, and the results are compared to the Lifshitz-Slyozov theory.

Deterministic radiative coupling of two semiconductor quantum dots to the optical mode of a photonic crystal nanocavity.

PubMed

Calic, M; Jarlov, C; Gallo, P; Dwir, B; Rudra, A; Kapon, E

2017-06-22

A system of two site-controlled semiconductor quantum dots (QDs) is deterministically integrated with a photonic crystal membrane nano-cavity. The two QDs are identified via their reproducible emission spectral features, and their coupling to the fundamental cavity mode is established by emission co-polarization and cavity feeding features. A theoretical model accounting for phonon interaction and pure dephasing reproduces the observed results and permits extraction of the light-matter coupling constant for this system. The demonstrated approach offers a platform for scaling up the integration of QD systems and nano-photonic elements for integrated quantum photonics applications.

Ergodicity of Truncated Stochastic Navier Stokes with Deterministic Forcing and Dispersion

NASA Astrophysics Data System (ADS)

Majda, Andrew J.; Tong, Xin T.

2016-10-01

Turbulence in idealized geophysical flows is a very rich and important topic. The anisotropic effects of explicit deterministic forcing, dispersive effects from rotation due to the β -plane and F-plane, and topography together with random forcing all combine to produce a remarkable number of realistic phenomena. These effects have been studied through careful numerical experiments in the truncated geophysical models. These important results include transitions between coherent jets and vortices, and direct and inverse turbulence cascades as parameters are varied, and it is a contemporary challenge to explain these diverse statistical predictions. Here we contribute to these issues by proving with full mathematical rigor that for any values of the deterministic forcing, the β - and F-plane effects and topography, with minimal stochastic forcing, there is geometric ergodicity for any finite Galerkin truncation. This means that there is a unique smooth invariant measure which attracts all statistical initial data at an exponential rate. In particular, this rigorous statistical theory guarantees that there are no bifurcations to multiple stable and unstable statistical steady states as geophysical parameters are varied in contrast to claims in the applied literature. The proof utilizes a new statistical Lyapunov function to account for enstrophy exchanges between the statistical mean and the variance fluctuations due to the deterministic forcing. It also requires careful proofs of hypoellipticity with geophysical effects and uses geometric control theory to establish reachability. To illustrate the necessity of these conditions, a two-dimensional example is developed which has the square of the Euclidean norm as the Lyapunov function and is hypoelliptic with nonzero noise forcing, yet fails to be reachable or ergodic.

A robust multi-objective global supplier selection model under currency fluctuation and price discount

NASA Astrophysics Data System (ADS)

Zarindast, Atousa; Seyed Hosseini, Seyed Mohamad; Pishvaee, Mir Saman

2017-06-01

Robust supplier selection problem, in a scenario-based approach has been proposed, when the demand and exchange rates are subject to uncertainties. First, a deterministic multi-objective mixed integer linear programming is developed; then, the robust counterpart of the proposed mixed integer linear programming is presented using the recent extension in robust optimization theory. We discuss decision variables, respectively, by a two-stage stochastic planning model, a robust stochastic optimization planning model which integrates worst case scenario in modeling approach and finally by equivalent deterministic planning model. The experimental study is carried out to compare the performances of the three models. Robust model resulted in remarkable cost saving and it illustrated that to cope with such uncertainties, we should consider them in advance in our planning. In our case study different supplier were selected due to this uncertainties and since supplier selection is a strategic decision, it is crucial to consider these uncertainties in planning approach.

Efficient analysis of stochastic gene dynamics in the non-adiabatic regime using piecewise deterministic Markov processes

PubMed Central

2018-01-01

Single-cell experiments show that gene expression is stochastic and bursty, a feature that can emerge from slow switching between promoter states with different activities. In addition to slow chromatin and/or DNA looping dynamics, one source of long-lived promoter states is the slow binding and unbinding kinetics of transcription factors to promoters, i.e. the non-adiabatic binding regime. Here, we introduce a simple analytical framework, known as a piecewise deterministic Markov process (PDMP), that accurately describes the stochastic dynamics of gene expression in the non-adiabatic regime. We illustrate the utility of the PDMP on a non-trivial dynamical system by analysing the properties of a titration-based oscillator in the non-adiabatic limit. We first show how to transform the underlying chemical master equation into a PDMP where the slow transitions between promoter states are stochastic, but whose rates depend upon the faster deterministic dynamics of the transcription factors regulated by these promoters. We show that the PDMP accurately describes the observed periods of stochastic cycles in activator and repressor-based titration oscillators. We then generalize our PDMP analysis to more complicated versions of titration-based oscillators to explain how multiple binding sites lengthen the period and improve coherence. Last, we show how noise-induced oscillation previously observed in a titration-based oscillator arises from non-adiabatic and discrete binding events at the promoter site. PMID:29386401

Deterministic Seismic Hazard Assessment of Center-East IRAN (55.5-58.5˚ E, 29-31˚ N)

NASA Astrophysics Data System (ADS)

Askari, M.; Ney, Beh

2009-04-01

Deterministic Seismic Hazard Assessment of Center-East IRAN (55.5-58.5˚E, 29-31˚N) Mina Askari, Behnoosh Neyestani Students of Science and Research University,Iran. Deterministic seismic hazard assessment has been performed in Center-East IRAN, including Kerman and adjacent regions of 100km is selected. A catalogue of earthquakes in the region, including historical earthquakes and instrumental earthquakes is provided. A total of 25 potential seismic source zones in the region delineated as area sources for seismic hazard assessment based on geological, seismological and geophysical information, then minimum distance for every seismic sources until site (Kerman) and maximum magnitude for each source have been determined, eventually using the N. A. ABRAHAMSON and J. J. LITEHISER '1989 attenuation relationship, maximum acceleration is estimated to be 0.38g, that is related to the movement of blind fault with maximum magnitude of this source is Ms=5.5.

PROBABILISTIC SAFETY ASSESSMENT OF OPERATIONAL ACCIDENTS AT THE WASTE ISOLATION PILOT PLANT

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

Rucker, D.F.

2000-09-01

This report presents a probabilistic safety assessment of radioactive doses as consequences from accident scenarios to complement the deterministic assessment presented in the Waste Isolation Pilot Plant (WIPP) Safety Analysis Report (SAR). The International Council of Radiation Protection (ICRP) recommends both assessments be conducted to ensure that ''an adequate level of safety has been achieved and that no major contributors to risk are overlooked'' (ICRP 1993). To that end, the probabilistic assessment for the WIPP accident scenarios addresses the wide range of assumptions, e.g. the range of values representing the radioactive source of an accident, that could possibly have beenmore » overlooked by the SAR. Routine releases of radionuclides from the WIPP repository to the environment during the waste emplacement operations are expected to be essentially zero. In contrast, potential accidental releases from postulated accident scenarios during waste handling and emplacement could be substantial, which necessitates the need for radiological air monitoring and confinement barriers (DOE 1999). The WIPP Safety Analysis Report (SAR) calculated doses from accidental releases to the on-site (at 100 m from the source) and off-site (at the Exclusive Use Boundary and Site Boundary) public by a deterministic approach. This approach, as demonstrated in the SAR, uses single-point values of key parameters to assess the 50-year, whole-body committed effective dose equivalent (CEDE). The basic assumptions used in the SAR to formulate the CEDE are retained for this report's probabilistic assessment. However, for the probabilistic assessment, single-point parameter values were replaced with probability density functions (PDF) and were sampled over an expected range. Monte Carlo simulations were run, in which 10,000 iterations were performed by randomly selecting one value for each parameter and calculating the dose. Statistical information was then derived from the 10,000 iteration batch, which included 5%, 50%, and 95% dose likelihood, and the sensitivity of each assumption to the calculated doses. As one would intuitively expect, the doses from the probabilistic assessment for most scenarios were found to be much less than the deterministic assessment. The lower dose of the probabilistic assessment can be attributed to a ''smearing'' of values from the high and low end of the PDF spectrum of the various input parameters. The analysis also found a potential weakness in the deterministic analysis used in the SAR, a detail on drum loading was not taken into consideration. Waste emplacement operations thus far have handled drums from each shipment as a single unit, i.e. drums from each shipment are kept together. Shipments typically come from a single waste stream, and therefore the curie loading of each drum can be considered nearly identical to that of its neighbor. Calculations show that if there are large numbers of drums used in the accident scenario assessment, e.g. 28 drums in the waste hoist failure scenario (CH5), then the probabilistic dose assessment calculations will diverge from the deterministically determined doses. As it is currently calculated, the deterministic dose assessment assumes one drum loaded to the maximum allowable (80 PE-Ci), and the remaining are 10% of the maximum. The effective average of drum curie content is therefore less in the deterministic assessment than the probabilistic assessment for a large number of drums. EEG recommends that the WIPP SAR calculations be revisited and updated to include a probabilistic safety assessment.« less

Stochastic dynamics and non-equilibrium thermodynamics of a bistable chemical system: the Schlögl model revisited.

PubMed

Vellela, Melissa; Qian, Hong

2009-10-06

Schlögl's model is the canonical example of a chemical reaction system that exhibits bistability. Because the biological examples of bistability and switching behaviour are increasingly numerous, this paper presents an integrated deterministic, stochastic and thermodynamic analysis of the model. After a brief review of the deterministic and stochastic modelling frameworks, the concepts of chemical and mathematical detailed balances are discussed and non-equilibrium conditions are shown to be necessary for bistability. Thermodynamic quantities such as the flux, chemical potential and entropy production rate are defined and compared across the two models. In the bistable region, the stochastic model exhibits an exchange of the global stability between the two stable states under changes in the pump parameters and volume size. The stochastic entropy production rate shows a sharp transition that mirrors this exchange. A new hybrid model that includes continuous diffusion and discrete jumps is suggested to deal with the multiscale dynamics of the bistable system. Accurate approximations of the exponentially small eigenvalue associated with the time scale of this switching and the full time-dependent solution are calculated using Matlab. A breakdown of previously known asymptotic approximations on small volume scales is observed through comparison with these and Monte Carlo results. Finally, in the appendix section is an illustration of how the diffusion approximation of the chemical master equation can fail to represent correctly the mesoscopically interesting steady-state behaviour of the system.

75 FR 66413 - 30-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-10-28

...: Exchange Programs Alumni Web Site Registration, DS-7006 ACTION: Notice of request for public comment and... Collection The Exchange Programs Alumni Web site requires information to process users' voluntary requests for participation in the Web site. Other than contact information, which is required for website...

Fisher-Wright model with deterministic seed bank and selection.

PubMed

Koopmann, Bendix; Müller, Johannes; Tellier, Aurélien; Živković, Daniel

2017-04-01

Seed banks are common characteristics to many plant species, which allow storage of genetic diversity in the soil as dormant seeds for various periods of time. We investigate an above-ground population following a Fisher-Wright model with selection coupled with a deterministic seed bank assuming the length of the seed bank is kept constant and the number of seeds is large. To assess the combined impact of seed banks and selection on genetic diversity, we derive a general diffusion model. The applied techniques outline a path of approximating a stochastic delay differential equation by an appropriately rescaled stochastic differential equation. We compute the equilibrium solution of the site-frequency spectrum and derive the times to fixation of an allele with and without selection. Finally, it is demonstrated that seed banks enhance the effect of selection onto the site-frequency spectrum while slowing down the time until the mutation-selection equilibrium is reached. Copyright © 2016 Elsevier Inc. All rights reserved.

Colonization Habitat Controls Biomass, Composition, and Metabolic Activity of Attached Microbial Communities in the Columbia River Hyporheic Corridor

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

Stern, Noah; Ginder-Vogel, Matthew; Stegen, James C.

Hydrologic exchange plays a critical role in biogeochemical cycling within the hyporheic zone (the interface between river water and groundwater) of riverine ecosystems. Such exchange may set limits on the rates of microbial metabolism and impose deterministic selection on microbial communities that adapt to dynamically changing dissolved organic carbon (DOC) sources. This study examined the response of attached microbial communities (in situcolonized sand packs) from groundwater, hyporheic, and riverbed habitats within the Columbia River hyporheic corridor to “cross-feeding” with either groundwater, river water, or DOC-free artificial fluids. Our working hypothesis was that deterministic selection duringin situcolonization would dictate the responsemore » to cross-feeding, with communities displaying maximal biomass and respiration when supplied with their native fluid source. In contrast to expectations, the major observation was that the riverbed colonized sand had much higher biomass and respiratory activity, as well as a distinct community structure, compared with those of the hyporheic and groundwater colonized sands. 16S rRNA gene amplicon sequencing revealed a much higher proportion of certain heterotrophic taxa as well as significant numbers of eukaryotic algal chloroplasts in the riverbed colonized sand. Significant quantities of DOC were released from riverbed sediment and colonized sand, and separate experiments showed that the released DOC stimulated respiration in the groundwater and piezometer colonized sand. These results suggest that the accumulation and degradation of labile particulate organic carbon (POC) within the riverbed are likely to release DOC, which may enter the hyporheic corridor during hydrologic exchange, thereby stimulating microbial activity and imposing deterministic selective pressure on the microbial community composition. IMPORTANCEThe influence of river water-groundwater mixing on hyporheic zone microbial community structure and function is an important but poorly understood component of riverine biogeochemistry. This study employed an experimental approach to gain insight into how such mixing might be expected to influence the biomass, respiration, and composition of hyporheic zone microbial communities. Colonized sands from three different habitats (groundwater, river water, and hyporheic) were “cross-fed” with either groundwater, river water, or DOC-free artificial fluids. We expected that the colonization history would dictate the response to cross-feeding, with communities displaying maximal biomass and respiration when supplied with their native fluid source. By contrast, the major observation was that the riverbed communities had much higher biomass and respiration, as well as a distinct community structure compared with those of the hyporheic and groundwater colonized sands. These results highlight the importance of riverbed microbial metabolism in organic carbon processing in hyporheic corridors.« less

75 FR 8701 - Settlement Agreement for Recovery of Past Response Costs Colorado Bumper Exchange Site, Pueblo...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-25

... Response Costs incurred at the Site. In exchange, the Settling Party will be granted a covenant not to sue... Costs Colorado Bumper Exchange Site, Pueblo, Pueblo County, CO AGENCY: Environmental Protection Agency... proposes to compromise a claim the United States has at this Site for Past Response Costs, as those terms...

Recurrent patterns of atrial depolarization during atrial fibrillation assessed by recurrence plot quantification.

PubMed

Censi, F; Barbaro, V; Bartolini, P; Calcagnini, G; Michelucci, A; Gensini, G F; Cerutti, S

2000-01-01

The aim of this study was to determine the presence of organization of atrial activation processes during atrial fibrillation (AF) by assessing whether the activation sequences are wholly random or are governed by deterministic mechanisms. We performed both linear and nonlinear analyses based on the cross correlation function (CCF) and recurrence plot quantification (RPQ), respectively. Recurrence plots were quantified by three variables: percent recurrence (PR), percent determinism (PD), and entropy of recurrences (ER). We recorded bipolar intra-atrial electrograms in two atrial sites during chronic AF in 19 informed subjects, following two protocols. In one, both recording sites were in the right atrium; in the other protocol, one site was in the right atrium, the other one in the left atrium. We extracted 19 episodes of type I AF (Wells' classification). RPQ detected transient recurrent patterns in all the episodes, while CCF was significant only in ten episodes. Surrogate data analysis, based on a cross-phase randomization procedure, decreased PR, PD, and ER values. The detection of spatiotemporal recurrent patterns together with the surrogate data results indicate that during AF a certain degree of local organization exists, likely caused by deterministic mechanisms of activation.

A procedure to select ground-motion time histories for deterministic seismic hazard analysis from the Next Generation Attenuation (NGA) database

NASA Astrophysics Data System (ADS)

Huang, Duruo; Du, Wenqi; Zhu, Hong

2017-10-01

In performance-based seismic design, ground-motion time histories are needed for analyzing dynamic responses of nonlinear structural systems. However, the number of ground-motion data at design level is often limited. In order to analyze seismic performance of structures, ground-motion time histories need to be either selected from recorded strong-motion database or numerically simulated using stochastic approaches. In this paper, a detailed procedure to select proper acceleration time histories from the Next Generation Attenuation (NGA) database for several cities in Taiwan is presented. Target response spectra are initially determined based on a local ground-motion prediction equation under representative deterministic seismic hazard analyses. Then several suites of ground motions are selected for these cities using the Design Ground Motion Library (DGML), a recently proposed interactive ground-motion selection tool. The selected time histories are representatives of the regional seismic hazard and should be beneficial to earthquake studies when comprehensive seismic hazard assessments and site investigations are unavailable. Note that this method is also applicable to site-specific motion selections with the target spectra near the ground surface considering the site effect.

Integrated assessment of groundwater - surface water exchange in the hillslope - riparian interface of a montane catchment

NASA Astrophysics Data System (ADS)

Scheliga, Bernhard; Tetzlaff, Doerthe; Nuetzmann, Gunnar; Soulsby, Chris

2016-04-01

Groundwater-surface water dynamics play an important role in runoff generation and the hydrologic connectivity between hillslopes and streams. Here, we present findings from a suite of integrated, empirical approaches to increase our understanding of groundwater-surface water interlinkages in a 3.2 km ^ 2 experimental catchment in the Scottish Highlands. The montane catchment is mainly underlain by granite and has extensive (70%) cover of glacial drift deposits which are up to 40 m deep and form the main aquifer in the catchment. Flat valley bottom areas fringe the stream channel and are characterised by peaty soils (0.5-4 m deep) which cover about 10% of the catchment and receive drainage from upslope areas. The transition between the hillslopes and riparian zone forms a critical interface for groundwater-surface water interactions that controls both the dynamics of riparian saturation and stream flow generation. We nested observations using wells to assess the groundwater - surface water transition, LiDAR surveys to explore the influence of micro-topography on shallow groundwater efflux and riparian wells to examine the magnitude and flux rates of deeper groundwater sources. We also used electrical resistivity surveys to assess the architecture and storage properties of drift aquifers. Finally, we used isotopic tracers to differentiate recharge sources and associated residence times as well as quantifying how groundwater dynamics affect stream flow. These new data have provided a novel conceptual framework for local groundwater - surface water exchange that is informing the development of new deterministic models for the site.

Evaluating the risk of death via the hematopoietic syndrome mode for prolonged exposure of nuclear workers to radiation delivered at very low rates.

PubMed

Scott, B R; Lyzlov, A F; Osovets, S V

1998-05-01

During a Phase-I effort, studies were planned to evaluate deterministic (nonstochastic) effects of chronic exposure of nuclear workers at the Mayak atomic complex in the former Soviet Union to relatively high levels (> 0.25 Gy) of ionizing radiation. The Mayak complex has been used, since the late 1940's, to produce plutonium for nuclear weapons. Workers at Site A of the complex were involved in plutonium breeding using nuclear reactors, and some were exposed to relatively large doses of gamma rays plus relatively small neutron doses. The Weibull normalized-dose model, which has been set up to evaluate the risk of specific deterministic effects of combined, continuous exposure of humans to alpha, beta, and gamma radiations, is here adapted for chronic exposure to gamma rays and neutrons during repeated 6-h work shifts--as occurred for some nuclear workers at Site A. Using the adapted model, key conclusions were reached that will facilitate a Phase-II study of deterministic effects among Mayak workers. These conclusions include the following: (1) neutron doses may be more important for Mayak workers than for Japanese A-bomb victims in Hiroshima and can be accounted for using an adjusted dose (which accounts for neutron relative biological effectiveness); (2) to account for dose-rate effects, normalized dose X (a dimensionless fraction of an LD50 or ED50) can be evaluated in terms of an adjusted dose; (3) nonlinear dose-response curves for the risk of death via the hematopoietic mode can be converted to linear dose-response curves (for low levels of risk) using a newly proposed dimensionless dose, D = X(V), in units of Oklad (where D is pronounced "deh"), and V is the shape parameter in the Weibull model; (4) for X < or = Xo, where Xo is the threshold normalized dose, D = 0; (5) unlike absorbed dose, the dose D can be averaged over different Mayak workers in order to calculate the average risk of death via the hematopoietic mode for the population exposed at Site A; and (6) the expected cases of death via the hematopoietic syndrome mode for Mayak workers chronically exposed during work shifts at Site A to gamma rays and neutrons can be predicted using ln(2)B M[D]; where B (pronounced "beh") is the number of workers at risk (criticality accident victims excluded); and M[D] is the average (mean) value of D (averaged over the worker population at risk, for Site A, for the time period considered). These results can be used to facilitate a Phase II study of deterministic radiation effects among Mayak workers chronically exposed to gamma rays and neutrons.

A β-Ta system for current induced magnetic switching in the absence of external magnetic field

NASA Astrophysics Data System (ADS)

Chen, Wenzhe; Qian, Lijuan; Xiao, Gang

2018-05-01

Magnetic switching via Giant Spin Hall Effect (GSHE) has received great interest for its role in developing future spintronics logic or memory devices. In this work, a new material system (i.e. a transition metal sandwiched between two ferromagnetic layers) with interlayer exchange coupling is introduced to realize the deterministic field-free perpendicular magnetic switching. This system uses β-Ta, as the GSHE agent to generate a spin current and as the interlayer exchange coupling medium to generate an internal field. The critical switching current density at zero field is on the order of 106 A/cm2 due to the large spin Hall angle of β-Ta. The internal field, along with switching efficiency, depends strongly on the orthogonal magnetization states of two ferromagnetic coupling layers in this system.

Bidirectional Controlled Joint Remote State Preparation via a Seven-Qubit Entangled State

NASA Astrophysics Data System (ADS)

Wang, Xiao-yu; Mo, Zhi-wen

2017-04-01

A new protocol for implementing five-party bidirectional controlled joint remote state preparation is proposed by using a seven-qubit entangled state as the quantum channel. It can be shown that two distant senders can simultaneously and deterministically exchange their states with the other senders under the control of the supervisor, and it cannot be succeed without permission of the controller. Only pauli operation and single-qubit measurement are used in our scheme, so the scheme with five-party is feasible within the reach of current technologies.

Efficient analysis of stochastic gene dynamics in the non-adiabatic regime using piecewise deterministic Markov processes

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

Lin, Yen Ting; Buchler, Nicolas E.

Single-cell experiments show that gene expression is stochastic and bursty, a feature that can emerge from slow switching between promoter states with different activities. In addition to slow chromatin and/or DNA looping dynamics, one source of long-lived promoter states is the slow binding and unbinding kinetics of transcription factors to promoters, i.e. the non-adiabatic binding regime. Here, we introduce a simple analytical framework, known as a piecewise deterministic Markov process (PDMP), that accurately describes the stochastic dynamics of gene expression in the non-adiabatic regime. We illustrate the utility of the PDMP on a non-trivial dynamical system by analysing the propertiesmore » of a titration-based oscillator in the non-adiabatic limit. We first show how to transform the underlying chemical master equation into a PDMP where the slow transitions between promoter states are stochastic, but whose rates depend upon the faster deterministic dynamics of the transcription factors regulated by these promoters. We show that the PDMP accurately describes the observed periods of stochastic cycles in activator and repressor-based titration oscillators. We then generalize our PDMP analysis to more complicated versions of titration-based oscillators to explain how multiple binding sites lengthen the period and improve coherence. Finally, we show how noise-induced oscillation previously observed in a titration-based oscillator arises from non-adiabatic and discrete binding events at the promoter site.« less

Efficient analysis of stochastic gene dynamics in the non-adiabatic regime using piecewise deterministic Markov processes

DOE PAGES

Lin, Yen Ting; Buchler, Nicolas E.

2018-01-31

Single-cell experiments show that gene expression is stochastic and bursty, a feature that can emerge from slow switching between promoter states with different activities. In addition to slow chromatin and/or DNA looping dynamics, one source of long-lived promoter states is the slow binding and unbinding kinetics of transcription factors to promoters, i.e. the non-adiabatic binding regime. Here, we introduce a simple analytical framework, known as a piecewise deterministic Markov process (PDMP), that accurately describes the stochastic dynamics of gene expression in the non-adiabatic regime. We illustrate the utility of the PDMP on a non-trivial dynamical system by analysing the propertiesmore » of a titration-based oscillator in the non-adiabatic limit. We first show how to transform the underlying chemical master equation into a PDMP where the slow transitions between promoter states are stochastic, but whose rates depend upon the faster deterministic dynamics of the transcription factors regulated by these promoters. We show that the PDMP accurately describes the observed periods of stochastic cycles in activator and repressor-based titration oscillators. We then generalize our PDMP analysis to more complicated versions of titration-based oscillators to explain how multiple binding sites lengthen the period and improve coherence. Finally, we show how noise-induced oscillation previously observed in a titration-based oscillator arises from non-adiabatic and discrete binding events at the promoter site.« less

Ion exchange of Group I metals by hydrous crystalline silicotitanates

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

Zheng, Z.; Philip, C.V.; Anthony, R.G.

1996-11-01

A new hydrous crystalline silicotitanate, labeled TAM-5 or CST, was developed for removing radioactive Cs{sup +} from aqueous nuclear waste. This material is stable to radiation, highly selective for cesium relative to sodium, potassium, rubidium, and protons, and performs well in acidic, neutral, and basic solutions. Various experiments were conducted to determine the ion exchange properties of TAM-5. Two kinds of ion exchange sites exist in the solid, and cation exchange in one site affects the ion exchange properties of the other site. These two types of sites have different thermal effects: with increasing temperature the pH of one increasesmore » and the pH of the other one decreases. The total ion exchange capacity is 4.6 mequiv/g, but the cesium ion exchange capacity was less, which shows that not all of the ion exchange sites are available for cesium exchange. Step changes were observed in the ion exchange isotherms. The solid phase behaved ideally prior to the step changes. The apparent capacities within the ideal solid region were 0.57 mequiv/g for Cs{sup +}, 1.18 mequiv/g for Rb{sup +}, and 1.2 mequiv/g for K{sup +}. Both direct competition by rubidium and protons and indirect competition by protons and potassium were observed. The rational selectivities, which were measured from binary ion exchange data, can be used in different solutions including the multicomponent ion exchange systems, because they are constant for an ideal solid. Binary ion exchange isotherms were also developed using the rational selectivity as the parameter for the isotherms of cesium, rubidinium, and potassium.« less

75 FR 25025 - 60-Day Notice of Proposed Information Collection: Exchange Programs Alumni Web Site Registration...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-05-06

...: Exchange Programs Alumni Web Site Registration, DS-7006 ACTION: Notice of request for public comments... the Paperwork Reduction Act of 1995. Title of Information Collection: Exchange Programs Alumni Web... techniques or other forms of technology. Abstract of proposed collection: The State Alumni Web site requires...

Optimization Under Uncertainty of Site-Specific Turbine Configurations

NASA Astrophysics Data System (ADS)

Quick, J.; Dykes, K.; Graf, P.; Zahle, F.

2016-09-01

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. If there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtained with increasing risk aversion on the part of the designer.

Ion Mobility Spectrometry-Hydrogen Deuterium Exchange Mass Spectrometry of Anions: Part 1. Peptides to Proteins

NASA Astrophysics Data System (ADS)

Donohoe, Gregory C.; Khakinejad, Mahdiar; Valentine, Stephen J.

2015-04-01

Ion mobility spectrometry (IMS) coupled with hydrogen deuterium exchange (HDX)-mass spectrometry (MS) has been used to study the conformations of negatively-charged peptide and protein ions. Results are presented for ion conformers of angiotensin 1, a synthetic peptide (SP), bovine insulin, ubiquitin, and equine cytochrome c. In general, the SP ion conformers demonstrate a greater level of HDX efficiency as a greater proportion of the sites undergo HDX. Additionally, these ions exhibit the fastest rates of exchange. Comparatively, the angiotensin 1 ions exhibit a lower rate of exchange and HDX level presumably because of decreased accessibility of exchange sites by charge sites. The latter are likely confined to the peptide termini. Insulin ions show dramatically reduced HDX levels and exchange rates, which can be attributed to decreased conformational flexibility resulting from the disulfide bonds. For the larger ubiquitin and protein ions, increased HDX is observed for larger ions of higher charge state. For ubiquitin, a conformational transition from compact to more elongated species (from lower to higher charge states) is reflected by an increase in HDX levels. These results can be explained by a combination of interior site protection by compact conformers as well as decreased access by charge sites. The elongated cytochrome c ions provide the largest HDX levels where higher values correlate with charge state. These results are consistent with increased exchange site accessibility by additional charge sites. The data from these enhanced IMS-HDX experiments are described in terms of charge site location, conformer rigidity, and interior site protection.

Log-periodic crashes revisited

NASA Astrophysics Data System (ADS)

Matsushita, Raul; da Silva, Sergio; Figueiredo, Annibal; Gleria, Iram

2006-05-01

We revisit the finding that crashes can be deterministic and governed by log-periodic formulas [D. Sornette, A. Johansen, Significance of log-periodic precursors to financial crashes, Quant. Finance 1 (2001) 452-471; D. Sornette, W.X. Zhou, The US 2000-2002 market descent: how much longer and deeper?, Quant. Finance 2 (2002) 468-481]. One- and two-harmonic equations are usually employed to fit daily data during bubble episodes. But a three-harmonics has been shown to fit anti-bubbles [A. Johansen, D. Sornette, Financial “anti-bubbles”: log-periodicity in gold and Nikkei collapses, Int. J. Mod. Phys. C 10 (1999) 563-575]. Here we show that the three-harmonic formula can work for bubble episodes as well as anti-bubbles. This is illustrated with daily data from the Brazilian real-US dollar exchange rate. And we also show that the three-harmonics can fit an intraday data set from that foreign exchange rate.

Identification of residues that control Li+ versus Na+ dependent Ca2+ exchange at the transport site of the mitochondrial NCLX.

PubMed

Roy, Soumitra; Dey, Kuntal; Hershfinkel, Michal; Ohana, Ehud; Sekler, Israel

2017-06-01

The Na + /Ca 2+ /Li + exchanger (NCLX) is a member of the Na + /Ca 2+ exchanger family. NCLX is unique in its capacity to transport both Na + and Li + , unlike other members, which are Na + selective. The major aim of this study was twofold, i.e., to identify NCLX residues that confer Li + or Na + selective Ca 2+ transport and map their putative location on NCLX cation transport site. We combined molecular modeling to map transport site of NCLX with euryarchaeal H + /Ca 2+ exchanger, CAX_Af, and fluorescence analysis to monitor Li + versus Na + dependent mitochondrial Ca 2+ efflux of transport site mutants of NCLX in permeabilized cells. Mutation of Asn149, Pro152, Asp153, Gly176, Asn467, Ser468, Gly494 and Asn498 partially or strongly abolished mitochondrial Ca 2+ exchange activity in intact cells. In permeabilized cells, N149A, P152A, D153A, N467Q, S468T and G494S demonstrated normal Li + /Ca 2+ exchange activity but a reduced Na + /Ca 2+ exchange activity. On the other hand, D471A showed dramatically reduced Li + /Ca 2+ exchange, but Na + /Ca 2+ exchange activity was unaffected. Finally, simultaneous mutation of four putative Ca 2+ binding residues was required to completely abolish both Na + /Ca 2+ and Li + /Ca 2+ exchange activities. We identified distinct Na + and Li + selective residues in the NCLX transport site. We propose that functional segregation in Li + and Na + sites reflects the functional properties of NCLX required for Ca 2+ exchange under the unique membrane potential and ion gradient across the inner mitochondrial membrane. The results of this study provide functional insights into the unique Li + and Na + selectivity of the mitochondrial exchanger. This article is part of a Special Issue entitled: ECS Meeting edited by Claus Heizmann, Joachim Krebs and Jacques Haiech. Copyright © 2017 Elsevier B.V. All rights reserved.

Development of probabilistic multimedia multipathway computer codes.

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

Yu, C.; LePoire, D.; Gnanapragasam, E.

2002-01-01

The deterministic multimedia dose/risk assessment codes RESRAD and RESRAD-BUILD have been widely used for many years for evaluation of sites contaminated with residual radioactive materials. The RESRAD code applies to the cleanup of sites (soils) and the RESRAD-BUILD code applies to the cleanup of buildings and structures. This work describes the procedure used to enhance the deterministic RESRAD and RESRAD-BUILD codes for probabilistic dose analysis. A six-step procedure was used in developing default parameter distributions and the probabilistic analysis modules. These six steps include (1) listing and categorizing parameters; (2) ranking parameters; (3) developing parameter distributions; (4) testing parameter distributionsmore » for probabilistic analysis; (5) developing probabilistic software modules; and (6) testing probabilistic modules and integrated codes. The procedures used can be applied to the development of other multimedia probabilistic codes. The probabilistic versions of RESRAD and RESRAD-BUILD codes provide tools for studying the uncertainty in dose assessment caused by uncertain input parameters. The parameter distribution data collected in this work can also be applied to other multimedia assessment tasks and multimedia computer codes.« less

Methods For Self-Organizing Software

DOEpatents

Bouchard, Ann M.; Osbourn, Gordon C.

2005-10-18

A method for dynamically self-assembling and executing software is provided, containing machines that self-assemble execution sequences and data structures. In addition to ordered functions calls (found commonly in other software methods), mutual selective bonding between bonding sites of machines actuates one or more of the bonding machines. Two or more machines can be virtually isolated by a construct, called an encapsulant, containing a population of machines and potentially other encapsulants that can only bond with each other. A hierarchical software structure can be created using nested encapsulants. Multi-threading is implemented by populations of machines in different encapsulants that are interacting concurrently. Machines and encapsulants can move in and out of other encapsulants, thereby changing the functionality. Bonding between machines' sites can be deterministic or stochastic with bonding triggering a sequence of actions that can be implemented by each machine. A self-assembled execution sequence occurs as a sequence of stochastic binding between machines followed by their deterministic actuation. It is the sequence of bonding of machines that determines the execution sequence, so that the sequence of instructions need not be contiguous in memory.

78 FR 21464 - Self-Regulatory Organizations; New York Stock Exchange LLC; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-10

... change is available on the Exchange's Web site at www.nyse.com , at the principal office of the Exchange... offers NYSE RRP.\\7\\ NYSE RRP is designed for Web site distribution and includes the real-time last sale... for reference purposes on Web sites at a low cost that would facilitate distribution to millions of...

A surface complexation and ion exchange model of Pb and Cd competitive sorption on natural soils

NASA Astrophysics Data System (ADS)

Serrano, Susana; O'Day, Peggy A.; Vlassopoulos, Dimitri; García-González, Maria Teresa; Garrido, Fernando

2009-02-01

The bioavailability and fate of heavy metals in the environment are often controlled by sorption reactions on the reactive surfaces of soil minerals. We have developed a non-electrostatic equilibrium model (NEM) with both surface complexation and ion exchange reactions to describe the sorption of Pb and Cd in single- and binary-metal systems over a range of pH and metal concentration. Mineralogical and exchange properties of three different acidic soils were used to constrain surface reactions in the model and to estimate surface densities for sorption sites, rather than treating them as adjustable parameters. Soil heterogeneity was modeled with >FeOH and >SOH functional groups, representing Fe- and Al-oxyhydroxide minerals and phyllosilicate clay mineral edge sites, and two ion exchange sites (X - and Y -), representing clay mineral exchange. An optimization process was carried out using the entire experimental sorption data set to determine the binding constants for Pb and Cd surface complexation and ion exchange reactions. Modeling results showed that the adsorption of Pb and Cd was distributed between ion exchange sites at low pH values and specific adsorption sites at higher pH values, mainly associated with >FeOH sites. Modeling results confirmed the greater tendency of Cd to be retained on exchange sites compared to Pb, which had a higher affinity than Cd for specific adsorption on >FeOH sites. Lead retention on >FeOH occurred at lower pH than for Cd, suggesting that Pb sorbs to surface hydroxyl groups at pH values at which Cd interacts only with exchange sites. The results from the binary system (both Pb and Cd present) showed that Cd retained in >FeOH sites decreased significantly in the presence of Pb, while the occupancy of Pb in these sites did not change in the presence of Cd. As a consequence of this competition, Cd was shifted to ion exchange sites, where it competes with Pb and possibly Ca (from the background electrolyte). Sorption on >SOH functional groups increased with increasing pH but was small compared to >FeOH sites, with little difference between single- and binary-metal systems. Model reactions and conditional sorption constants for Pb and Cd sorption were tested on a fourth soil that was not used for model optimization. The same reactions and constants were used successfully without adjustment by estimating surface site concentrations from soil mineralogy. The model formulation developed in this study is applicable to acidic mineral soils with low organic matter content. Extension of the model to soils of different composition may require selection of surface reactions that account for differences in clay and oxide mineral composition and organic matter content.

45 CFR 155.205 - Consumer assistance tools and programs of an Exchange.

Code of Federal Regulations, 2012 CFR

2012-10-01

... Exchange. (a) Call center. The Exchange must provide for operation of a toll-free call center that...)(1), (c)(2)(i), and (c)(3) of this section. (b) Internet Web site. The Exchange must maintain an up-to-date Internet Web site that meets the requirements outlined in paragraph (c) of this section and...

45 CFR 155.205 - Consumer assistance tools and programs of an Exchange.

Code of Federal Regulations, 2013 CFR

2013-10-01

... Exchange. (a) Call center. The Exchange must provide for operation of a toll-free call center that...)(1), (c)(2)(i), and (c)(3) of this section. (b) Internet Web site. The Exchange must maintain an up-to-date Internet Web site that meets the requirements outlined in paragraph (c) of this section and...

45 CFR 155.205 - Consumer assistance tools and programs of an Exchange.

Code of Federal Regulations, 2014 CFR

2014-10-01

... Exchange. (a) Call center. The Exchange must provide for operation of a toll-free call center that...)(1), (c)(2)(i), and (c)(3) of this section. (b) Internet Web site. The Exchange must maintain an up-to-date Internet Web site that meets the requirements outlined in paragraph (c) of this section and...

Colonization Habitat Controls Biomass, Composition, and Metabolic Activity of Attached Microbial Communities in the Columbia River Hyporheic Corridor.

PubMed

Stern, Noah; Ginder-Vogel, Matthew; Stegen, James C; Arntzen, Evan; Kennedy, David W; Larget, Bret R; Roden, Eric E

2017-08-15

Hydrologic exchange plays a critical role in biogeochemical cycling within the hyporheic zone (the interface between river water and groundwater) of riverine ecosystems. Such exchange may set limits on the rates of microbial metabolism and impose deterministic selection on microbial communities that adapt to dynamically changing dissolved organic carbon (DOC) sources. This study examined the response of attached microbial communities ( in situ colonized sand packs) from groundwater, hyporheic, and riverbed habitats within the Columbia River hyporheic corridor to "cross-feeding" with either groundwater, river water, or DOC-free artificial fluids. Our working hypothesis was that deterministic selection during in situ colonization would dictate the response to cross-feeding, with communities displaying maximal biomass and respiration when supplied with their native fluid source. In contrast to expectations, the major observation was that the riverbed colonized sand had much higher biomass and respiratory activity, as well as a distinct community structure, compared with those of the hyporheic and groundwater colonized sands. 16S rRNA gene amplicon sequencing revealed a much higher proportion of certain heterotrophic taxa as well as significant numbers of eukaryotic algal chloroplasts in the riverbed colonized sand. Significant quantities of DOC were released from riverbed sediment and colonized sand, and separate experiments showed that the released DOC stimulated respiration in the groundwater and piezometer colonized sand. These results suggest that the accumulation and degradation of labile particulate organic carbon (POC) within the riverbed are likely to release DOC, which may enter the hyporheic corridor during hydrologic exchange, thereby stimulating microbial activity and imposing deterministic selective pressure on the microbial community composition. IMPORTANCE The influence of river water-groundwater mixing on hyporheic zone microbial community structure and function is an important but poorly understood component of riverine biogeochemistry. This study employed an experimental approach to gain insight into how such mixing might be expected to influence the biomass, respiration, and composition of hyporheic zone microbial communities. Colonized sands from three different habitats (groundwater, river water, and hyporheic) were "cross-fed" with either groundwater, river water, or DOC-free artificial fluids. We expected that the colonization history would dictate the response to cross-feeding, with communities displaying maximal biomass and respiration when supplied with their native fluid source. By contrast, the major observation was that the riverbed communities had much higher biomass and respiration, as well as a distinct community structure compared with those of the hyporheic and groundwater colonized sands. These results highlight the importance of riverbed microbial metabolism in organic carbon processing in hyporheic corridors. Copyright © 2017 American Society for Microbiology.

USING A RISK-BASED METHODOLOGY FOR THE TRANSFER OF RADIOACTIVE MATERIAL WITHIN THE SAVANNAH RIVER SITE BOUNDARY

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

Loftin, B; Watkins, R; Loibl, M

2010-06-03

Shipment of radioactive materials (RAM) is discussed in the Code of Federal Regulations in parts of both 49 CFR and 10 CFR. The regulations provide the requirements and rules necessary for the safe shipment of RAM across public highways, railways, waterways, and through the air. These shipments are sometimes referred to as in-commerce shipments. Shipments of RAM entirely within the boundaries of Department of Energy sites, such as the Savannah River Site (SRS), can be made using methodology allowing provisions to maintain equivalent safety while deviating from the regulations for in-commerce shipments. These onsite shipments are known as transfers atmore » the SRS. These transfers must follow the requirements approved in a site-specific Transportation Safety Document (TSD). The TSD defines how the site will transfer materials so that they have equivalence to the regulations. These equivalences are documented in an Onsite Safety Assessment (OSA). The OSA can show how a particular packaging used onsite is equivalent to that which would be used for an in-commerce shipment. This is known as a deterministic approach. However, when a deterministic approach is not viable, the TSD allows for a risk-based OSA to be written. These risk-based assessments show that if a packaging does not provide the necessary safety to ensure that materials are not released (during normal or accident conditions) then the worst-case release of materials does not result in a dose consequence worse than that defined for the SRS. This paper will discuss recent challenges and successes using this methodology at the SRS.« less

Protein Aggregation/Folding: The Role of Deterministic Singularities of Sequence Hydrophobicity as Determined by Nonlinear Signal Analysis of Acylphosphatase and Aβ(1–40)

PubMed Central

Zbilut, Joseph P.; Colosimo, Alfredo; Conti, Filippo; Colafranceschi, Mauro; Manetti, Cesare; Valerio, MariaCristina; Webber, Charles L.; Giuliani, Alessandro

2003-01-01

The problem of protein folding vs. aggregation was investigated in acylphosphatase and the amyloid protein Aβ(1–40) by means of nonlinear signal analysis of their chain hydrophobicity. Numerical descriptors of recurrence patterns provided the basis for statistical evaluation of folding/aggregation distinctive features. Static and dynamic approaches were used to elucidate conditions coincident with folding vs. aggregation using comparisons with known protein secondary structure classifications, site-directed mutagenesis studies of acylphosphatase, and molecular dynamics simulations of amyloid protein, Aβ(1–40). The results suggest that a feature derived from principal component space characterized by the smoothness of singular, deterministic hydrophobicity patches plays a significant role in the conditions governing protein aggregation. PMID:14645049

Uncertainty-accounting environmental policy and management of water systems.

PubMed

Baresel, Christian; Destouni, Georgia

2007-05-15

Environmental policies for water quality and ecosystem management do not commonly require explicit stochastic accounts of uncertainty and risk associated with the quantification and prediction of waterborne pollutant loads and abatement effects. In this study, we formulate and investigate a possible environmental policy that does require an explicit stochastic uncertainty account. We compare both the environmental and economic resource allocation performance of such an uncertainty-accounting environmental policy with that of deterministic, risk-prone and risk-averse environmental policies under a range of different hypothetical, yet still possible, scenarios. The comparison indicates that a stochastic uncertainty-accounting policy may perform better than deterministic policies over a range of different scenarios. Even in the absence of reliable site-specific data, reported literature values appear to be useful for such a stochastic account of uncertainty.

Optimization Under Uncertainty of Site-Specific Turbine Configurations

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

Quick, J.; Dykes, K.; Graf, P.

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. Lastly, if there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtainedmore » with increasing risk aversion on the part of the designer.« less

Optimization under Uncertainty of Site-Specific Turbine Configurations: Preprint

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

Quick, Julian; Dykes, Katherine; Graf, Peter

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. If there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtained withmore » increasing risk aversion on the part of the designer.« less

Optimization Under Uncertainty of Site-Specific Turbine Configurations

DOE PAGES

Quick, J.; Dykes, K.; Graf, P.; ...

2016-10-03

Uncertainty affects many aspects of wind energy plant performance and cost. In this study, we explore opportunities for site-specific turbine configuration optimization that accounts for uncertainty in the wind resource. As a demonstration, a simple empirical model for wind plant cost of energy is used in an optimization under uncertainty to examine how different risk appetites affect the optimal selection of a turbine configuration for sites of different wind resource profiles. Lastly, if there is unusually high uncertainty in the site wind resource, the optimal turbine configuration diverges from the deterministic case and a generally more conservative design is obtainedmore » with increasing risk aversion on the part of the designer.« less

Economic analysis of interventions to improve village chicken production in Myanmar.

PubMed

Henning, J; Morton, J; Pym, R; Hla, T; Sunn, K; Meers, J

2013-07-01

A cost-benefit analysis using deterministic and stochastic modelling was conducted to identify the net benefits for households that adopt (1) vaccination of individual birds against Newcastle disease (ND) or (2) improved management of chick rearing by providing coops for the protection of chicks from predation and chick starter feed inside a creep feeder to support chicks' nutrition in village chicken flocks in Myanmar. Partial budgeting was used to assess the additional costs and benefits associated with each of the two interventions tested relative to neither strategy. In the deterministic model, over the first 3 years after the introduction of the interventions, the cumulative sum of the net differences from neither strategy was 13,189Kyat for ND vaccination and 77,645Kyat for improved chick management (effective exchange rate in 2005: 1000Kyat=1$US). Both interventions were also profitable after discounting over a 10-year period; Net Present Values for ND vaccination and improved chick management were 30,791 and 167,825Kyat, respectively. The Benefit-Cost Ratio for ND vaccination was very high (28.8). This was lower for improved chick management, due to greater costs of the intervention, but still favourable at 4.7. Using both interventions concurrently yielded a Net Present Value of 470,543Kyat and a Benefit-Cost Ratio of 11.2 over the 10-year period in the deterministic model. Using the stochastic model, for the first 3 years following the introduction of the interventions, the mean cumulative sums of the net difference were similar to those values obtained from the deterministic model. Sensitivity analysis indicated that the cumulative net differences were strongly influenced by grower bird sale income, particularly under improved chick management. The effects of the strategies on odds of households selling and consuming birds after 7 months, and numbers of birds being sold or consumed after this period also influenced profitability. Cost variations for equipment used under improved chick management were not markedly associated with profitability. Net Present Values and Benefit-Cost Ratios discounted over a 10-year period were also similar to the deterministic model when mean values obtained through stochastic modelling were used. In summary, the study showed that ND vaccination and improved chick management can improve the viability and profitability of village chicken production in Myanmar. Copyright © 2013 Elsevier B.V. All rights reserved.

Probing the rate-limiting step for intramolecular transfer of a transcription factor between specific sites on the same DNA molecule by (15)Nz-exchange NMR spectroscopy.

PubMed

Ryu, Kyoung-Seok; Tugarinov, Vitali; Clore, G Marius

2014-10-15

The kinetics of translocation of the homeodomain transcription factor HoxD9 between specific sites of the same or opposite polarities on the same DNA molecule have been studied by (15)Nz-exchange NMR spectroscopy. We show that exchange occurs by two facilitated diffusion mechanisms: a second-order intermolecular exchange reaction between specific sites located on different DNA molecules without the protein dissociating into free solution that predominates at high concentrations of free DNA, and a first-order intramolecular process involving direct transfer between specific sites located on the same DNA molecule. Control experiments using a mixture of two DNA molecules, each possessing only a single specific site, indicate that transfer between specific sites by full dissociation of HoxD9 into solution followed by reassociation is too slow to measure by z-exchange spectroscopy. Intramolecular transfer with comparable rate constants occurs between sites of the same and opposing polarity, indicating that both rotation-coupled sliding and hopping/flipping (analogous to geminate recombination) occur. The half-life for intramolecular transfer (0.5-1 s) is many orders of magnitude larger than the calculated transfer time (1-100 μs) by sliding, leading us to conclude that the intramolecular transfer rates measured by z-exchange spectroscopy represent the rate-limiting step for a one-base-pair shift from the specific site to the immediately adjacent nonspecific site. At zero concentration of added salt, the intramolecular transfer rate constants between sites of opposing polarity are smaller than those between sites of the same polarity, suggesting that hopping/flipping may become rate-limiting at very low salt concentrations.

Development and application of an exchange model for anisotropic water diffusion in the microporous MOF aluminum fumarate

NASA Astrophysics Data System (ADS)

Splith, Tobias; Fröhlich, Dominik; Henninger, Stefan K.; Stallmach, Frank

2018-06-01

Diffusion of water in aluminum fumarate was studied by means of pulsed field gradient (PFG) nuclear magnetic resonance (NMR). Due to water molecules exchanging between the intracrystalline anisotropic pore space and the isotropic intercrystalline void space the model of intracrystalline anisotropic diffusion fails to describe the experimental PFG NMR data at high observation times. Therefore, the two-site exchange model developed by Kärger is extended to the case of exchange between an anisotropic and an isotropic site. This extended exchange model is solved by numerical integration. It describes the experimental data very well and yields values for the intracrystalline diffusion coefficient and the mean residence times of the respective sites. Further PFG NMR studies were performed with coatings consisting of small aluminum fumarate crystals, which are used in adsorptive heat transformation applications. The diffusion coefficients of water in the small crystal coating are compared to the values expected from the extended two-site exchange model and from the model of long-range diffusion.

Caring Teachers and Symbolic Violence: Engaging the Productive Struggle in Practice and Research

ERIC Educational Resources Information Center

Scott, Brigitte C.

2012-01-01

Symbolic violence may not be a desirable theory to apply to public schooling--its structuralist limitations render it deterministic, lacking in human agency, and unpalatable to researchers and educators who see schools as viable and productive sites of social transformation. Perhaps for these reasons, it seems little has been written about…

BOREAS TF-11 SSA-Fen Leaf Gas Exchange Data

NASA Technical Reports Server (NTRS)

Arkebauer, Timothy J.; Hall, Forrest G. (Editor); Knapp, David E. (Editor)

2000-01-01

The BOREAS TF-11 team gathered a variety of data to complement its tower flux measurements collected at the SSA-Fen site. This data set contains single-leaf gas exchange data from the SSA-Fen site during 1994 and 1995. These leaf gas exchange properties were measured for the dominant vascular plants using portable gas exchange systems. The data are stored in tabular ASCII files.

Studies of the reactivity of the ferrihydrite surface by iron isotopic exchange and Mossbauer spectroscopy

USGS Publications Warehouse

Rea, Brigid A.; Davis, James A.; Waychunas , Glenn A.

1994-01-01

Two-line ferrihydrite is an important adsorbent of many toxics in natural and anthropogenic systems; however, the specific structural sites responsible for the high adsorption capacity are not well understood. A combination of chemical and spectroscopic techniques have been employed in this study to gain further insight into the structural nature of sites at the ferrihydrite surface. The kinetics of iron isotopic exchange demonstrated that there are at least two types of iron sites in ferrihydrite. One population of sites, referred to as labile sites, approached iron isotopic equilibrium within 24 hr in 59Fe-NTA solutions, while the second population of sites, referred to as non-labile, exhibited a much slower rate of isotopic exchange. Adsorbed arsenate reduced the degree of exchange by labile sites, indicating that the anion blocked or greatly inhibited the rate of exchange of these sites. Mössbauer spectra were collected from a variety of samples including 56Fe-ferrihydrite samples with 57Fe in labile sites, samples containing 57Fe throughout the structure, and samples with 57Fe in non-labile sites. The spectra showed characteristic broad doublets signifying poor structural order. Refined fits of the spectra indicated that labile sites have larger quadrupole splitting, hence more local distortion, than non-labile sites. In all cases, the spectra demonstrated some degree of asymmetry, indicating a distribution of Fe environments in ferrihydrite. Overall spectral findings, combined with recent EXAFS results (Waychunas et al., 1993), indicate that labile sites likely are more reactive (with respect to iron isotopic exchange) because they have fewer neighboring Fe octahedra and are therefore bound less strongly to the ferrihydrite structure. The labile population of sites probably is composed of end sites of the dioctahedral chain structure of 2-line ferrihydrite, which is a subset of the entire population of surface sites. Mössbauer spectra of samples containing adsorbed arsenate indicated that the anion may slightly decrease the distortion of labile sites and stabilized the structure as a whole by bidentate bonding.

Extremely Rare Interbreeding Events Can Explain Neanderthal DNA in Living Humans

PubMed Central

Neves, Armando G. M.; Serva, Maurizio

2012-01-01

Considering the recent experimental discovery of Green et al that present-day non-Africans have 1 to of their nuclear DNA of Neanderthal origin, we propose here a model which is able to quantify the genetic interbreeding between two subpopulations with equal fitness, living in the same geographic region. The model consists of a solvable system of deterministic ordinary differential equations containing as a stochastic ingredient a realization of the neutral Wright-Fisher process. By simulating the stochastic part of the model we are able to apply it to the interbreeding ofthe African ancestors of Eurasians and Middle Eastern Neanderthal subpopulations and estimate the only parameter of the model, which is the number of individuals per generation exchanged between subpopulations. Our results indicate that the amount of Neanderthal DNA in living non-Africans can be explained with maximum probability by the exchange of a single pair of individuals between the subpopulations at each 77 generations, but larger exchange frequencies are also allowed with sizeable probability. The results are compatible with a long coexistence time of 130,000 years, a total interbreeding population of order individuals, and with all living humans being descendants of Africans both for mitochondrial DNA and Y chromosome. PMID:23112810

75 FR 71475 - Self-Regulatory Organizations; International Securities Exchange, LLC; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-23

... the Exchange's Web site http://www.ise.com , at the principal office of the Exchange, and at the...'') and various forms of alternative trading systems (``ATSs''), including dark pools and electronic..., please use only one method. The Commission will post all comments on the Commissions Internet Web site...

Quantitative susceptibility mapping of human brain at 3T: a multisite reproducibility study.

PubMed

Lin, P-Y; Chao, T-C; Wu, M-L

2015-03-01

Quantitative susceptibility mapping of the human brain has demonstrated strong potential in examining iron deposition, which may help in investigating possible brain pathology. This study assesses the reproducibility of quantitative susceptibility mapping across different imaging sites. In this study, the susceptibility values of 5 regions of interest in the human brain were measured on 9 healthy subjects following calibration by using phantom experiments. Each of the subjects was imaged 5 times on 1 scanner with the same procedure repeated on 3 different 3T systems so that both within-site and cross-site quantitative susceptibility mapping precision levels could be assessed. Two quantitative susceptibility mapping algorithms, similar in principle, one by using iterative regularization (iterative quantitative susceptibility mapping) and the other with analytic optimal solutions (deterministic quantitative susceptibility mapping), were implemented, and their performances were compared. Results show that while deterministic quantitative susceptibility mapping had nearly 700 times faster computation speed, residual streaking artifacts seem to be more prominent compared with iterative quantitative susceptibility mapping. With quantitative susceptibility mapping, the putamen, globus pallidus, and caudate nucleus showed smaller imprecision on the order of 0.005 ppm, whereas the red nucleus and substantia nigra, closer to the skull base, had a somewhat larger imprecision of approximately 0.01 ppm. Cross-site errors were not significantly larger than within-site errors. Possible sources of estimation errors are discussed. The reproducibility of quantitative susceptibility mapping in the human brain in vivo is regionally dependent, and the precision levels achieved with quantitative susceptibility mapping should allow longitudinal and multisite studies such as aging-related changes in brain tissue magnetic susceptibility. © 2015 by American Journal of Neuroradiology.

Structural and theoretical basis for ligand exchange on thiolate monolayer protected gold nanoclusters.

PubMed

Heinecke, Christine L; Ni, Thomas W; Malola, Sami; Mäkinen, Ville; Wong, O Andrea; Häkkinen, Hannu; Ackerson, Christopher J

2012-08-15

Ligand exchange reactions are widely used for imparting new functionality on or integrating nanoparticles into devices. Thiolate-for-thiolate ligand exchange in monolayer protected gold nanoclusters has been used for over a decade; however, a firm structural basis of this reaction has been lacking. Herein, we present the first single-crystal X-ray structure of a partially exchanged Au(102)(p-MBA)(40)(p-BBT)(4) (p-MBA = para-mercaptobenzoic acid, p-BBT = para-bromobenzene thiol) with p-BBT as the incoming ligand. The crystal structure shows that 2 of the 22 symmetry-unique p-MBA ligand sites are partially exchanged to p-BBT under the initial fast kinetics in a 5 min timescale exchange reaction. Each of these ligand-binding sites is bonded to a different solvent-exposed Au atom, suggesting an associative mechanism for the initial ligand exchange. Density functional theory calculations modeling both thiol and thiolate incoming ligands postulate a mechanistic pathway for thiol-based ligand exchange. The discrete modification of a small set of ligand binding sites suggests Au(102)(p-MBA)(44) as a powerful platform for surface chemical engineering.

Seismic hazard assessment of the cultural heritage sites: A case study in Cappadocia (Turkey)

NASA Astrophysics Data System (ADS)

Seyrek, Evren; Orhan, Ahmet; Dinçer, İsmail

2014-05-01

Turkey is one of the most seismically active regions in the world. Major earthquakes with the potential of threatening life and property occur frequently here. In the last decade, over 50,000 residents lost their lives, commonly as a result of building failures in seismic events. The Cappadocia region is one of the most important touristic sites in Turkey. At the same time, the region has been included to the Word Heritage List by UNESCO at 1985 due to its natural, historical and cultural values. The region is undesirably affected by several environmental conditions, which are subjected in many previous studies. But, there are limited studies about the seismic evaluation of the region. Some of the important historical and cultural heritage sites are: Goreme Open Air Museum, Uchisar Castle, Ortahisar Castle, Derinkuyu Underground City and Ihlara Valley. According to seismic hazard zonation map published by the Ministry of Reconstruction and Settlement these heritage sites fall in Zone III, Zone IV and Zone V. This map show peak ground acceleration or 10 percent probability of exceedance in 50 years for bedrock. In this connection, seismic hazard assessment of these heritage sites has to be evaluated. In this study, seismic hazard calculations are performed both deterministic and probabilistic approaches with local site conditions. A catalog of historical and instrumental earthquakes is prepared and used in this study. The seismic sources have been identified for seismic hazard assessment based on geological, seismological and geophysical information. Peak Ground Acceleration (PGA) at bed rock level is calculated for different seismic sources using available attenuation relationship formula applicable to Turkey. The result of the present study reveals that the seismic hazard at these sites is closely matching with the Seismic Zonation map published by the Ministry of Reconstruction and Settlement. Keywords: Seismic Hazard Assessment, Probabilistic Approach, Deterministic Approach, Historical Heritage, Cappadocia.

A DFT based ligand field model for magnetic exchange coupling in transition metal dimer complexes:. (ii) application to magnetic systems with more than one unpaired electron per site

NASA Astrophysics Data System (ADS)

Atanasov, M.; Daul, C. A.

2003-11-01

The DFT based ligand field model for magnetic exchange coupling proposed recently, has been extended to systems containing more than one unpaired electron per site. The guidelines for this extension are described using a model example - the complex (NH 3) 3Cr III(OH) 3Cr III (NH 3) 33+. The exchange Hamiltonian, H ex=-J 12S1S2 has been simplified using symmetry principles, i.e. utilizing the D 3h(C 3v) Cr III - dimer(site) symmetry. Both antiferro- and ferromagnetic exchange coupling constants are found to yield important contributions to the value of the (negative, antiferromagnetic) exchange coupling constant in good agreement with experiment.

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Impacts of Vegetation on CO2 exchange, permafrost thaw depth, and NDVI in Alaskan tundra.

NASA Astrophysics Data System (ADS)

Kerr, L.; Steltzer, H.; Natali, S.; Schade, J. D.; Mann, P. J.; Holmes, R. M.; Melton, S.

2017-12-01

Changes in terrestrial carbon cycling in response to a warming climate in the Arctic will, in large part, be driven by current and future composition of the plant community. To better understand the variation in plant community structure and impacts on carbon cycling, we examined relationships between vegetation composition, NDVI, CO2 exchange, and permafrost thaw depth in the Yukon Kuskokwim Delta (YKD) in southwest Alaska. Our study sites included lichen-dominated peat plateaus, tussock tundra, fens, and drained lakes. We found a significant and positive relationship between NDVI and net ecosystem exchange across sites. Dominant functional groups across sites included lichen, moss, and graminoid vegetation, but variability in vegetation cover was high both within and across sites. Tussock-dominated tundra, peat plateaus, and drained lakes shared many of the same species, while the fen site had several unique species. Areas with higher lichen cover were associated with low NDVI, low gross primary productivity (GPP), and low net ecosystem exchange (NEE) in comparison with areas with little or no lichen cover. Because lichen comprises a large portion of this region's biomass, it is an important variable to consider in the context of CO2 exchange in the arctic tundra.

Safety design approach for external events in Japan sodium-cooled fast reactor

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

Yamano, H.; Kubo, S.; Tani, A.

2012-07-01

This paper describes a safety design approach for external events in the design study of Japan sodium-cooled fast reactor. An emphasis is introduction of a design extension external condition (DEEC). In addition to seismic design, other external events such as tsunami, strong wind, abnormal temperature, etc. were addressed in this study. From a wide variety of external events consisting of natural hazards and human-induced ones, a screening method was developed in terms of siting, consequence, frequency to select representative events. Design approaches for these events were categorized on the probabilistic, statistical and deterministic basis. External hazard conditions were considered mainlymore » for DEECs. In the probabilistic approach, the DEECs of earthquake, tsunami and strong wind were defined as 1/10 of exceedance probability of the external design bases. The other representative DEECs were also defined based on statistical or deterministic approaches. (authors)« less

Fuzzy linear model for production optimization of mining systems with multiple entities

NASA Astrophysics Data System (ADS)

Vujic, Slobodan; Benovic, Tomo; Miljanovic, Igor; Hudej, Marjan; Milutinovic, Aleksandar; Pavlovic, Petar

2011-12-01

Planning and production optimization within multiple mines or several work sites (entities) mining systems by using fuzzy linear programming (LP) was studied. LP is the most commonly used operations research methods in mining engineering. After the introductory review of properties and limitations of applying LP, short reviews of the general settings of deterministic and fuzzy LP models are presented. With the purpose of comparative analysis, the application of both LP models is presented using the example of the Bauxite Basin Niksic with five mines. After the assessment, LP is an efficient mathematical modeling tool in production planning and solving many other single-criteria optimization problems of mining engineering. After the comparison of advantages and deficiencies of both deterministic and fuzzy LP models, the conclusion presents benefits of the fuzzy LP model but is also stating that seeking the optimal plan of production means to accomplish the overall analysis that will encompass the LP model approaches.

Aquatic bacterial assemblage structure in Pozas Azules, Cuatro Cienegas Basin, Mexico: Deterministic vs. stochastic processes.

PubMed

Espinosa-Asuar, Laura; Escalante, Ana Elena; Gasca-Pineda, Jaime; Blaz, Jazmín; Peña, Lorena; Eguiarte, Luis E; Souza, Valeria

2015-06-01

The aim of this study was to determine the contributions of stochastic vs. deterministic processes in the distribution of microbial diversity in four ponds (Pozas Azules) within a temporally stable aquatic system in the Cuatro Cienegas Basin, State of Coahuila, Mexico. A sampling strategy for sites that were geographically delimited and had low environmental variation was applied to avoid obscuring distance effects. Aquatic bacterial diversity was characterized following a culture-independent approach (16S sequencing of clone libraries). The results showed a correlation between bacterial beta diversity (1-Sorensen) and geographic distance (distance decay of similarity), which indicated the influence of stochastic processes related to dispersion in the assembly of the ponds' bacterial communities. Our findings are the first to show the influence of dispersal limitation in the prokaryotic diversity distribution of Cuatro Cienegas Basin. Copyright© by the Spanish Society for Microbiology and Institute for Catalan Studies.

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Biosphere/atmosphere CO2 exchange in tundra ecosystems - Community characteristics and relationships with multispectral surface reflectance

NASA Technical Reports Server (NTRS)

Whiting, Gary J.; Bartlett, David S.; Fan, Song-Miao; Bakwin, Peter S.; Wofsy, Steven C.

1992-01-01

CO2 exchange rates were measured at selected tundra sites near Bethel, Alaska using portable, climate-controlled, instrumented enclosures. The empirically modeled exchange rate for a representative area of vegetated tundra was 1.2 +/- 1.2 g/sq m/d, compared to a tower-measured exchange over the same time period of 1.1 +.0- 1.2 g/sq m/d. Net exchange in response to varying light levels was compared to wet meadow and dry upland tundra, and to the net exchange measured by the micrometeoroidal tower technique. The multispectral reflectance properties of the sites were measured and related to exchange rates in order to provide a quantitative foundation for the use of satellite remote sensing to monitor biosphere/atmosphere CO2 exchange in the tundra biome.

Adequacy assessment of composite generation and transmission systems incorporating wind energy conversion systems

NASA Astrophysics Data System (ADS)

Gao, Yi

The development and utilization of wind energy for satisfying electrical demand has received considerable attention in recent years due to its tremendous environmental, social and economic benefits, together with public support and government incentives. Electric power generation from wind energy behaves quite differently from that of conventional sources. The fundamentally different operating characteristics of wind energy facilities therefore affect power system reliability in a different manner than those of conventional systems. The reliability impact of such a highly variable energy source is an important aspect that must be assessed when the wind power penetration is significant. The focus of the research described in this thesis is on the utilization of state sampling Monte Carlo simulation in wind integrated bulk electric system reliability analysis and the application of these concepts in system planning and decision making. Load forecast uncertainty is an important factor in long range planning and system development. This thesis describes two approximate approaches developed to reduce the number of steps in a load duration curve which includes load forecast uncertainty, and to provide reasonably accurate generating and bulk system reliability index predictions. The developed approaches are illustrated by application to two composite test systems. A method of generating correlated random numbers with uniform distributions and a specified correlation coefficient in the state sampling method is proposed and used to conduct adequacy assessment in generating systems and in bulk electric systems containing correlated wind farms in this thesis. The studies described show that it is possible to use the state sampling Monte Carlo simulation technique to quantitatively assess the reliability implications associated with adding wind power to a composite generation and transmission system including the effects of multiple correlated wind sites. This is an important development as it permits correlated wind farms to be incorporated in large practical system studies without requiring excessive increases in computer solution time. The procedures described in this thesis for creating monthly and seasonal wind farm models should prove useful in situations where time period models are required to incorporate scheduled maintenance of generation and transmission facilities. There is growing interest in combining deterministic considerations with probabilistic assessment in order to evaluate the quantitative system risk and conduct bulk power system planning. A relatively new approach that incorporates deterministic and probabilistic considerations in a single risk assessment framework has been designated as the joint deterministic-probabilistic approach. The research work described in this thesis illustrates that the joint deterministic-probabilistic approach can be effectively used to integrate wind power in bulk electric system planning. The studies described in this thesis show that the application of the joint deterministic-probabilistic method provides more stringent results for a system with wind power than the traditional deterministic N-1 method because the joint deterministic-probabilistic technique is driven by the deterministic N-1 criterion with an added probabilistic perspective which recognizes the power output characteristics of a wind turbine generator.

Niche partitioning in arbuscular mycorrhizal communities in temperate grasslands: a lesson from adjacent serpentine and nonserpentine habitats.

PubMed

Kohout, Petr; Doubková, Pavla; Bahram, Mohammad; Suda, Jan; Tedersoo, Leho; Voříšková, Jana; Sudová, Radka

2015-04-01

Arbuscular mycorrhizal fungi (AMF) represent an important soil microbial group playing a fundamental role in many terrestrial ecosystems. We explored the effects of deterministic (soil characteristics, host plant life stage, neighbouring plant communities) and stochastic processes on AMF colonization, richness and community composition in roots of Knautia arvensis (Dipsacaceae) plants from three serpentine grasslands and adjacent nonserpentine sites. Methodically, the study was based on 454-sequencing of the ITS region of rDNA. In total, we detected 81 molecular taxonomical operational units (MOTUs) belonging to the Glomeromycota. Serpentine character of the site negatively influenced AMF root colonization, similarly as higher Fe concentration. AMF MOTUs richness linearly increased along a pH gradient from 3.5 to 5.8. Contrary, K and Cr soil concentration had a negative influence on AMF MOTUs richness. We also detected a strong relation between neighbouring plant community composition and AMF MOTUs richness. Although spatial distance between the sampled sites (c. 0.3-3 km) contributed to structuring AMF communities in K. arvensis roots, environmental parameters were key factors in this respect. In particular, the composition of AMF communities was shaped by the complex of serpentine conditions, pH and available soil Ni concentration. The composition of AMF communities was also dependent on host plant life stage (vegetative vs. generative). Our study supports the dominance of deterministic factors in structuring AMF communities in heterogeneous environment composed of an edaphic mosaic of serpentine and nonserpentine soils. © 2015 John Wiley & Sons Ltd.

Neo-Deterministic Seismic Hazard Assessment at Watts Bar Nuclear Power Plant Site, Tennessee, USA

NASA Astrophysics Data System (ADS)

Brandmayr, E.; Cameron, C.; Vaccari, F.; Fasan, M.; Romanelli, F.; Magrin, A.; Vlahovic, G.

2017-12-01

Watts Bar Nuclear Power Plant (WBNPP) is located within the Eastern Tennessee Seismic Zone (ETSZ), the second most naturally active seismic zone in the US east of the Rocky Mountains. The largest instrumental earthquakes in the ETSZ are M 4.6, although paleoseismic evidence supports events of M≥6.5. Events are mainly strike-slip and occur on steeply dipping planes at an average depth of 13 km. In this work, we apply the neo-deterministic seismic hazard assessment to estimate the potential seismic input at the plant site, which has been recently targeted by the Nuclear Regulatory Commission for a seismic hazard reevaluation. First, we perform a parametric test on some seismic source characteristics (i.e. distance, depth, strike, dip and rake) using a one-dimensional regional bedrock model to define the most conservative scenario earthquakes. Then, for the selected scenario earthquakes, the estimate of the ground motion input at WBNPP is refined using a two-dimensional local structural model (based on the plant's operator documentation) with topography, thus looking for site amplification and different possible rupture processes at the source. WBNNP features a safe shutdown earthquake (SSE) design with PGA of 0.18 g and maximum spectral amplification (SA, 5% damped) of 0.46 g (at periods between 0.15 and 0.5 s). Our results suggest that, although for most of the considered scenarios the PGA is relatively low, SSE values can be reached and exceeded in the case of the most conservative scenario earthquakes.

Towards a Stochastic Predictive Understanding of Ecosystem Functioning and Resilience to Environmental Changes

NASA Astrophysics Data System (ADS)

Pappas, C.

2017-12-01

Terrestrial ecosystem processes respond differently to hydrometeorological variability across timescales, and so does our scientific understanding of the underlying mechanisms. Process-based modeling of ecosystem functioning is therefore challenging, especially when long-term predictions are envisioned. Here we analyze the statistical properties of hydrometeorological and ecosystem variability, i.e., the variability of ecosystem process related to vegetation carbon dynamics, from hourly to decadal timescales. 23 extra-tropical forest sites, covering different climatic zones and vegetation characteristics, are examined. Micrometeorological and reanalysis data of precipitation, air temperature, shortwave radiation and vapor pressure deficit are used to describe hydrometeorological variability. Ecosystem variability is quantified using long-term eddy covariance flux data of hourly net ecosystem exchange of CO2 between land surface and atmosphere, monthly remote sensing vegetation indices, annual tree-ring widths and above-ground biomass increment estimates. We find that across sites and timescales ecosystem variability is confined within a hydrometeorological envelope that describes the range of variability of the available resources, i.e., water and energy. Furthermore, ecosystem variability demonstrates long-term persistence, highlighting ecological memory and slow ecosystem recovery rates after disturbances. We derive an analytical model, combining deterministic harmonics and stochastic processes, that represents major mechanisms and uncertainties and mimics the observed pattern of hydrometeorological and ecosystem variability. This stochastic framework offers a parsimonious and mathematically tractable approach for modelling ecosystem functioning and for understanding its response and resilience to environmental changes. Furthermore, this framework reflects well the observed ecological memory, an inherent property of ecosystem functioning that is currently not captured by simulation results with process-based models. Our analysis offers a perspective for terrestrial ecosystem modelling, combining current process understanding with stochastic methods, and paves the way for new model-data integration opportunities in Earth system sciences.

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Monitoring Ras Interactions with the Nucleotide Exchange Factor Son of Sevenless (Sos) Using Site-specific NMR Reporter Signals and Intrinsic Fluorescence*

PubMed Central

Vo, Uybach; Vajpai, Navratna; Flavell, Liz; Bobby, Romel; Breeze, Alexander L.; Embrey, Kevin J.; Golovanov, Alexander P.

2016-01-01

The activity of Ras is controlled by the interconversion between GTP- and GDP-bound forms partly regulated by the binding of the guanine nucleotide exchange factor Son of Sevenless (Sos). The details of Sos binding, leading to nucleotide exchange and subsequent dissociation of the complex, are not completely understood. Here, we used uniformly 15N-labeled Ras as well as [13C]methyl-Met,Ile-labeled Sos for observing site-specific details of Ras-Sos interactions in solution. Binding of various forms of Ras (loaded with GDP and mimics of GTP or nucleotide-free) at the allosteric and catalytic sites of Sos was comprehensively characterized by monitoring signal perturbations in the NMR spectra. The overall affinity of binding between these protein variants as well as their selected functional mutants was also investigated using intrinsic fluorescence. The data support a positive feedback activation of Sos by Ras·GTP with Ras·GTP binding as a substrate for the catalytic site of activated Sos more weakly than Ras·GDP, suggesting that Sos should actively promote unidirectional GDP → GTP exchange on Ras in preference of passive homonucleotide exchange. Ras·GDP weakly binds to the catalytic but not to the allosteric site of Sos. This confirms that Ras·GDP cannot properly activate Sos at the allosteric site. The novel site-specific assay described may be useful for design of drugs aimed at perturbing Ras-Sos interactions. PMID:26565026

Hydrogen Exchange During Cell-Free Incorporation of Deuterated Amino Acids and an Approach to its Inhibition

PubMed Central

Tonelli, M.; Singarapu, K. K.; Markley, J. L.; Makino, S.; Sahu, S .C.; Matsubara, Y.; Endo, Y.; Kainosho, M.

2012-01-01

Perdeuteration, selective deuteration, and stereo array isotope labeling (SAIL) are valuable strategies for NMR studies of larger proteins and membrane proteins. To minimize scrambling of the label, it is best to use cell-free methods to prepare selectively labeled proteins. However, when proteins are prepared from deuterated amino acids by cell-free translation in H2O, exchange reactions can lead to contamination of 2H sites by 1H from the solvent. Examination of a sample of SAIL-chlorella ubiquitin prepared by Escherichia coli cell-free synthesis revealed that exchange had occurred at several residues (mainly at Gly, Ala, Asp, Asn, Glu, and Gln). We present results from a study aimed at identifying the exchanging sites and level of exchange and at testing a strategy for minimizing 1H contamination during wheat germ cell-free translation of proteins produced from deuterated amino acids by adding known inhibitors of transaminases (1 mM aminooxyacetic acid) and glutamate synthetase (0.1 mM L-methionine sulfoximine). By using a wheat germ cell-free expression system, we produced [U-2H,15N]-chlorella ubiquitin without and with added inhibitors, and [U-15N]-chlorella ubiquitin as a reference to determine the extent of deuterium incorporation. We also prepared a sample of [U-13C,15N]-chlorella ubiquitin, for use in assigning the sites of exchange. The added inhibitors did not reduce the protein yield and were successful in blocking hydrogen exchange at Cα sites with the exception of Gly. We discovered, in addition, that partial exchange occurred with or without the inhibitors at certain side-chain methyl and methylene groups: Ala-Hβ, Asn-Hβ, Asp-Hβ, Gln-Hγ, Glu-Hγ, and Lys-Hε. The side-chain labeling pattern, in particular the mixed chiral labeling resulting from partial exchange at certain sites, should be of interest in studies of large proteins, protein complexes, and membrane proteins. PMID:21984356

Use of social networking sites by parents of very low birth weight infants: experiences and the potential of a dedicated site.

PubMed

Gabbert, Tatjana I; Metze, Boris; Bührer, Christoph; Garten, Lars

2013-12-01

The objective of this study was to study the experiences of parents of preterm infants who use social networking sites and the potential of such sites for gathering information and facilitating personal exchange. An anonymous self-reporting questionnaire was administered to parents of infants below 1,500 g birth weight born between January 1, 2009 and December 31, 2010 in two tertiary neonatal intensive care units. Of the 278 families who were sent a questionnaire, 141 responded; 53.6 % of respondents claimed to be presently members of online social networking sites. However, only 10.7 and 18.6 % used the Internet to exchange information about their infants during the NICU stay and after discharge, respectively. Most (64.0 %) responding parents considered that currently available commercial Internet sites inadequately met their need to exchange information as parents of preterm infants. Overall, 79.1 % of respondents reported that they would be interested in joining a native-language online networking site providing (1) general information on prematurity, (2) explanations of abbreviations commonly used in a hospital setting, and (3) details of common medical problems and the treatment thereof, including the availability of local therapists and follow-up services. Also, parents wanted to engage in personal exchange online not only with other parents but also with medical staff. The support of parents of hospitalized preterm infants by neonatal nurses and doctors could be extended by developing an expert-controlled, online networking site providing reliable and updated information and facilitating personal exchange among parents.

An Experimental and Theoretical Evaluation of Multi-site Cadmium(II) Exchange in Designed Three-Stranded Coiled Coil Peptides

PubMed Central

Chakraborty, Saumen; Iranzo, Olga; Zuiderweg, Erik R.P.; Pecoraro, Vincent L.

2012-01-01

An important factor that defines the toxicity of elements such as cadmium(II), mercury(II), and lead(II) with biological macromolecules is metal ion exchange dynamics. Intriguingly, little is known about the fundamental rates and mechanisms of metal ion exchange into proteins, especially helical bundles. Herein, we investigate the exchange kinetics of cadmium(II) using de novo designed three-stranded coiled coil peptides that contain metal complexing cysteine thiolates as a model for the incorporation of this ion into trimeric, parallel helical bundles. Peptides were designed containing both single cadmium(II) binding site, GrandL12AL16C [Grand=AcG-(LKALEEK)5-GNH2], GrandL26AL30C, and GrandL26AE28QL30C, as well as GrandL12AL16CL26AL30C with two cadmium(II) binding sites. The binding of cadmium(II) to any of these sites is of high affinity (KA > 3×107 M−1). Using 113Cd NMR spectroscopy, cadmium(II) binding to these designed peptides was monitored. While the cadmium(II) binding is in extreme slow exchange without showing any chemical shift changes, incremental line broadening for the bound 113cadmium(II) signal is observed when excess 113cadmium(II) is titrated into the peptides. Most dramatically, for one site, L26AL30C, all 113cadmium(II) NMR signals disappear once a 1.7:1 ratio of cadmium(II)/(peptide)3 is reached. The observed processes are not compatible with simple “free-bound” two-site exchange kinetics at any time regime. The experimental results can, however, be simulated in detail with a multi-site binding model, which features additional cadmium(II) binding site(s) which, once occupied, perturb the primary binding site. This model is expanded into differential equations for five-site NMR chemical exchange. The numerical integration of these equations exhibits progressive loss of the primary site NMR signal without a chemical shift change and with limited line broadening, in good agreement with the observed experimental data. The mathematical model is interpreted in molecular terms as representing binding of excess cadmium(II) to surface Glu residues located at the helical interfaces. In the absence of cadmium(II), the Glu residues stabilize the three-helical structure though salt bridge interactions with surface Lys residues. We hypothesize that cadmium(II) interferes with these surface ion pairs, destabilizing the helical structure, and perturbing the primary cadmium(II) binding site. This hypothesis is supported by the observation that the cadmium(II)-excess line broadening is attenuated in GrandL26AE28QL30C where a surface Glu(28), close to the metal binding site, was changed to Gln. The external binding site may function as an entry pathway for cadmium(II) to find its internal binding site following a molecular rearrangement which may serve as a basis for our understanding of metal complexation, transport and exchange in complex native systems containing α-helical bundles. PMID:22394049

Dynamic NMR under nonstationary conditions: Theoretical model, numerical calculation, and potential of application

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

Babailov, S. P., E-mail: babajlov@niic.nsc.ru; National Research Tomsk Polytechnic University, Lenin Avenue 30, Tomsk 634050; Purtov, P. A.

An expression has been derived for the time dependence of the NMR line shape for systems with multi-site chemical exchange in the absence of spin-spin coupling, in a zero saturation limit. The dynamics of variation of the NMR line shape with time is considered in detail for the case of two-site chemical exchange. Mathematical programs have been designed for numerical simulation of the NMR spectra of chemical exchange systems. The analytical expressions obtained are useful for NMR line shape simulations for systems with photoinduced chemical exchange.

Deterministic approach for multiple-source tsunami hazard assessment for Sines, Portugal

NASA Astrophysics Data System (ADS)

Wronna, M.; Omira, R.; Baptista, M. A.

2015-11-01

In this paper, we present a deterministic approach to tsunami hazard assessment for the city and harbour of Sines, Portugal, one of the test sites of project ASTARTE (Assessment, STrategy And Risk Reduction for Tsunamis in Europe). Sines has one of the most important deep-water ports, which has oil-bearing, petrochemical, liquid-bulk, coal, and container terminals. The port and its industrial infrastructures face the ocean southwest towards the main seismogenic sources. This work considers two different seismic zones: the Southwest Iberian Margin and the Gloria Fault. Within these two regions, we selected a total of six scenarios to assess the tsunami impact at the test site. The tsunami simulations are computed using NSWING, a Non-linear Shallow Water model wIth Nested Grids. In this study, the static effect of tides is analysed for three different tidal stages: MLLW (mean lower low water), MSL (mean sea level), and MHHW (mean higher high water). For each scenario, the tsunami hazard is described by maximum values of wave height, flow depth, drawback, maximum inundation area and run-up. Synthetic waveforms are computed at virtual tide gauges at specific locations outside and inside the harbour. The final results describe the impact at the Sines test site considering the single scenarios at mean sea level, the aggregate scenario, and the influence of the tide on the aggregate scenario. The results confirm the composite source of Horseshoe and Marques de Pombal faults as the worst-case scenario, with wave heights of over 10 m, which reach the coast approximately 22 min after the rupture. It dominates the aggregate scenario by about 60 % of the impact area at the test site, considering maximum wave height and maximum flow depth. The HSMPF scenario inundates a total area of 3.5 km2.

Assimilating MODIS-based albedo and snow cover fraction into the Common Land Model to improve snow depth simulation with direct insertion and deterministic ensemble Kalman filter methods

NASA Astrophysics Data System (ADS)

Xu, Jianhui; Shu, Hong

2014-09-01

This study assesses the analysis performance of assimilating the Moderate Resolution Imaging Spectroradiometer (MODIS)-based albedo and snow cover fraction (SCF) separately or jointly into the physically based Common Land Model (CoLM). A direct insertion method (DI) is proposed to assimilate the black and white-sky albedos into the CoLM. The MODIS-based albedo is calculated with the MODIS bidirectional reflectance distribution function (BRDF) model parameters product (MCD43B1) and the solar zenith angle as estimated in the CoLM for each time step. Meanwhile, the MODIS SCF (MOD10A1) is assimilated into the CoLM using the deterministic ensemble Kalman filter (DEnKF) method. A new DEnKF-albedo assimilation scheme for integrating the DI and DEnKF assimilation schemes is proposed. Our assimilation results are validated against in situ snow depth observations from November 2008 to March 2009 at five sites in the Altay region of China. The experimental results show that all three data assimilation schemes can improve snow depth simulations. But overall, the DEnKF-albedo assimilation shows the best analysis performance as it significantly reduces the bias and root-mean-square error (RMSE) during the snow accumulation and ablation periods at all sites except for the Fuyun site. The SCF assimilation via DEnKF produces better results than the albedo assimilation via DI, implying that the albedo assimilation that indirectly updates the snow depth state variable is less efficient than the direct SCF assimilation. For the Fuyun site, the DEnKF-albedo scheme tends to overestimate the snow depth accumulation with the maximum bias and RMSE values because of the large positive innovation (observation minus forecast).

Stochastic Seismic Inversion and Migration for Offshore Site Investigation in the Northern Gulf of Mexico

NASA Astrophysics Data System (ADS)

Son, J.; Medina-Cetina, Z.

2017-12-01

We discuss the comparison between deterministic and stochastic optimization approaches to the nonlinear geophysical full-waveform inverse problem, based on the seismic survey data from Mississippi Canyon in the Northern Gulf of Mexico. Since the subsea engineering and offshore construction projects actively require reliable ground models from various site investigations, the primary goal of this study is to reconstruct the accurate subsurface information of the soil and rock material profiles under the seafloor. The shallow sediment layers have naturally formed heterogeneous formations which may cause unwanted marine landslides or foundation failures of underwater infrastructure. We chose the quasi-Newton and simulated annealing as deterministic and stochastic optimization algorithms respectively. Seismic forward modeling based on finite difference method with absorbing boundary condition implements the iterative simulations in the inverse modeling. We briefly report on numerical experiments using a synthetic data as an offshore ground model which contains shallow artificial target profiles of geomaterials under the seafloor. We apply the seismic migration processing and generate Voronoi tessellation on two-dimensional space-domain to improve the computational efficiency of the imaging stratigraphical velocity model reconstruction. We then report on the detail of a field data implementation, which shows the complex geologic structures in the Northern Gulf of Mexico. Lastly, we compare the new inverted image of subsurface site profiles in the space-domain with the previously processed seismic image in the time-domain at the same location. Overall, stochastic optimization for seismic inversion with migration and Voronoi tessellation show significant promise to improve the subsurface imaging of ground models and improve the computational efficiency required for the full waveform inversion. We anticipate that by improving the inversion process of shallow layers from geophysical data will better support the offshore site investigation.

CPT site characterization for seismic hazards in the New Madrid seismic zone

USGS Publications Warehouse

Liao, T.; Mayne, P.W.; Tuttle, M.P.; Schweig, E.S.; Van Arsdale, R.B.

2002-01-01

A series of cone penetration tests (CPTs) were conducted in the vicinity of the New Madrid seismic zone in central USA for quantifying seismic hazards, obtaining geotechnical soil properties, and conducting studies at liquefaction sites related to the 1811-1812 and prehistoric New Madrid earthquakes. The seismic piezocone provides four independent measurements for delineating the stratigraphy, liquefaction potential, and site amplification parameters. At the same location, two independent assessments of soil liquefaction susceptibility can be made using both the normalized tip resistance (qc1N) and shear wave velocity (Vs1). In lieu of traditional deterministic approaches, the CPT data can be processed using probability curves to assess the level and likelihood of future liquefaction occurrence. ?? 2002 Elsevier Science Ltd. All rights reserved.

On the optimal selection of interpolation methods for groundwater contouring: An example of propagation of uncertainty regarding inter-aquifer exchange

NASA Astrophysics Data System (ADS)

Ohmer, Marc; Liesch, Tanja; Goeppert, Nadine; Goldscheider, Nico

2017-11-01

The selection of the best possible method to interpolate a continuous groundwater surface from point data of groundwater levels is a controversial issue. In the present study four deterministic and five geostatistical interpolation methods (global polynomial interpolation, local polynomial interpolation, inverse distance weighting, radial basis function, simple-, ordinary-, universal-, empirical Bayesian and co-Kriging) and six error statistics (ME, MAE, MAPE, RMSE, RMSSE, Pearson R) were examined for a Jurassic karst aquifer and a Quaternary alluvial aquifer. We investigated the possible propagation of uncertainty of the chosen interpolation method on the calculation of the estimated vertical groundwater exchange between the aquifers. Furthermore, we validated the results with eco-hydrogeological data including the comparison between calculated groundwater depths and geographic locations of karst springs, wetlands and surface waters. These results show, that calculated inter-aquifer exchange rates based on different interpolations of groundwater potentials may vary greatly depending on the chosen interpolation method (by factor >10). Therefore, the choice of an interpolation method should be made with care, taking different error measures as well as additional data for plausibility control into account. The most accurate results have been obtained with co-Kriging incorporating secondary data (e.g. topography, river levels).

Deterministic chaotic dynamics of Raba River flow (Polish Carpathian Mountains)

NASA Astrophysics Data System (ADS)

Kędra, Mariola

2014-02-01

Is the underlying dynamics of river flow random or deterministic? If it is deterministic, is it deterministic chaotic? This issue is still controversial. The application of several independent methods, techniques and tools for studying daily river flow data gives consistent, reliable and clear-cut results to the question. The outcomes point out that the investigated discharge dynamics is not random but deterministic. Moreover, the results completely confirm the nonlinear deterministic chaotic nature of the studied process. The research was conducted on daily discharge from two selected gauging stations of the mountain river in southern Poland, the Raba River.

78 FR 69168 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated; Notice of Filing and...

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2013-11-18

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Influence of genome and bio-ecology on the prevalence of genome exchange in unisexuals of the Ambystoma complex.

PubMed

Beauregard, France; Angers, Bernard

2018-05-31

Unisexuals of the blue-spotted salamander complex are thought to reproduce by kleptogenesis. Genome exchanges associated with this sperm-dependent mode of reproduction are expected to result in a higher genetic variation and multiple ploidy levels compared to clonality. However, the existence of some populations exclusively formed of genetically identical individuals suggests that factors could prevent genome exchanges. This study aimed at assessing the prevalence of genome exchange among unisexuals of the Ambystoma laterale-jeffersonianum complex from 10 sites in the northern part of their distribution. A total of 235 individuals, including 207 unisexuals, were genotyped using microsatellite loci and AFLP. Unisexual individuals could be sorted in five genetically distinct groups, likely derived from the same paternal A. jeffersonianum haplome. One of these groups exclusively reproduced clonally, even when found in sympatry with lineages presenting signature of genome exchange. Genome exchange was site-dependent for another group. Genome exchange was detected at all sites for the three remaining groups. Prevalence of genome exchange appears to be associated with ecological conditions such as availability of effective sperm donors. Intrinsic genomic factors may also affect this process, since different lineages in sympatry present highly variable rate of genome exchange. The coexistence of clonal and genetically diversified lineages opens the door to further research on alternatives to genetic variation.

Gaseous and Freely-Dissolved PCBs in the Lower Great Lakes Based on Passive Sampling: Spatial Trends and Air-Water Exchange.

PubMed

Liu, Ying; Wang, Siyao; McDonough, Carrie A; Khairy, Mohammed; Muir, Derek C G; Helm, Paul A; Lohmann, Rainer

2016-05-17

Polyethylene passive sampling was performed to quantify gaseous and freely dissolved polychlorinated biphenyls (PCBs) in the air and water of Lakes Erie and Ontario during 2011-2012. In view of differing physical characteristics and the impacts of historical contamination by PCBs within these lakes, spatial variation of PCB concentrations and air-water exchange across these lakes may be expected. Both lakes displayed statistically similar aqueous and atmospheric PCB concentrations. Total aqueous concentrations of 29 PCBs ranged from 1.5 pg L(-1) in the open lake of Lake Erie (site E02) in 2011 spring to 105 pg L(-1) in Niagara (site On05) in 2012 summer, while total atmospheric concentrations were 7.7-634 pg m(-3) across both lakes. A west-to-east gradient was observed for aqueous PCBs in Lake Erie. River discharge and localized influences (e.g., sediment resuspension and regional alongshore transport) likely dominated spatial trends of aqueous PCBs in both lakes. Air-water exchange fluxes of Σ7PCBs ranged from -2.4 (±1.9) ng m(-2) day(-1) (deposition) in Sheffield (site E03) to 9.0 (±3.1) ng m(-2) day(-1) (volatilization) in Niagara (site On05). Net volatilization of PCBs was the primary trend across most sites and periods. Almost half of variation in air-water exchange fluxes was attributed to the difference in aqueous concentrations of PCBs. Uncertainty analysis in fugacity ratios and mass fluxes in air-water exchange of PCBs indicated that PCBs have reached or approached equilibrium only at the eastern Lake Erie and along the Canadian shore of Lake Ontario sites, where air-water exchange fluxes dominated atmospheric concentrations.

Monitoring Ras Interactions with the Nucleotide Exchange Factor Son of Sevenless (Sos) Using Site-specific NMR Reporter Signals and Intrinsic Fluorescence.

PubMed

Vo, Uybach; Vajpai, Navratna; Flavell, Liz; Bobby, Romel; Breeze, Alexander L; Embrey, Kevin J; Golovanov, Alexander P

2016-01-22

The activity of Ras is controlled by the interconversion between GTP- and GDP-bound forms partly regulated by the binding of the guanine nucleotide exchange factor Son of Sevenless (Sos). The details of Sos binding, leading to nucleotide exchange and subsequent dissociation of the complex, are not completely understood. Here, we used uniformly (15)N-labeled Ras as well as [(13)C]methyl-Met,Ile-labeled Sos for observing site-specific details of Ras-Sos interactions in solution. Binding of various forms of Ras (loaded with GDP and mimics of GTP or nucleotide-free) at the allosteric and catalytic sites of Sos was comprehensively characterized by monitoring signal perturbations in the NMR spectra. The overall affinity of binding between these protein variants as well as their selected functional mutants was also investigated using intrinsic fluorescence. The data support a positive feedback activation of Sos by Ras·GTP with Ras·GTP binding as a substrate for the catalytic site of activated Sos more weakly than Ras·GDP, suggesting that Sos should actively promote unidirectional GDP → GTP exchange on Ras in preference of passive homonucleotide exchange. Ras·GDP weakly binds to the catalytic but not to the allosteric site of Sos. This confirms that Ras·GDP cannot properly activate Sos at the allosteric site. The novel site-specific assay described may be useful for design of drugs aimed at perturbing Ras-Sos interactions. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Immersion freezing of internally and externally mixed mineral dust species analyzed by stochastic and deterministic models

NASA Astrophysics Data System (ADS)

Wong, B.; Kilthau, W.; Knopf, D. A.

2017-12-01

Immersion freezing is recognized as the most important ice crystal formation process in mixed-phase cloud environments. It is well established that mineral dust species can act as efficient ice nucleating particles. Previous research has focused on determination of the ice nucleation propensity of individual mineral dust species. In this study, the focus is placed on how different mineral dust species such as illite, kaolinite and feldspar, initiate freezing of water droplets when present in internal and external mixtures. The frozen fraction data for single and multicomponent mineral dust droplet mixtures are recorded under identical cooling rates. Additionally, the time dependence of freezing is explored. Externally and internally mixed mineral dust droplet samples are exposed to constant temperatures (isothermal freezing experiments) and frozen fraction data is recorded based on time intervals. Analyses of single and multicomponent mineral dust droplet samples include different stochastic and deterministic models such as the derivation of the heterogeneous ice nucleation rate coefficient (J­­het), the single contact angle (α) description, the α-PDF model, active sites representation, and the deterministic model. Parameter sets derived from freezing data of single component mineral dust samples are evaluated for prediction of cooling rate dependent and isothermal freezing of multicomponent externally or internally mixed mineral dust samples. The atmospheric implications of our findings are discussed.

78 FR 21469 - Self-Regulatory Organizations; NYSE MKT LLC; Notice of Filing and Immediate Effectiveness of...

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2013-04-10

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Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-10

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Geospatial variability of soil CO2-C exchange in the main terrestrial ecosystems of Keller Peninsula, Maritime Antarctica.

PubMed

Thomazini, A; Francelino, M R; Pereira, A B; Schünemann, A L; Mendonça, E S; Almeida, P H A; Schaefer, C E G R

2016-08-15

Soils and vegetation play an important role in the carbon exchange in Maritime Antarctica but little is known on the spatial variability of carbon processes in Antarctic terrestrial environments. The objective of the current study was to investigate (i) the soil development and (ii) spatial variability of ecosystem respiration (ER), net ecosystem CO2 exchange (NEE), gross primary production (GPP), soil temperature (ST) and soil moisture (SM) under four distinct vegetation types and a bare soil in Keller Peninsula, King George Island, Maritime Antarctica, as follows: site 1: moss-turf community; site 2: moss-carpet community; site 3: phanerogamic antarctic community; site 4: moss-carpet community (predominantly colonized by Sanionia uncinata); site 5: bare soil. Soils were sampled at different layers. A regular 40-point (5×8 m) grid, with a minimum separation distance of 1m, was installed at each site to quantify the spatial variability of carbon exchange, soil moisture and temperature. Vegetation characteristics showed closer relation with soil development across the studied sites. ER reached 2.26μmolCO2m(-2)s(-1) in site 3, where ST was higher (7.53°C). A greater sink effect was revealed in site 4 (net uptake of 1.54μmolCO2m(-2)s(-1)) associated with higher SM (0.32m(3)m(-3)). Spherical models were fitted to describe all experimental semivariograms. Results indicate that ST and SM are directly related to the spatial variability of CO2 exchange. Heterogeneous vegetation patches showed smaller range values. Overall, poorly drained terrestrial ecosystems act as CO2 sink. Conversely, where ER is more pronounced, they are associated with intense soil carbon mineralization. The formations of new ice-free areas, depending on the local soil drainage condition, have an important effect on CO2 exchange. With increasing ice/snow melting, and resulting widespread waterlogging, increasing CO2 sink in terrestrial ecosystems is expected for Maritime Antarctica. Copyright © 2016 Elsevier B.V. All rights reserved.

CO2 exchange in the Hudson Bay lowlands: Community characteristics and multispectral reflectance properties

NASA Technical Reports Server (NTRS)

Whiting, Gary J.

1994-01-01

Net ecosystem CO2 exchange was measured during the 1990 growing season (June to August) along a transect starting 10 km inland from James Bay and extending 100 km interior to Kinosheo Lake, Ontario. Sites were chosen in three distinct areas: a coastal fen, an interior fen, and a bog. For the most productive sites in the bog, net daily uptake rates reached a maximum of 2.5 g C-CO2 m(exp -2)/d with an area-weighted exchange of 0.3 g C-CO2 m(exp -2)/d near midsummer. This site was estimated to be a net carbon source of 9 g C-CO2 m(exp -2) to the atmosphere over a 153-day growing season. The interior fen was less productive on a daily basis with a net maximum uptake of 0.5 g C-CO2 m(exp -2)/d and with corresponding area-weighted uptake of 0.1 g C-CO2 m(exp -2)/d during midsummer. Early and late season release of carbon to the atmosphere resulted in a net loss of 21 g C-CO2 m(exp -2) over the growing season from this site. The coastal fen was the most productive site with uptake rates peaking near 1.7 g C-CO2 m(exp -2)/d which corresponded to an area-weighted uptake of 0.8 g C-CO2 m(exp -2)/d during midsummer and an estimated net uptake of 6 g C-CO2 m(exp -2) for the growing season. Associated with net CO2 exchange measurements, multispectral reflectance properties of the sites were measured over the growing season using portable radiometers. These properties were related to exchange rates with the goal of examining the potential for satellite remote sensing to monitor biosphere/atmosphere CO2 exchange in this biome. The normalized difference vegetation index (NDVI) computed from surface reflectance was correlated with net CO2 exchange for all sites with the exception of areas with large proportions of Sphagnum moss cover. These mosses have greater near-infrared reflectance than typical surrounding vegetation and may require special adjustment for regional exchange/remote sensing applications.

Cesium migration in Hanford sediment: a multisite cation exchange model based on laboratory transport experiments.

PubMed

Steefel, Carl I; Carroll, Susan; Zhao, Pihong; Roberts, Sarah

2003-12-01

Cs+ transport experiments carried out in columns packed with uncontaminated Hanford formation sediment from the SX tank farm provide strong support for the use of a multisite, multicomponent cation exchange model to describe Cs+ migration in the Hanford vadose zone. The experimental results indicate a strong dependence of the effective Cs+ Kd on the concentrations of other cations, including Na+ that is present at high to extremely high concentrations in fluids leaking from the Hanford SX tanks. A strong dependence of the Cs+ Kd on the aqueous Cs+ concentration is also apparent, with retardation of Cs+ increasing from a value of 41 at a Cs+ concentration of 10(-4) M in the feed solution to as much as 282 at a Cs+ concentration of 5x10(-7) M, all in a background of 1 M NaNO3. The total cation exchange capacity (CEC) of the Hanford sediment was determined using 22Na isotopic equilibrium exchange in a flow-through column experiment. The value for the CEC of 120 microeq/g determined with this method is compatible with a value of 121.9 microeq/g determined by multi-cation elution. While two distinct exchange sites were proposed by Zachara et al. [Geochim. Cosmochim. Acta 66 (2002) 193] based on binary batch exchange experiments, a third site is proposed in this study to improve the fit of the Cs+-Na+ and Cs+-Ca+ exchange data and to capture self-sharpened Cs+ breakthrough curves at low concentrations of Cs+. Two of the proposed exchange sites represent frayed edge sites (FES) on weathered micas and constitute 0.02% and 0.22% of the total CEC. Both of the FES show a very strong selectivity for Cs+ over Na+ (K(Na-Cs)=10(7.22) and 10(4.93), respectively). The third site, accounting for over 99% of the total CEC, is associated with planar sites on expansible clays and shows a smaller Na+-Cs+ selectivity coefficient of 10(1.99). Parameters derived from a fit of binary batch experiments alone tend to under predict Cs+ retardation in the column experiments. The transport experiments indicate 72-90% of the Cs+ sorbed in experiments targeting exchange on FES was desorbed over a 10- and 24-day period, respectively. At high Cs+ concentrations, where sorption is controlled primarily by exchange on planar sites, 95% of the Cs+ desorption was desorbed. Most of the difficulty in desorbing Cs+ from FES is a result of the extremely high selectivity of these sites for Cs+, although truly irreversible sorption as high as 23% was suggested in one experiment. The conclusion that Cs+ exchange is largely reversible in a thermodynamic sense is supported by the ability to match Cs+ desorption curves almost quantitatively with an equilibrium reactive transport simulation. The model for Cs+ retardation developed here qualitatively explains the behavior of Cs+ in the Hanford vadose zone underneath a variety of leaking tanks with differing salt concentrations. The high selectivity of FES for Cs+ implies that future desorption and migration is very unlikely to occur under natural recharge conditions.

Remediating radium contaminated legacy sites: Advances made through machine learning in routine monitoring of "hot" particles.

PubMed

Varley, Adam; Tyler, Andrew; Smith, Leslie; Dale, Paul; Davies, Mike

2015-07-15

The extensive use of radium during the 20th century for industrial, military and pharmaceutical purposes has led to a large number of contaminated legacy sites across Europe and North America. Sites that pose a high risk to the general public can present expensive and long-term remediation projects. Often the most pragmatic remediation approach is through routine monitoring operating gamma-ray detectors to identify, in real-time, the signal from the most hazardous heterogeneous contamination (hot particles); thus facilitating their removal and safe disposal. However, current detection systems do not fully utilise all spectral information resulting in low detection rates and ultimately an increased risk to the human health. The aim of this study was to establish an optimised detector-algorithm combination. To achieve this, field data was collected using two handheld detectors (sodium iodide and lanthanum bromide) and a number of Monte Carlo simulated hot particles were randomly injected into the field data. This allowed for the detection rate of conventional deterministic (gross counts) and machine learning (neural networks and support vector machines) algorithms to be assessed. The results demonstrated that a Neural Network operated on a sodium iodide detector provided the best detection capability. Compared to deterministic approaches, this optimised detection system could detect a hot particle on average 10cm deeper into the soil column or with half of the activity at the same depth. It was also found that noise presented by internal contamination restricted lanthanum bromide for this application. Copyright © 2015. Published by Elsevier B.V.

Effect of magnetic exchange, double exchange, vibronic coupling, and asymmetry on magnetic properties in d2-d3 mixed-valence dimers

NASA Astrophysics Data System (ADS)

Yang, Xiaohua; Hu, Haiquan; Chen, Zhida

The effect of magnetic exchange, double exchange, vibronic coupling, and asymmetry on magnetic properties of d2-d3 systems is discussed. The temperature-dependent magnetic moment was calculated with the semiclassical adiabatic approach. The results show that the vibronic coupling from the out-of-phase breathing vibration on the metal sites (Piepho, Krausz, and Schatz [PKS] model) and the vibronic coupling from the stretching vibration between the metal sites (P model) favor the localization and delocalization of the "extra" electron in mixed-valence dimers, respectively. The magnetic properties are determined by the interplay among magnetic exchange, double exchange, and vibronic coupling. The results obtained by analyzing d2-d3 systems can be generalized to other full delocalized dinuclear mixed valence systems with a unique transferable electron.

Observed and modeled carbon and energy fluxes for agricultural sites under North American Carbon Program site-level interim synthesis

NASA Astrophysics Data System (ADS)

Lokupitiya, E. Y.; Denning, A.

2010-12-01

Croplands are unique, man-made ecosystems with dynamics mostly dependent on human decisions. Crops uptake a significant amount of Carbon dioxide (CO2) during their short growing seasons. Reliability of the available models to predict the carbon exchanges by croplands is important in estimating the cropland contribution towards overall land-atmosphere carbon exchange and global carbon cycle. The energy exchanges from croplands include both sensible and latent heat fluxes. This study focuses on analyzing the performance of 19 land surface models across five agricultural sites under the site-level interim synthesis of North American Carbon Program (NACP). Model simulations were performed using a common simulation protocol and input data, including gap-filled meteorological data corresponding to each site. The net carbon fluxes (i.e. net ecosystem exchange; NEE) and energy fluxes (sensible and latent heat) predicted by 12 models with sub-hourly/hourly temporal resolution and 7 models with daily temporal resolution were compared against the site-specific gap-filled observed flux tower data. Comparisons were made by site and crop type (i.e. maize, soybean, and wheat), mainly focusing on the coefficient of determination, correlation, root mean square error, and standard deviation. Analyses also compared the diurnal, seasonal, and inter-annual variability of the modeled fluxes against the observed data and the mean modeled data.

75 FR 5637 - Bureau of Educational and Cultural Affairs; Secondary School Student Sponsor On-Site Reviews

Federal Register 2010, 2011, 2012, 2013, 2014

2010-02-03

... School Student Sponsor On-Site Reviews ACTION: Notice. SUMMARY: The Department has designated United States organizations to conduct Secondary School Student exchange programs since 1949, following passage... foreign exchange students have lived in and learned about America through these Secondary School Student...

COUNTER-DIFFUSION OF ISOTOPICALLY LABELED TRICHLOROETHYLENE IN SILICA GEL AND GEOSORBENT MICROPORES: COLUMN RESULTS. (R822626)

EPA Science Inventory

To investigate counter-diffusion in microporous sorbents, the rate of
exchange between deuterated trichloroethylene (DTCE) in fast desorbing sites and
nondeuterated TCE (¹HTCE) in slow desorbing sites was measured.
Exchange rates were measured for a sili...

Ion exchange polymers for anion separations

DOEpatents

Jarvinen, Gordon D.; Marsh, S. Fredric; Bartsch, Richard A.

1997-01-01

Anion exchange resins including at least two positively charged sites and a ell-defined spacing between the positive sites are provided together with a process of removing anions or anionic metal complexes from aqueous solutions by use of such resins. The resins can be substituted poly(vinylpyridine) and substituted polystyrene.

47 CFR 90.675 - Information exchange.

Code of Federal Regulations, 2010 CFR

2010-10-01

... business days before a new cell site is activated or an existing cell site is modified: (1) Location; (2... believes a proposed cell will generate unacceptable interference; (2) Permit ESMR or part 22 Cellular... cell is activated. (c) Public safety information exchange. (1) Upon request by an ESMR or part 22...

Spatiotemporally‐Resolved Air Exchange Rate as a Modifier of Acute Air Pollution‐Related Morbidity in AtlantaMorbidity in Atlanta

EPA Science Inventory

Epidemiological studies frequently use central site concentrations as surrogates of exposure to air pollutants. Variability in air pollutant infiltration due to differential air exchange rates (AERs) is potentially a major factor affecting the relationship between central site c...

Ion exchange polymers for anion separations

DOEpatents

Jarvinen, G.D.; Marsh, S.F.; Bartsch, R.A.

1997-09-23

Anion exchange resins including at least two positively charged sites and a well-defined spacing between the positive sites are provided together with a process of removing anions or anionic metal complexes from aqueous solutions by use of such resins. The resins can be substituted poly(vinylpyridine) and substituted polystyrene.

Lévy-like behaviour in deterministic models of intelligent agents exploring heterogeneous environments

NASA Astrophysics Data System (ADS)

Boyer, D.; Miramontes, O.; Larralde, H.

2009-10-01

Many studies on animal and human movement patterns report the existence of scaling laws and power-law distributions. Whereas a number of random walk models have been proposed to explain observations, in many situations individuals actually rely on mental maps to explore strongly heterogeneous environments. In this work, we study a model of a deterministic walker, visiting sites randomly distributed on the plane and with varying weight or attractiveness. At each step, the walker minimizes a function that depends on the distance to the next unvisited target (cost) and on the weight of that target (gain). If the target weight distribution is a power law, p(k) ~ k-β, in some range of the exponent β, the foraging medium induces movements that are similar to Lévy flights and are characterized by non-trivial exponents. We explore variations of the choice rule in order to test the robustness of the model and argue that the addition of noise has a limited impact on the dynamics in strongly disordered media.

A Deterministic Model to Quantify Risk and Guide Mitigation Strategies to Reduce Bluetongue Virus Transmission in California Dairy Cattle

PubMed Central

Mayo, Christie; Shelley, Courtney; MacLachlan, N. James; Gardner, Ian; Hartley, David; Barker, Christopher

2016-01-01

The global distribution of bluetongue virus (BTV) has been changing recently, perhaps as a result of climate change. To evaluate the risk of BTV infection and transmission in a BTV-endemic region of California, sentinel dairy cows were evaluated for BTV infection, and populations of Culicoides vectors were collected at different sites using carbon dioxide. A deterministic model was developed to quantify risk and guide future mitigation strategies to reduce BTV infection in California dairy cattle. The greatest risk of BTV transmission was predicted within the warm Central Valley of California that contains the highest density of dairy cattle in the United States. Temperature and parameters associated with Culicoides vectors (transmission probabilities, carrying capacity, and survivorship) had the greatest effect on BTV’s basic reproduction number, R0. Based on these analyses, optimal control strategies for reducing BTV infection risk in dairy cattle will be highly reliant upon early efforts to reduce vector abundance during the months prior to peak transmission. PMID:27812161

Experimental realization of real-time feedback-control of single-atom arrays

NASA Astrophysics Data System (ADS)

Kim, Hyosub; Lee, Woojun; Ahn, Jaewook

2016-05-01

Deterministic loading of neutral atoms on particular locations has remained a challenging problem. Here we show, in a proof-of-principle experimental demonstration, that such deterministic loading can be achieved by rearrangement of atoms. In the experiment, cold rubidium atom were trapped by optical tweezers, which are the hologram images made by a liquid-crystal spatial light modulator (LC-SLM). After the initial occupancy was identified, the hologram was actively controlled to rearrange the captured atoms on to unfilled sites. For this, we developed a new flicker-free hologram algorithm that enables holographic atom translation. Our demonstration show that up to N=9 atoms were simultaneously moved in the 2D plane with the movable degrees of freedom of 2N=18 and the fidelity of 99% for single-atom 5- μm translation. It is hoped that our in situ atom rearrangement becomes useful in scaling quantum computers. Samsung Science and Technology Foundation [SSTF-BA1301-12].

Health information exchange usage in emergency departments and clinics: the who, what, and why.

PubMed

Johnson, Kevin B; Unertl, Kim M; Chen, Qingxia; Lorenzi, Nancy M; Nian, Hui; Bailey, James; Frisse, Mark

2011-01-01

Health information exchange (HIE) systems are being developed across the nation. Understanding approaches taken by existing successful exchanges can help new exchange efforts determine goals and plan implementations. The goal of this study was to explore characteristics of use and users of a successful regional HIE. We used a mixed-method analysis, consisting of cross-sectional audit log data, semi-structured interviews, and direct observation in a sample of emergency departments and ambulatory safety net clinics actively using HIE. For each site, we measured overall usage trends, user logon statistics, and data types accessed by users. We also assessed reasons for use and outcomes of use. Overall, users accessed HIE for 6.8% of all encounters, with higher rates of access for repeat visits, for patients with comorbidities, for patients known to have data in the exchange, and at sites providing HIE access to both nurses and physicians. Discharge summaries and test reports were the most frequently accessed data in the exchange. Providers consistently noted retrieving additional history, preventing repeat tests, comparing new results to retrieved results, and avoiding hospitalizations as a consequence of HIE access. HIE use in emergency departments and ambulatory clinics was focused on patients where missing information was believed to be present in the exchange and was related to factors including the roles of people with access, the setting, and other site-specific issues that impacted the overall breadth of routine system use. These data should form an important foundation as other sites embark upon HIE implementation.

Precise determination of water exchanges on a mineral surface

DOE PAGES

Stack, Andrew G.; Borreguero, Jose M.; Prisk, Timothy R.; ...

2016-10-03

Solvent exchanges on solid surfaces and dissolved ions are a fundamental property important for understanding chemical reactions, but the rates of fast exchanges are poorly constrained. In this paper, we probed the diffusional motions of water adsorbed onto nanoparticles of the mineral barite (BaSO 4) using quasi-elastic neutron scattering (QENS) and classical molecular dynamics (MD) to reveal the complex dynamics of water exchange along mineral surfaces. QENS data as a function of temperature and momentum transfer (Q) were fit using scattering functions derived from MD trajectories. The simulations reproduce the dynamics measured in the experiments at ambient temperatures, but asmore » temperature is lowered the simulations overestimate slower motions. Decomposition of the MD-computed QENS intensity into contributions from adsorbed and unbound water shows that the majority of the signal arises from adsorbed species, although the dynamics of unbound water cannot be dismissed. The mean residence times of water on each of the four surface sites present on the barite {001} were calculated using MD: at room temperature the low barium site is 194 ps, whereas the high barium site contains two distributions of motions at 84 and 2.5 ps. These contrast to 13 ps residence time on both sulfate sites, with an additional surface diffusion exchange of 66 ps. Surface exchanges are similar to those of the aqueous ions calculated using the same force field: Ba aq 2+ is 208 ps and SO 4aq 2- is 5.8 ps. Finally, this work demonstrates how MD can be a reliable method to deconvolute solvent exchange reactions when quantitatively validated by QENS measurements.« less

Chemical restrictions of roots in Ultisol subsoils lessened by long-term management

NASA Technical Reports Server (NTRS)

Hardy, D. H.; Raper, C. D. Jr; Miner, G. S.; Raper CD, J. r. (Principal Investigator)

1990-01-01

Exchangeable Al in subsoils of Ultisols in the southeastern USA can restrict rooting depth. Downward movement of basic cations (Ca, Mg, and K), applied as lime and fertilizer, may diminish that restriction over time. Materials from the argillic horizon were collected from three paired sites, having managed (long-term cropping) and nonmanaged topsoils (Typic Paleudults and Hapludults). One managed site was cropped continuously for 15 yr while the others were cultivated for more than 30 yr. Concentrations of extractable cations and other nutrients from the paired sites were compared to determine the magnitude of change due to management. The ability of the subsoils to support plant growth was evaluated in a missing-nutrient greenhouse experiment with sorghum [Sorghum bicolor (L.) Moench]. Subsoils of managed sites had greater effective cation-exchange capacity (CEC) and base saturation than those of non-managed sites. While availabilities of Ca, Mg, and K in subsoils of nonmanaged sites were inadequate to support maximal plant growth, they were adequate in subsoils of managed sites. Compared with nonmanaged sites, KCl-exchangeable Al in subsoils of managed sites was 23% lower at the 15-yr location and 65 and 100% lower at the two other locations. In the absence of lime, sorghum growth was almost totally inhibited on nonmanaged subsoils amended with optimum nutrients. On the managed subsoils, where 100, 65, and 23% of the nonmanaged exchangeable Al had been neutralized by topsoil fertilization and liming, growth reductions under the same conditions were 0, 50, and 100%, respectively. Thus, relatively long-term management had improved these Ultisol subsoils for root growth and development.

Intermixing enables strong exchange coupling in nanocomposites: Magnetism through the interfacial ferrite in γ -Fe2O3/NiO

NASA Astrophysics Data System (ADS)

Skoropata, E.; Su, T. T.; Ouyang, H.; Freeland, J. W.; van Lierop, J.

2017-07-01

γ -Fe2O3 particles, surface modified with NiO crystallites, form a unique nanocomposite that points to how to tune strong interfacial exchange coupling. We find that Ni2 + migrates into the octahedral sites of the γ -Fe2O3 nanoparticle surface, and this NiFe2O4 -like layer permits effective magnetic coupling of Ni and Fe sites that strengthens the interface exchange. A large increase in coercivity coinciding with a loss of exchange bias is achieved by this strong interfacial coupling that results in a Ni2 + moment reversal in the NiO with the γ -Fe2O3 . This work reveals the importance of intermixing in, and possibility to use, such an exchange coupling regime to alter substantially the coercivity and hence control an important property of exchange-coupled nanocomposite magnets.

Structural Dynamics Control Allosteric Activation of Cytohesin Family Arf GTPase Exchange Factors

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

Malaby, Andrew W.; Das, Sanchaita; Chakravarthy, Srinivas

Membrane dynamic processes including vesicle biogenesis depend on Arf guanosine triphosphatase (GTPase) activation by guanine nucleotide exchange factors (GEFs) containing a catalytic Sec7 domain and a membrane-targeting module such as a pleckstrin homology (PH) domain. The catalytic output of cytohesin family Arf GEFs is controlled by autoinhibitory interactions that impede accessibility of the exchange site in the Sec7 domain. These restraints can be relieved through activator Arf-GTP binding to an allosteric site comprising the PH domain and proximal autoinhibitory elements (Sec7-PH linker and C-terminal helix). Small-angle X-ray scattering and negative-stain electron microscopy were used to investigate the structural organization andmore » conformational dynamics of cytohesin-3 (Grp1) in autoinhibited and active states. The results support a model in which hinge dynamics in the autoinhibited state expose the activator site for Arf-GTP binding, while subsequent C-terminal helix unlatching and repositioning unleash conformational entropy in the Sec7-PH linker to drive exposure of the exchange site.« less

Seismic Hazard Assessment for a Characteristic Earthquake Scenario: Probabilistic-Deterministic Method

NASA Astrophysics Data System (ADS)

mouloud, Hamidatou

2016-04-01

The objective of this paper is to analyze the seismic activity and the statistical treatment of seismicity catalog the Constantine region between 1357 and 2014 with 7007 seismic event. Our research is a contribution to improving the seismic risk management by evaluating the seismic hazard in the North-East Algeria. In the present study, Earthquake hazard maps for the Constantine region are calculated. Probabilistic seismic hazard analysis (PSHA) is classically performed through the Cornell approach by using a uniform earthquake distribution over the source area and a given magnitude range. This study aims at extending the PSHA approach to the case of a characteristic earthquake scenario associated with an active fault. The approach integrates PSHA with a high-frequency deterministic technique for the prediction of peak and spectral ground motion parameters in a characteristic earthquake. The method is based on the site-dependent evaluation of the probability of exceedance for the chosen strong-motion parameter. We proposed five sismotectonique zones. Four steps are necessary: (i) identification of potential sources of future earthquakes, (ii) assessment of their geological, geophysical and geometric, (iii) identification of the attenuation pattern of seismic motion, (iv) calculation of the hazard at a site and finally (v) hazard mapping for a region. In this study, the procedure of the earthquake hazard evaluation recently developed by Kijko and Sellevoll (1992) is used to estimate seismic hazard parameters in the northern part of Algeria.

Structural Deterministic Safety Factors Selection Criteria and Verification

NASA Technical Reports Server (NTRS)

Verderaime, V.

1992-01-01

Though current deterministic safety factors are arbitrarily and unaccountably specified, its ratio is rooted in resistive and applied stress probability distributions. This study approached the deterministic method from a probabilistic concept leading to a more systematic and coherent philosophy and criterion for designing more uniform and reliable high-performance structures. The deterministic method was noted to consist of three safety factors: a standard deviation multiplier of the applied stress distribution; a K-factor for the A- or B-basis material ultimate stress; and the conventional safety factor to ensure that the applied stress does not operate in the inelastic zone of metallic materials. The conventional safety factor is specifically defined as the ratio of ultimate-to-yield stresses. A deterministic safety index of the combined safety factors was derived from which the corresponding reliability proved the deterministic method is not reliability sensitive. The bases for selecting safety factors are presented and verification requirements are discussed. The suggested deterministic approach is applicable to all NASA, DOD, and commercial high-performance structures under static stresses.

Deuterium enrichment of polycyclic aromatic hydrocarbons by photochemically induced exchange with deuterium-rich cosmic ices

NASA Technical Reports Server (NTRS)

Sandford, S. A.; Bernstein, M. P.; Allamandola, L. J.; Gillette, J. S.; Zare, R. N.

2000-01-01

The polycyclic aromatic hydrocarbon (PAH) coronene (C24H12) frozen in D2O ice in a ratio of less than 1 part in 500 rapidly exchanges its hydrogen atoms with the deuterium in the ice at interstellar temperatures and pressures when exposed to ultraviolet radiation. Exchange occurs via three different chemical processes: D atom addition, D atom exchange at oxidized edge sites, and D atom exchange at aromatic edge sites. Observed exchange rates for coronene (C24H12)-D2O and d12-coronene (C24D12)-H2O isotopic substitution experiments show that PAHs in interstellar ices could easily attain the D/H levels observed in meteorites. These results may have important consequences for the abundance of deuterium observed in aromatic materials in the interstellar medium and in meteorites. These exchange mechanisms produce deuteration in characteristic molecular locations on the PAHs that may distinguish them from previously postulated processes for D enrichment of PAHs.

Health economic evaluation of Human Papillomavirus vaccines in women from Venezuela by a lifetime Markov cohort model.

PubMed

Bardach, Ariel Esteban; Garay, Osvaldo Ulises; Calderón, María; Pichón-Riviére, Andrés; Augustovski, Federico; Martí, Sebastián García; Cortiñas, Paula; Gonzalez, Marino; Naranjo, Laura T; Gomez, Jorge Alberto; Caporale, Joaquín Enzo

2017-02-02

Cervical cancer (CC) and genital warts (GW) are a significant public health issue in Venezuela. Our objective was to assess the cost-effectiveness of the two available vaccines, bivalent and quadrivalent, against Human Papillomavirus (HPV) in Venezuelan girls in order to inform decision-makers. A previously published Markov cohort model, informed by the best available evidence, was adapted to the Venezuelan context to evaluate the effects of vaccination on health and healthcare costs from the perspective of the healthcare payer in an 11-year-old girls cohort of 264,489. Costs and quality-adjusted life years (QALYs) were discounted at 5%. Eight scenarios were analyzed to depict the cost-effectiveness under alternative vaccine prices, exchange rates and dosing schemes. Deterministic and probabilistic sensitivity analyses were performed. Compared to screening only, the bivalent and quadrivalent vaccines were cost-saving in all scenarios, avoiding 2,310 and 2,143 deaths, 4,781 and 4,431 CCs up to 18,459 GW for the quadrivalent vaccine and gaining 4,486 and 4,395 discounted QALYs respectively. For both vaccines, the main determinants of variations in the incremental costs-effectiveness ratio after running deterministic and probabilistic sensitivity analyses were transition probabilities, vaccine and cancer-treatment costs and HPV 16 and 18 distribution in CC cases. When comparing vaccines, none of them was consistently more cost-effective than the other. In sensitivity analyses, for these comparisons, the main determinants were GW incidence, the level of cross-protection and, for some scenarios, vaccines costs. Immunization with the bivalent or quadrivalent HPV vaccines showed to be cost-saving or cost-effective in Venezuela, falling below the threshold of one Gross Domestic Product (GDP) per capita (104,404 VEF) per QALY gained. Deterministic and probabilistic sensitivity analyses confirmed the robustness of these results.

What drives the seasonal pattern of δ13C in the net land-atmosphere CO2 exchange across the United States?

NASA Astrophysics Data System (ADS)

Raczka, B. M.; Dlugokencky, E. J.; Ehleringer, J. R.; Lai, C. T.; Pataki, D. E.; Saleska, S. R.; Torn, M. S.; Vaughn, B. H.; Wehr, R. A.; Bowling, D. R.

2016-12-01

The seasonal pattern of δ13C of atmospheric CO2 depends upon both local and non-local land-atmosphere exchange and atmospheric transport. It has been suggested that the seasonal pattern is driven primarily from local variation in the δ13C of the net CO2 flux (exchange between vegetation and the atmosphere) as a result of variation of stomatal conductance of the vegetation. Here we study local variation of δ13C of the land-atmosphere exchange at 7 sites across the United States representing forests (Harvard, Howland, Niwot Ridge, Wind River), grasslands (Southern Great Plains, Rannell Prairie) and an urban center (Salt Lake City). Using a simple 2-part mixing model with background corrections we find that the δ13C of the net exchange of CO2 was most enriched at the grassland sites (-18.9 o/oo), and most depleted at the urban site (-29.6 o/oo) due to the contribution of C4 photosynthesis and fossil fuel emissions, respectively. The amplitude of the seasonal cycle was most pronounced at the C3/C4 grassland and the urban sites. In contrast, the forested sites have a reduced seasonal cycle, and remain almost constant during the growing season (0.49 o/oo change). Furthermore, by accounting for relatively fast δ13C variations in non-local sources at Niwot Ridge we find that the seasonal pattern in δ13C of net exchange is eliminated altogether. These results support the idea that a coherent, global seasonal pattern in δ13C of net exchange is influenced by seasonal transitions in C3/C4 grass, and the intensity and seasonal timing of fossil fuel emissions. This will have important implications for studies that use δ13C to constrain large-scale carbon fluxes.

Multiple scattering of waves in random media: Application to the study of the city-site effect in Mexico City area.

NASA Astrophysics Data System (ADS)

Ishizawa, O. A.; Clouteau, D.

2007-12-01

Long-duration, amplifications and spatial response's variability of the seismic records registered in Mexico City during the September 1985 earthquake cannot only be explained by the soil velocity model. We will try to explain these phenomena by studying the extent of the effect of buildings' diffracted wave fields during an earthquake. The main question is whether the presence of a large number of buildings can significantly modify the seismic wave field. We are interested in the interaction between the incident wave field propagating in a stratified half- space and a large number of structures at the free surface, i.e., the coupled city-site effect. We study and characterize the seismic wave propagation regimes in a city using the theory of wave propagation in random media. In the coupled city-site system, the buildings are modeled as resonant scatterers uniformly distributed at the surface of a deterministic, horizontally layered elastic half-space representing the soil. Based on the mean-field and the field correlation equations, we build a theoretical model which takes into account the multiple scattering of seismic waves and allows us to describe the coupled city-site system behavior in a simple and rapid way. The results obtained for the configurationally averaged field quantities are validated by means of 3D results for the seismic response of a deterministic model. The numerical simulations of this model are computed with MISS3D code based on classical Soil-Structure Interaction techniques and on a variational coupling between Boundary Integral Equations for a layered soil and a modal Finite Element approach for the buildings. This work proposes a detailed numerical and a theoretical analysis of the city-site interaction (CSI) in Mexico City area. The principal parameters in the study of the CSI are the buildings resonant frequency distribution, the soil characteristics of the site, the urban density and position of the buildings in the city, as well as the type of incident wave. The main results of the theoretical and numerical models allow us to characterize the seismic movement in urban areas.

Regio-Selective Intramolecular Hydrogen/Deuterium Exchange in Gas-Phase Electron Transfer Dissociation

NASA Astrophysics Data System (ADS)

Hamuro, Yoshitomo

2017-05-01

Protein backbone amide hydrogen/deuterium exchange mass spectrometry (HDX-MS) typically utilizes enzymatic digestion after the exchange reaction and before MS analysis to improve data resolution. Gas-phase fragmentation of a peptic fragment prior to MS analysis is a promising technique to further increase the resolution. The biggest technical challenge for this method is elimination of intramolecular hydrogen/deuterium exchange (scrambling) in the gas phase. The scrambling obscures the location of deuterium. Jørgensen's group pioneered a method to minimize the scrambling in gas-phase electron capture/transfer dissociation. Despite active investigation, the mechanism of hydrogen scrambling is not well-understood. The difficulty stems from the fact that the degree of hydrogen scrambling depends on instruments, various parameters of mass analysis, and peptide analyzed. In most hydrogen scrambling investigations, the hydrogen scrambling is measured by the percentage of scrambling in a whole molecule. This paper demonstrates that the degree of intramolecular hydrogen/deuterium exchange depends on the nature of exchangeable hydrogen sites. The deuterium on Tyr amide of neurotensin (9-13), Arg-Pro-Tyr-Ile-Leu, migrated significantly faster than that on Ile or Leu amides, indicating the loss of deuterium from the original sites is not mere randomization of hydrogen and deuterium but more site-specific phenomena. This more precise approach may help understand the mechanism of intramolecular hydrogen exchange and provide higher confidence for the parameter optimization to eliminate intramolecular hydrogen/deuterium exchange during gas-phase fragmentation.

Regio-Selective Intramolecular Hydrogen/Deuterium Exchange in Gas-Phase Electron Transfer Dissociation.

PubMed

Hamuro, Yoshitomo

2017-05-01

Protein backbone amide hydrogen/deuterium exchange mass spectrometry (HDX-MS) typically utilizes enzymatic digestion after the exchange reaction and before MS analysis to improve data resolution. Gas-phase fragmentation of a peptic fragment prior to MS analysis is a promising technique to further increase the resolution. The biggest technical challenge for this method is elimination of intramolecular hydrogen/deuterium exchange (scrambling) in the gas phase. The scrambling obscures the location of deuterium. Jørgensen's group pioneered a method to minimize the scrambling in gas-phase electron capture/transfer dissociation. Despite active investigation, the mechanism of hydrogen scrambling is not well-understood. The difficulty stems from the fact that the degree of hydrogen scrambling depends on instruments, various parameters of mass analysis, and peptide analyzed. In most hydrogen scrambling investigations, the hydrogen scrambling is measured by the percentage of scrambling in a whole molecule. This paper demonstrates that the degree of intramolecular hydrogen/deuterium exchange depends on the nature of exchangeable hydrogen sites. The deuterium on Tyr amide of neurotensin (9-13), Arg-Pro-Tyr-Ile-Leu, migrated significantly faster than that on Ile or Leu amides, indicating the loss of deuterium from the original sites is not mere randomization of hydrogen and deuterium but more site-specific phenomena. This more precise approach may help understand the mechanism of intramolecular hydrogen exchange and provide higher confidence for the parameter optimization to eliminate intramolecular hydrogen/deuterium exchange during gas-phase fragmentation. Graphical Abstract ᅟ.

Terrestrial carbon balance in a drier world: the effects of water availability in southwestern North America.

PubMed

Biederman, Joel A; Scott, Russell L; Goulden, Michael L; Vargas, Rodrigo; Litvak, Marcy E; Kolb, Thomas E; Yepez, Enrico A; Oechel, Walter C; Blanken, Peter D; Bell, Tom W; Garatuza-Payan, Jaime; Maurer, Gregory E; Dore, Sabina; Burns, Sean P

2016-05-01

Global modeling efforts indicate semiarid regions dominate the increasing trend and interannual variation of net CO2 exchange with the atmosphere, mainly driven by water availability. Many semiarid regions are expected to undergo climatic drying, but the impacts on net CO2 exchange are poorly understood due to limited semiarid flux observations. Here we evaluated 121 site-years of annual eddy covariance measurements of net and gross CO2 exchange (photosynthesis and respiration), precipitation, and evapotranspiration (ET) in 21 semiarid North American ecosystems with an observed range of 100 - 1000 mm in annual precipitation and records of 4-9 years each. In addition to evaluating spatial relationships among CO2 and water fluxes across sites, we separately quantified site-level temporal relationships, representing sensitivity to interannual variation. Across the climatic and ecological gradient, photosynthesis showed a saturating spatial relationship to precipitation, whereas the photosynthesis-ET relationship was linear, suggesting ET was a better proxy for water available to drive CO2 exchanges after hydrologic losses. Both photosynthesis and respiration showed similar site-level sensitivity to interannual changes in ET among the 21 ecosystems. Furthermore, these temporal relationships were not different from the spatial relationships of long-term mean CO2 exchanges with climatic ET. Consequently, a hypothetical 100-mm change in ET, whether short term or long term, was predicted to alter net ecosystem production (NEP) by 64 gCm(-2) yr(-1). Most of the unexplained NEP variability was related to persistent, site-specific function, suggesting prioritization of research on slow-changing controls. Common temporal and spatial sensitivity to water availability increases our confidence that site-level responses to interannual weather can be extrapolated for prediction of CO2 exchanges over decadal and longer timescales relevant to societal response to climate change. © 2016 John Wiley & Sons Ltd.

78 FR 10649 - Self-Regulatory Organizations; BATS Y-Exchange, Inc.; Notice of Filing and Immediate...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-02-14

... Rule Change To Extend Pilot Program Related To Trading Pauses Due to Extraordinary Market Volatility... Volatility.'' The text of the proposed rule change is available at the Exchange's Web site at http://www... specified Exchange Traded Products that experience rapid price movement.\\5\\ More recently, the Exchange...

Swiss heavy goods vehicle control sites peer exchange meeting : final report.

DOT National Transportation Integrated Search

2008-05-01

On February 19, 2008, a peer exchange meeting was held in Glendale, Arizona with the intent of exchanging information on technology-based approaches supporting commercial motor vehicle enforcement. Meeting attendees included transportation and law en...

Measurement of spin-lattice relaxation times and concentrations in systems with chemical exchange using the one-pulse sequence: breakdown of the Ernst model for partial saturation in nuclear magnetic resonance spectroscopy.

PubMed

Spencer, R G; Fishbein, K W

2000-01-01

A fundamental problem in Fourier transform NMR spectroscopy is the calculation of observed resonance amplitudes for a repetitively pulsed sample, as first analyzed by Ernst and Anderson in 1966. Applications include determination of spin-lattice relaxation times (T(1)'s) by progressive saturation and correction for partial saturation in order to determine the concentrations of the chemical constituents of a spectrum. Accordingly, the Ernst and Anderson formalism has been used in innumerable studies of chemical and, more recently, physiological systems. However, that formalism implicitly assumes that no chemical exchange occurs. Here, we present an analysis of N sites in an arbitrary chemical exchange network, explicitly focusing on the intermediate exchange rate regime in which the spin-lattice relaxation rates and the chemical exchange rates are comparable in magnitude. As a special case of particular importance, detailed results are provided for a system with three sites undergoing mutual exchange. Specific properties of the N-site network are then detailed. We find that (i) the Ernst and Anderson analysis describing the response of a system to repetitive pulsing is inapplicable to systems with chemical exchange and can result in large errors in T(1) and concentration measurements; (ii) T(1)'s for systems with arbitrary exchange networks may still be correctly determined from a one-pulse experiment using the Ernst formula, provided that a short interpulse delay time and a large flip angle are used; (iii) chemical concentrations for exchanging systems may be correctly determined from a one-pulse experiment either by using a short interpulse delay time with a large flip angle, as for measuring T(1)'s, and correcting for partial saturation by use of the Ernst formula, or directly by using a long interpulse delay time to avoid saturation; (iv) there is a significant signal-to-noise penalty for performing one-pulse experiments under conditions which permit accurate measurements of T(1)'s and chemical concentrations. The present results are analogous to but are much more general than those that we have previously derived for systems with two exchanging sites. These considerations have implications for the design and interpretation of one-pulse experiments for all systems exhibiting chemical exchange in the intermediate exchange regime, including virtually all physiologic samples.

Spatio-Temporal Data Analysis at Scale Using Models Based on Gaussian Processes

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

Stein, Michael

Gaussian processes are the most commonly used statistical model for spatial and spatio-temporal processes that vary continuously. They are broadly applicable in the physical sciences and engineering and are also frequently used to approximate the output of complex computer models, deterministic or stochastic. We undertook research related to theory, computation, and applications of Gaussian processes as well as some work on estimating extremes of distributions for which a Gaussian process assumption might be inappropriate. Our theoretical contributions include the development of new classes of spatial-temporal covariance functions with desirable properties and new results showing that certain covariance models lead tomore » predictions with undesirable properties. To understand how Gaussian process models behave when applied to deterministic computer models, we derived what we believe to be the first significant results on the large sample properties of estimators of parameters of Gaussian processes when the actual process is a simple deterministic function. Finally, we investigated some theoretical issues related to maxima of observations with varying upper bounds and found that, depending on the circumstances, standard large sample results for maxima may or may not hold. Our computational innovations include methods for analyzing large spatial datasets when observations fall on a partially observed grid and methods for estimating parameters of a Gaussian process model from observations taken by a polar-orbiting satellite. In our application of Gaussian process models to deterministic computer experiments, we carried out some matrix computations that would have been infeasible using even extended precision arithmetic by focusing on special cases in which all elements of the matrices under study are rational and using exact arithmetic. The applications we studied include total column ozone as measured from a polar-orbiting satellite, sea surface temperatures over the Pacific Ocean, and annual temperature extremes at a site in New York City. In each of these applications, our theoretical and computational innovations were directly motivated by the challenges posed by analyzing these and similar types of data.« less

Computing exponentially faster: implementing a non-deterministic universal Turing machine using DNA

PubMed Central

Currin, Andrew; Korovin, Konstantin; Ababi, Maria; Roper, Katherine; Kell, Douglas B.; Day, Philip J.

2017-01-01

The theory of computer science is based around universal Turing machines (UTMs): abstract machines able to execute all possible algorithms. Modern digital computers are physical embodiments of classical UTMs. For the most important class of problem in computer science, non-deterministic polynomial complete problems, non-deterministic UTMs (NUTMs) are theoretically exponentially faster than both classical UTMs and quantum mechanical UTMs (QUTMs). However, no attempt has previously been made to build an NUTM, and their construction has been regarded as impossible. Here, we demonstrate the first physical design of an NUTM. This design is based on Thue string rewriting systems, and thereby avoids the limitations of most previous DNA computing schemes: all the computation is local (simple edits to strings) so there is no need for communication, and there is no need to order operations. The design exploits DNA's ability to replicate to execute an exponential number of computational paths in P time. Each Thue rewriting step is embodied in a DNA edit implemented using a novel combination of polymerase chain reactions and site-directed mutagenesis. We demonstrate that the design works using both computational modelling and in vitro molecular biology experimentation: the design is thermodynamically favourable, microprogramming can be used to encode arbitrary Thue rules, all classes of Thue rule can be implemented, and non-deterministic rule implementation. In an NUTM, the resource limitation is space, which contrasts with classical UTMs and QUTMs where it is time. This fundamental difference enables an NUTM to trade space for time, which is significant for both theoretical computer science and physics. It is also of practical importance, for to quote Richard Feynman ‘there's plenty of room at the bottom’. This means that a desktop DNA NUTM could potentially utilize more processors than all the electronic computers in the world combined, and thereby outperform the world's current fastest supercomputer, while consuming a tiny fraction of its energy. PMID:28250099

Towards the simplest hydrodynamic lattice-gas model.

PubMed

Boghosian, Bruce M; Love, Peter J; Meyer, David A

2002-03-15

It has been known since 1986 that it is possible to construct simple lattice-gas cellular automata whose hydrodynamics are governed by the Navier-Stokes equations in two dimensions. The simplest such model heretofore known has six bits of state per site on a triangular lattice. In this work, we demonstrate that it is possible to construct a model with only five bits of state per site on a Kagome lattice. Moreover, the model has a simple, deterministic set of collision rules and is easily implemented on a computer. In this work, we derive the equilibrium distribution function for this lattice-gas automaton and carry out the Chapman-Enskog analysis to determine the form of the Navier-Stokes equations.

A review of recent advances in the spherical harmonics expansion method for semiconductor device simulation.

PubMed

Rupp, K; Jungemann, C; Hong, S-M; Bina, M; Grasser, T; Jüngel, A

The Boltzmann transport equation is commonly considered to be the best semi-classical description of carrier transport in semiconductors, providing precise information about the distribution of carriers with respect to time (one dimension), location (three dimensions), and momentum (three dimensions). However, numerical solutions for the seven-dimensional carrier distribution functions are very demanding. The most common solution approach is the stochastic Monte Carlo method, because the gigabytes of memory requirements of deterministic direct solution approaches has not been available until recently. As a remedy, the higher accuracy provided by solutions of the Boltzmann transport equation is often exchanged for lower computational expense by using simpler models based on macroscopic quantities such as carrier density and mean carrier velocity. Recent developments for the deterministic spherical harmonics expansion method have reduced the computational cost for solving the Boltzmann transport equation, enabling the computation of carrier distribution functions even for spatially three-dimensional device simulations within minutes to hours. We summarize recent progress for the spherical harmonics expansion method and show that small currents, reasonable execution times, and rare events such as low-frequency noise, which are all hard or even impossible to simulate with the established Monte Carlo method, can be handled in a straight-forward manner. The applicability of the method for important practical applications is demonstrated for noise simulation, small-signal analysis, hot-carrier degradation, and avalanche breakdown.

The futility of utility: how market dynamics marginalize Adam Smith

NASA Astrophysics Data System (ADS)

McCauley, Joseph L.

2000-10-01

Economic theorizing is based on the postulated, nonempiric notion of utility. Economists assume that prices, dynamics, and market equilibria are supposed to be derived from utility. The results are supposed to represent mathematically the stabilizing action of Adam Smith's invisible hand. In deterministic excess demand dynamics I show the following. A utility function generally does not exist mathematically due to nonintegrable dynamics when production/investment are accounted for, resolving Mirowski's thesis. Price as a function of demand does not exist mathematically either. All equilibria are unstable. I then explain how deterministic chaos can be distinguished from random noise at short times. In the generalization to liquid markets and finance theory described by stochastic excess demand dynamics, I also show the following. Market price distributions cannot be rescaled to describe price movements as ‘equilibrium’ fluctuations about a systematic drift in price. Utility maximization does not describe equilibrium. Maximization of the Gibbs entropy of the observed price distribution of an asset would describe equilibrium, if equilibrium could be achieved, but equilibrium does not describe real, liquid markets (stocks, bonds, foreign exchange). There are three inconsistent definitions of equilibrium used in economics and finance, only one of which is correct. Prices in unregulated free markets are unstable against both noise and rising or falling expectations: Adam Smith's stabilizing invisible hand does not exist, either in mathematical models of liquid market data, or in real market data.

On Neglecting Chemical Exchange Effects When Correcting in Vivo 31P MRS Data for Partial Saturation

NASA Astrophysics Data System (ADS)

Ouwerkerk, Ronald; Bottomley, Paul A.

2001-02-01

Signal acquisition in most MRS experiments requires a correction for partial saturation that is commonly based on a single exponential model for T1 that ignores effects of chemical exchange. We evaluated the errors in 31P MRS measurements introduced by this approximation in two-, three-, and four-site chemical exchange models under a range of flip-angles and pulse sequence repetition times (TR) that provide near-optimum signal-to-noise ratio (SNR). In two-site exchange, such as the creatine-kinase reaction involving phosphocreatine (PCr) and γ-ATP in human skeletal and cardiac muscle, errors in saturation factors were determined for the progressive saturation method and the dual-angle method of measuring T1. The analysis shows that these errors are negligible for the progressive saturation method if the observed T1 is derived from a three-parameter fit of the data. When T1 is measured with the dual-angle method, errors in saturation factors are less than 5% for all conceivable values of the chemical exchange rate and flip-angles that deliver useful SNR per unit time over the range T1/5 ≤ TR ≤ 2T1. Errors are also less than 5% for three- and four-site exchange when TR ≥ T1*/2, the so-called "intrinsic" T1's of the metabolites. The effect of changing metabolite concentrations and chemical exchange rates on observed T1's and saturation corrections was also examined with a three-site chemical exchange model involving ATP, PCr, and inorganic phosphate in skeletal muscle undergoing up to 95% PCr depletion. Although the observed T1's were dependent on metabolite concentrations, errors in saturation corrections for TR = 2 s could be kept within 5% for all exchanging metabolites using a simple interpolation of two dual-angle T1 measurements performed at the start and end of the experiment. Thus, the single-exponential model appears to be reasonably accurate for correcting 31P MRS data for partial saturation in the presence of chemical exchange. Even in systems where metabolite concentrations change, accurate saturation corrections are possible without much loss in SNR.

Localized Magnetic Moments with Tunable Spin Exchange in a Gas of Ultracold Fermions

NASA Astrophysics Data System (ADS)

Riegger, L.; Darkwah Oppong, N.; Höfer, M.; Fernandes, D. R.; Bloch, I.; Fölling, S.

2018-04-01

We report on the experimental realization of a state-dependent lattice for a two-orbital fermionic quantum gas with strong interorbital spin exchange. In our state-dependent lattice, the ground and metastable excited electronic states of 173Yb take the roles of itinerant and localized magnetic moments, respectively. Repulsive on-site interactions in conjunction with the tunnel mobility lead to spin exchange between mobile and localized particles, modeling the coupling term in the well-known Kondo Hamiltonian. In addition, we find that this exchange process can be tuned resonantly by varying the on-site confinement. We attribute this to a resonant coupling to center-of-mass excited bound states of one interorbital scattering channel.

"Actually, I Wanted to Learn": Study-Related Knowledge Exchange on Social Networking Sites

ERIC Educational Resources Information Center

Wodzicki, Katrin; Schwammlein, Eva; Moskaliuk, Johannes

2012-01-01

Social media open up multiple options to add a new dimension to learning and knowledge processes. Particularly, social networking sites allow students to connect formal and informal learning settings. Students can find like-minded people and organize informal knowledge exchange for educational purposes. However, little is known about in which way…

76 FR 69786 - Self-Regulatory Organizations; Chicago Board Options Exchange, Incorporated: Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-09

... available on June 20, 2011 in the Central Registration Depository system (``WebCRD''), which is operated by... the proposed rule change is available on the Exchange's Web site ( http://www.cboe.org/legal ), at the... on the Commission's Internet Web site ( http://www.sec.gov/rules/sro.shtml ). Copies of the...

Perchlorate Removal, Destruction, and Field Monitoring Demonstration

DTIC Science & Technology

2006-10-02

ion exchange unit. A pulsation dampener minimized pressure and flow fluctuations in the ion exchange system and a flow totalizer monitored total...instrumentation and controls, piping , electrical services, site work, service facilities, engineering, construction expenses, and other indirect costs were... Piping 113,750 157,500 Electrical services 48,750 67,500 Site work 65,000 90,000

76 FR 20750 - Self-Regulatory Organizations; EDGX Exchange, Inc.; Notice of Filing and Immediate Effectiveness...

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Increments to chiral recognition facilitating enantiomer separations of chiral acids, bases, and ampholytes using Cinchona-based zwitterion exchanger chiral stationary phases.

PubMed

Wernisch, Stefanie; Pell, Reinhard; Lindner, Wolfgang

2012-07-01

The intramolecular distances of anion and cation exchanger sites of zwitterionic chiral stationary phases represent potential tuning sites for enantiomer selectivity. In this contribution, we investigate the influence of alkanesulfonic acid chain length and flexibility on enantiomer separations of chiral acids, bases, and amphoteric molecules for six Cinchona alkaloid-based chiral stationary phases in comparison with structurally related anion and cation exchangers. Employing polar-organic elution conditions, we observed an intramolecular counterion effect for acidic analytes which led to reduced retention times but did not impair enantiomer selectivities. Retention of amphoteric analytes is based on simultaneous double ion pairing of their charged functional groups with the acidic and basic sites of the zwitterionic selectors. A chiral center in the vicinity of the strong cation exchanger site is vital for chiral separations of bases. Sterically demanding side chains are beneficial for separations of free amino acids. Enantioseparations of free (un-derivatized) peptides were particularly successful in stationary phases with straight-chain alkanesulfonic acid sites, pointing to a beneficial influence of more flexible moieties. In addition, we observed pseudo-enantiomeric behavior of quinine and quinidine-derived chiral stationary phases facilitating reversal of elution orders for all analytes. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

No Evidence for Spontaneous Lipid Transfer at ER-PM Membrane Contact Sites.

PubMed

Merklinger, Elisa; Schloetel, Jan-Gero; Spitta, Luis; Thiele, Christoph; Lang, Thorsten

2016-04-01

Non-vesicular lipid transport steps play a crucial role in lipid trafficking and potentially include spontaneous exchange. Since membrane contact facilitates this lipid transfer, it is most likely to occur at membrane contact sites (MCS). However, to date it is unknown whether closely attached biological membranes exchange lipids spontaneously. We have set up a system for studying the exchange of lipids at MCS formed between the endoplasmic reticulum (ER) and the plasma membrane. Contact sites were stably anchored and the lipids cholesterol and phosphatidylcholine (PC) were not capable of transferring spontaneously into the opposed bilayer. We conclude that physical contact between two associated biological membranes is not sufficient for transfer of the lipids PC and cholesterol.

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Two cation exchange models for direct and inverse modelling of solution major cation composition in equilibrium with illite surfaces

NASA Astrophysics Data System (ADS)

Tournassat, Christophe; Gailhanou, Hélène; Crouzet, Catherine; Braibant, Gilles; Gautier, Anne; Lassin, Arnault; Blanc, Philippe; Gaucher, Eric C.

2007-03-01

Na/K, Na/Ca and Na/Mg exchange isotherms were performed on the fine fraction (<2 μm) of Imt-2 illite samples at a total normality of about 0.005 mol/L in anionic chloride medium. The derived selectivity coefficients for Na/K, Na/Ca and Na/Mg were found to vary as a function of the exchanger composition and compared well with the data collected in the literature for similar experimental conditions. Two models were built to reproduce the data: the first was a multi(2)-site model with constant Gaines and Thomas selectivity coefficients; the second was a one-site model taking into account surface species activity coefficients. The results of the models were in rather good agreement with both our data and literature data. The multi-site model proved to be efficient in predicting the exchanger composition as a function of the Na/Ca/Mg/K concentrations in solution, whereas the one-site model proved to be a better approach to derive the Na/Ca/Mg/K concentrations in solution based on the knowledge of the exchanger composition and the total normality of the solution. The interest of this approach is illustrated by the need for major cation solute concentration predictions in compacted clay for the characterization of nuclear deep disposal host rock repositories.

Deterministic quantum dense coding networks

NASA Astrophysics Data System (ADS)

Roy, Saptarshi; Chanda, Titas; Das, Tamoghna; Sen(De), Aditi; Sen, Ujjwal

2018-07-01

We consider the scenario of deterministic classical information transmission between multiple senders and a single receiver, when they a priori share a multipartite quantum state - an attempt towards building a deterministic dense coding network. Specifically, we prove that in the case of two or three senders and a single receiver, generalized Greenberger-Horne-Zeilinger (gGHZ) states are not beneficial for sending classical information deterministically beyond the classical limit, except when the shared state is the GHZ state itself. On the other hand, three- and four-qubit generalized W (gW) states with specific parameters as well as the four-qubit Dicke states can provide a quantum advantage of sending the information in deterministic dense coding. Interestingly however, numerical simulations in the three-qubit scenario reveal that the percentage of states from the GHZ-class that are deterministic dense codeable is higher than that of states from the W-class.

Substrate water exchange in photosystem II depends on the peripheral proteins.

PubMed

Hillier, W; Hendry, G; Burnap, R L; Wydrzynski, T

2001-12-14

The (18)O exchange rates for the substrate water bound in the S(3) state were determined in different photosystem II sample types using time-resolved mass spectrometry. The samples included thylakoid membranes, salt-washed Triton X-100-prepared membrane fragments, and purified core complexes from spinach and cyanobacteria. For each sample type, two kinetically distinct isotopic exchange rates could be resolved, indicating that the biphasic exchange behavior for the substrate water is inherent to the O(2)-evolving catalytic site in the S(3) state. However, the fast phase of exchange became somewhat slower (by a factor of approximately 2) in NaCl-washed membrane fragments and core complexes from spinach in which the 16- and 23-kDa extrinsic proteins have been removed, compared with the corresponding rate for the intact samples. For CaCl(2)-washed membrane fragments in which the 33-kDa manganese stabilizing protein (MSP) has also been removed, the fast phase of exchange slowed down even further (by a factor of approximately 3). Interestingly, the slow phase of exchange was little affected in the samples from spinach. For core complexes prepared from Synechocystis PCC 6803 and Synechococcus elongatus, the fast and slow exchange rates were variously affected. Nevertheless, within the experimental error, nearly the same exchange rates were measured for thylakoid samples made from wild type and an MSP-lacking mutant of Synechocystis PCC 6803. This result could indicate that the MSP has a slightly different function in eukaryotic organisms compared with prokaryotic organisms. In all samples, however, the differences in the exchange rates are relatively small. Such small differences are unlikely to arise from major changes in the metal-ligand structure at the catalytic site. Rather, the observed differences may reflect subtle long range effects in which the exchange reaction coordinates become slightly altered. We discuss the results in terms of solvent penetration into photosystem II and the regional dielectric around the catalytic site.

Elucidation of the binding sites of sodium dodecyl sulfate to β-lactoglobulin using hydrogen/deuterium exchange mass spectrometry combined with docking simulation.

PubMed

Hu, Wenbing; Liu, Jianan; Luo, Qun; Han, Yumiao; Wu, Kui; Lv, Shuang; Xiong, Shaoxiang; Wang, Fuyi

2011-05-30

Hydrogen/deuterium exchange mass spectrometry (H/DX MS) has become a powerful tool to investigate protein-protein and protein-ligand interactions, but it is still challenging to localize the interaction regions/sites of ligands with pepsin-resistant proteins such as lipocalins. β-Lactoglobulin (BLG), a member of the lipocalin family, can bind a variety of small hydrophobic molecules including retinols, retinoic acids, and long linear fatty acids. However, whether the binding site of linear molecules locates in the external groove or internal cavity of BLG is controversial. In this study we used H/DX MS combined with docking simulation to localize the interaction sites of a tested ligand, sodium dodecyl sulfate (SDS), binding to BLG. H/DX MS results indicated that SDS can bind to both the external and the internal sites in BLG. However, neither of the sites is saturated with SDS, allowing a dynamic ligand exchange to occur between the sites at equilibrium state. Docking studies revealed that SDS forms H-bonds with Lys69 in the internal site and Lys138 and Lys141 in the external site in BLG via the sulfate group, and interacts with the hydrophobic residues valine, leucine, isoleucine and methionine within both of the sites via its hydrocarbon tail, stabilizing the BLG-SDS complex. Copyright © 2011 John Wiley & Sons, Ltd.

Acetylcholinesterase-catalyzed acetate - water oxygen exchange studied by /sup 13/C-NMR

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

Van Etten, R.L.; Dayton, B.; Cortes, S.

1986-05-01

The kinetics of the oxygen exchange reaction between (l-/sup 13/C,/sup 18/O/sub 2/)acetate and H/sub 2//sup 16/O catalyzed by homogeneous acetyl-cholinesterase from the electric eel, Electrophorus electricus, was studied using the /sup 18/O-isotope-induced shift on /sup 13/C-nuclear magnetic resonance spectra. Pseudo-first-order rate constants for the exchange reactions were determined at pH values from 4.5 to 8. The exchange reaction exhibits a maximum at pH 5.8. The apparent catalytic rate constant for the exchange reaction is 10/sup 2/ to 10/sup 4/ times smaller than that for the deacylation of the acetyl-enzyme intermediate over the pH range tested. Oxygen exchange occurs by amore » random sequential pathway rather than by multiple (coupled) exchange. The inhibition of acetylcholinesterase by sodium acetate showed a sigmoidal dependence on pH, with K/sub i/ increasing 2.5 orders of magnitude over the pH range. Protonation of an active site residue having an apparent pKa of 6.8 is associated with an increase in acetate binding. Deacylation also exhibits a sigmoidal dependence on (H/sup +/). The experimental data fits titration curves with inflection points at 5.0 +/- 0.3 and 6.7 +/-0.1. Results support the role of histidine in acetylation of the active site serine, but the conjugate base of another active site residue with a pKa of 5.0 appears necessary for maximal catalytic activity in both the deacylation and exchange reactions.« less

Evaluation of soils for use as liner materials: a soil chemistry approach.

PubMed

DeSutter, Tom M; Pierzynski, Gary M

2005-01-01

Movement of NH(4)(+) below animal waste lagoons is generally a function of the whole-lagoon seepage rate, soil mineralogy, cations in the lagoon liquor, and selectivity for NH(4)(+) on the soil-exchange sites. Binary exchange reactions (Ca(2+)-K(+), Ca(2+)-NH(4)(+), and K(+)-NH(4)(+)) were conducted on two soils from the Great Plains and with combinations of these soils with bentonite or zeolite added. Binary exchanges were used to predict ternary exchanges Ca(2+)-K(+)-NH(4)(+) following the Rothmund-Kornfeld approach and Gaines-Thomas convention. Potassium and NH(4)(+) were preferred over Ca(2+), and K(+) was preferred over NH(4)(+) in all soils and soils with amendments. Generally, the addition of bentonite did not change cation selectivity over the native soils, whereas the addition of zeolite did. The Rothmund-Kornfeld approach worked well for predicting equivalent fractions of cations on the exchanger phase when only ternary-solution phase compositions were known. Actual swine- and cattle-lagoon solution compositions and the Rothmund-Kornfeld approach were used to project that native soils are predicted to retain 53 and 23%, respectively, of the downward-moving NH(4)(+) on their exchange sites. Additions of bentonite or zeolite to soils under swine lagoons may only slightly improve the equivalent fraction of NH(4)(+) on the exchange sites. Although additions of bentonite or zeolite may not help increase the NH(4)(+) selectivity of a liner material, increases in the overall cation exchange capacity (CEC) of a soil will ultimately decrease the amount of soil needed to adsorb downward-moving NH(4)(+).

Tundra shrub effects on growing season energy and carbon dioxide exchange

NASA Astrophysics Data System (ADS)

Lafleur, Peter M.; Humphreys, Elyn R.

2018-05-01

Increased shrub cover on the Arctic tundra is expected to impact ecosystem-atmosphere exchanges of carbon and energy resulting in feedbacks to the climate system, yet few direct measurements of shrub tundra-atmosphere exchanges are available to corroborate expectations. Here we present energy and carbon dioxide (CO2) fluxes measured using the eddy covariance technique over six growing seasons at three closely located tundra sites in Canada’s Low Arctic. The sites are dominated by the tundra shrub Betula glandulosa, but percent cover varies from 17%–60% and average shrub height ranges from 18–59 cm among sites. The site with greatest percent cover and height had greater snow accumulation, but contrary to some expectations, it had similar late-winter albedo and snow melt dates compared to the other two sites. Immediately after snowmelt latent heat fluxes increased more slowly at this site compared to the others. Yet by the end of the growing season there was little difference in cumulative latent heat flux among the sites, suggesting evapotranspiration was not increased with greater shrub cover. In contrast, lower albedo and less soil thaw contributed to greater summer sensible heat flux at the site with greatest shrub cover, resulting in greater total atmospheric heating. Net ecosystem exchange of CO2 revealed the potential for enhanced carbon cycling rates under greater shrub cover. Spring CO2 emissions were greatest at the site with greatest percent cover of shrubs, as was summer net uptake of CO2. The seasonal net sink for CO2 was ~2 times larger at the site with the greatest shrub cover compared to the site with the least shrub cover. These results largely agree with expectations that the growing season feedback to the atmosphere arising from shrub expansion in the Arctic has the potential to be negative for CO2 fluxes but positive for turbulent energy fluxes.

Information Exchange and Information Disclosure in Social Networking Web Sites: Mediating Role of Trust

ERIC Educational Resources Information Center

Mital, Monika; Israel, D.; Agarwal, Shailja

2010-01-01

Purpose: The purpose of this paper is to examine the mediating effect of trust on the relationship between the type of information exchange (IE) and information disclosure (ID) on social networking web sites (SNWs). Design/methodology/approach: Constructs were developed for type of IE and trust. To understand the mediating role of trust a…

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Unified superresolution experiments and stochastic theory provide mechanistic insight into protein ion-exchange adsorptive separations

PubMed Central

Kisley, Lydia; Chen, Jixin; Mansur, Andrea P.; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Chen, Wen-Hsiang; Dhamane, Sagar; Willson, Richard C.; Landes, Christy F.

2014-01-01

Chromatographic protein separations, immunoassays, and biosensing all typically involve the adsorption of proteins to surfaces decorated with charged, hydrophobic, or affinity ligands. Despite increasingly widespread use throughout the pharmaceutical industry, mechanistic detail about the interactions of proteins with individual chromatographic adsorbent sites is available only via inference from ensemble measurements such as binding isotherms, calorimetry, and chromatography. In this work, we present the direct superresolution mapping and kinetic characterization of functional sites on ion-exchange ligands based on agarose, a support matrix routinely used in protein chromatography. By quantifying the interactions of single proteins with individual charged ligands, we demonstrate that clusters of charges are necessary to create detectable adsorption sites and that even chemically identical ligands create adsorption sites of varying kinetic properties that depend on steric availability at the interface. Additionally, we relate experimental results to the stochastic theory of chromatography. Simulated elution profiles calculated from the molecular-scale data suggest that, if it were possible to engineer uniform optimal interactions into ion-exchange systems, separation efficiencies could be improved by as much as a factor of five by deliberately exploiting clustered interactions that currently dominate the ion-exchange process only accidentally. PMID:24459184

Unified superresolution experiments and stochastic theory provide mechanistic insight into protein ion-exchange adsorptive separations.

PubMed

Kisley, Lydia; Chen, Jixin; Mansur, Andrea P; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Chen, Wen-Hsiang; Dhamane, Sagar; Willson, Richard C; Landes, Christy F

2014-02-11

Chromatographic protein separations, immunoassays, and biosensing all typically involve the adsorption of proteins to surfaces decorated with charged, hydrophobic, or affinity ligands. Despite increasingly widespread use throughout the pharmaceutical industry, mechanistic detail about the interactions of proteins with individual chromatographic adsorbent sites is available only via inference from ensemble measurements such as binding isotherms, calorimetry, and chromatography. In this work, we present the direct superresolution mapping and kinetic characterization of functional sites on ion-exchange ligands based on agarose, a support matrix routinely used in protein chromatography. By quantifying the interactions of single proteins with individual charged ligands, we demonstrate that clusters of charges are necessary to create detectable adsorption sites and that even chemically identical ligands create adsorption sites of varying kinetic properties that depend on steric availability at the interface. Additionally, we relate experimental results to the stochastic theory of chromatography. Simulated elution profiles calculated from the molecular-scale data suggest that, if it were possible to engineer uniform optimal interactions into ion-exchange systems, separation efficiencies could be improved by as much as a factor of five by deliberately exploiting clustered interactions that currently dominate the ion-exchange process only accidentally.

Exploring scaling relations for chemisorption energies on transition-metal-exchanged zeolites ZSM-22 and ZSM-5

DOE PAGES

Siahrostami, Samira; Falsig, Hanne; Beato, Pablo; ...

2016-01-12

Copper exchange on all the different T sites of ZSM-22 and ZSM-5 is considered and the chemisorption energies of dioxygen, OH, and O species are studied. We show that for different T sites the adsorption energies vary significantly. The oxygen adsorption energy on copper-exchanged zeolites is quite similar to those of the most selective catalysts for oxidation reactions, that is, Ag and Au surfaces. The chemisorption energies of oxygen, carbon-, and nitrogen-containing species on different transition metals exchanged in ZSM-22 are also investigated. The study covers three different oxidation states, that is, 1+, 2+, and 3+ for the transition-metal exchanges.more » Scaling relations are presented for the corresponding species. Lastly, chemisorption of O scales with chemisorption of OH for all three considered exchanges, whereas there are essentially rough correlations for NH 2 and N as well as CH 3 and C.« less

Are BVOC exchanges in agricultural ecosystems overestimated? Insights from fluxes measured in a maize field over a whole growing season

NASA Astrophysics Data System (ADS)

Bachy, Aurélie; Aubinet, Marc; Schoon, Niels; Amelynck, Crist; Bodson, Bernard; Moureaux, Christine; Heinesch, Bernard

2016-04-01

Maize is the most important C4 crop worldwide. It is also the second most important crop worldwide (C3 and C4 mixed), and is a dominant crop in some world regions. Therefore, it can potentially influence local climate and air quality through its exchanges of gases with the atmosphere. Among others, biogenic volatile organic compounds (BVOC) are known to influence the atmospheric composition and thereby modify greenhouse gases lifetime and pollutant formation in the atmosphere. However, so far, only two studies have dealt with BVOC exchanges from maize. Moreover, these studies were conducted on a limited range of meteorological and phenological conditions, so that the knowledge of BVOC exchanges by this crop remains poor. Here, we present the first BVOC measurement campaign performed at ecosystem-scale on a maize field during a whole growing season. It was carried out in the Lonzée Terrestrial Observatory (LTO), an ICOS site. BVOC fluxes were measured by the disjunct by mass-scanning eddy covariance technique with a proton transfer reaction mass spectrometer for BVOC mixing ratios measurements. Outstanding results are (i) BVOC exchanges from soil were as important as BVOC exchanges from maize itself; (ii) BVOC exchanges observed on our site were much lower than exchanges observed by other maize studies, even under normalized temperature and light conditions, (iii) they were also lower than those observed on other crops grown in Europe. Lastly (iv), BVOC exchanges observed on our site under standard environmental conditions, i.e., standard emission factors SEF, were much lower than those currently considered by BVOC exchange up-scaling models. From those observations, we deduced that (i) soil BVOC exchanges should be better understood and should be incorporated in terrestrial BVOC exchanges models, and that (ii) SEF for the C4 crop plant functional type cannot be evaluated at global scale but should be determined for each important agronomic and pedo-climatic region. Moreover, as in our region (i.e., temperate climate, silty-loam soils), SEF observed on maize were much lower than SEF currently considered by models, our results tend to lower the impact of agricultural ecosystems on BVOC exchanges.

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Optimization Of Mean-Semivariance-Skewness Portfolio Selection Model In Fuzzy Random Environment

NASA Astrophysics Data System (ADS)

Chatterjee, Amitava; Bhattacharyya, Rupak; Mukherjee, Supratim; Kar, Samarjit

2010-10-01

The purpose of the paper is to construct a mean-semivariance-skewness portfolio selection model in fuzzy random environment. The objective is to maximize the skewness with predefined maximum risk tolerance and minimum expected return. Here the security returns in the objectives and constraints are assumed to be fuzzy random variables in nature and then the vagueness of the fuzzy random variables in the objectives and constraints are transformed into fuzzy variables which are similar to trapezoidal numbers. The newly formed fuzzy model is then converted into a deterministic optimization model. The feasibility and effectiveness of the proposed method is verified by numerical example extracted from Bombay Stock Exchange (BSE). The exact parameters of fuzzy membership function and probability density function are obtained through fuzzy random simulating the past dates.

Complete description of all self-similar models driven by Lévy stable noise

NASA Astrophysics Data System (ADS)

Weron, Aleksander; Burnecki, Krzysztof; Mercik, Szymon; Weron, Karina

2005-01-01

A canonical decomposition of H -self-similar Lévy symmetric α -stable processes is presented. The resulting components completely described by both deterministic kernels and the corresponding stochastic integral with respect to the Lévy symmetric α -stable motion are shown to be related to the dissipative and conservative parts of the dynamics. This result provides stochastic analysis tools for study the anomalous diffusion phenomena in the Langevin equation framework. For example, a simple computer test for testing the origins of self-similarity is implemented for four real empirical time series recorded from different physical systems: an ionic current flow through a single channel in a biological membrane, an energy of solar flares, a seismic electric signal recorded during seismic Earth activity, and foreign exchange rate daily returns.

Utilizing multichannel electrical resistivity methods to examine the dynamics of the fresh water–seawater interface in two Hawaiian groundwater systems

USGS Publications Warehouse

Dimova, Natasha T.; Swarzenski, Peter W.; Dulaiova, Henrieta; Glenn, Craig R.

2012-01-01

Multichannel electrical resistivity (ER) measurements were conducted at two contrasting coastal sites in Hawaii to obtain new information on the spatial scales and dynamics of the fresh water–seawater interface and rates of coastal groundwater exchange. At Kiholo Bay (located on the dry, Kona side of the Big Island) and at a site in Maunalua Bay (Oahu), there is an evidence for abundant submarine groundwater discharge (SGD). However, the hydrologic and geologic controls on coastal groundwater discharge are likely to be different at these two sites. While at Kiholo Bay SGD is predominantly through lava tubes, at the Maunalua Bay site exchange occurs mostly through nearshore submarine springs. In order to calculate SGD fluxes, it is important to understand the spatial and temporal scales of coastal groundwater exchange. From ER time series data, subsurface salinity distributions were calculated using site-specific formation factors. A salinity mass balance box model was then used to calculate rates of point source (i.e., spatially discreet) and total fresh water discharge. From these data, mean SGD rates were calculated for Kiholo Bay (∼9,200 m3/d) and for the Maunalua Bay site (∼5,900 m3/d). While such results are on the same order of magnitude to geochemical tracer-derived SGD rates, the ER SGD rates provide enhanced details of coastal groundwater exchange that can enable a more cohesive whole watershed perspective.

Modeling metapopulation dynamics for single species of seabirds

USGS Publications Warehouse

Buckley, P.A.; Downer, R.; McCullough, D.R.; Barrett, R.H.

1992-01-01

Seabirds share many characteristics setting them apart from other birds. Importantly, they breed more or less obligatorily in local clusters of colonies that can move regularly from site to site, and they routinely exchange breeders. The properties of such metapopulations have only recently begun to be examined, often with models that are occupancy-based (using only colony presence or absence data) and deterministic (using single, empirically determined values for each of several population biology parameters). Some recent models are now frequency-based (using actual population sizes at each site), as well as stochastic (randomly varying critical parameters between biologically realistic limits), yielding better estimates of the behavior of future populations. Using two such models designed to quantify relative risks of population changes under different future scenarios (RAMAS/stage and RAMAS/space), we have examined probable future populations dynamics for three hypothetical seabirds -- an albatross, a cormorant, and a tern. With real parameters and ranges of values we alternatively modelled each species with and without density dependence, as well as with their numbers in a single, large colony, or in many smaller ones, distributed evenly or lognormally. We produced a series of species-typical lines for different population risks over the 50 years we simulated. We call these curves Instantaneous Threat Assessments (ITAs), and their shapes mirror the varying life history characteristics of our three species. We also demonstrated (by a process known as sensitivity analysis) that the most important parameters determining future population fates of all three species were correlation of mean growth rate among colonies; dispersal rate of present and future breeders; subadult survivorship; and the number of subpopulations (=colonies) - in roughly that descending order of importance. In addition, density dependence was found to markedly alter ITA line shape and position, dramatically in the tern. Finally, we show that for each of our three seabirds, a substantial reduction in the risk of the entire population's going to extinction was provided by a metapopulation (i.e. colonial) breeding structure -- thus comfortably confirming what avian ecologists have long known but about which population modellers are somtimes still unsure.

Heat Exchange Processes and Thermal Dynamics of a Glacier-Fed Stream

NASA Astrophysics Data System (ADS)

Khamis, K.; Hannah, D. M.; Brown, L. E.; Milner, A. M.

2012-12-01

Glacier-fed river thermal regimes vary markedly in space and time. However, knowledge is limited of fundamental processes controlling alpine stream temperature dynamics. The few studies have not sufficiently characterised above-stream micro-climate and have been limited to single melt seasons. To address the research gap, this study quantified heat exchanges at the water surface and bed of a glacier fed stream over two summers to improve understanding of factors and processes driving thermal dynamics. An automatic weather station and river gauge were set up on a stream 1.5 km from the Taillon Glacier, French Pyrénées. Hydro-meteorological observations were recorded at 15-min intervals between 16 June-2 September 2010 and 2011. Energy balance components were measured [net radiation (Q*); bed heat flux (Qbhf)] or estimated based on site-specific data [sensible heat transfer (Qh); latent heat (Qe); fluid friction (Qf)]. During 2010, snowline altitude was lower and glacier ablation occurred in late season. During 2010, the mean snowline altitude was lower and ablation of glacier ice occurred later in the season Mean water temperature was lower (-0.8°C), precipitation greater (+87mm) and daily discharge variation lower (-0.03 m3s-1) than 2011. The net heat budget was strongly positive in both summers, with the majority of energy exchanged at the air-water interface. Averaged over the seasons, Q* was the largest heat source (~80% of total flux); Qh (~13%) and Qf (~3%) were also sources. Qe displayed inter-annual variability; during 2010 (2011) it contributed 5.2% (0.03%) of the total heat budget due to windier, drier conditions that offset early season condensation gains with late season evaporative losses. Energy exchanges at the channel - river bed interface comprised <1% of the heat budget; Qbhf was a sink (source) during 2010 (2011). Daily flux totals were used to characterize sub-seasonal dynamics. Declines in net radiation receipt and total energy available to heat the water column were observed over the season due to shorter days. Qh and Qbhf displayed no sub-seasonal patterns, responding to prevailing hydro-meteorological conditions. Latent heat showed a shift from source to sink over the season, possibly linked to retreating snowline which changed microclimate and, in turn, temperature and humidity gradients. A deterministic energy balance model was used to simulate water column temperature. Maximum daily water temperatures were predicted with a RMSE of 1.44°C during 2011. Model performance was reduced in 2010 and early season water temperature overestimated systematically due to cold water inflows from valley snowpacks. These findings represent the first, inter-annual study of the heat exchange processes operating in a glacier fed river. Initial (un-calibrated) model performance suggests that process-based models represent useful tools for predicting future changes in alpine stream temperature. However, further work is needed to incorporate changing snow/ ice melt contributions as well as climate.

The influence of structural fluorine on biotite oxidation in copper-bearing, aqueous solutions at low temperatures and pressures

NASA Astrophysics Data System (ADS)

Earley, Drummond, III; Darby Dyar, M.; Ilton, Eugene S.; Granthem, Allen A.

1995-06-01

High-F (5.4 wt%) and low-F (0.8 wt%) biotites were reacted with aqueous (Cu, Na 2)Cl 2 solutions at ambient conditions to investigate biotite oxidation mechanisms at low temperatures and pressures and at atmospheric pO 2. The exchange of Cu +2 for interlayer cations increases the rate of biotite oxidation under these conditions. Solid reactants and products were characterized by Mössbauer spectroscopy, X-ray diffraction, and comprehensive bulk chemical analyses. Even though both biotites were pretreated with a sodium tetraphenylboron (NaTPB) solution, which rapidly exchanges Na for K, only about 50% of the interlayer K was exchanged during most of these experiments. As a result, the exchange reactions produced variably expanded phases with d(001) ranging from approximately 10 to 14 Å. Octahedral Fe +2 in samples of high- and low-F biotite was oxidized rapidly during Cu exchange. The degree of Fe +2 oxidation amounted to about 50% of the total Fe in most experiments and was nearly independent of the total mass of Cu introduced into the interlayer which ranged from 2.0 to 9.2 wt% CuO. The Mössbauer spectra also show that the Fe +2 in M(1) octahedra of the high-F biotite was oxidized more slowly than Fe +2 in M(2) sites, whereas in the low-F biotite experiments M(1) Fe +2 was oxidized at a slightly faster rate than the Fe +2 in M(2) sites. Our study suggests that the total amount of Fe oxidized was limited by the amount of K exchanged, and that preferred oxidation of Fe +2 at M(2) sites relative to M(1) sites was a function of the F content of these biotites. Charge transfer from octahedral Fe +2 to the interlayer may be facilitated by deprotonation. In exchange experiments conducted on the F-rich biotite, Fe +2 oxidation at M(1) sites was limited indicating that preferential substitution of F for OH might occur at the M(1) site. We used the Fe-F avoidance law to develop an F-OH ordering model that preferentially distributes F on selected trans positions of Fe-filled M(1) octahedra in Fe- and F-rich biotites. If charge transfer is facilitated by the presence of OH then the proposed F-OH ordering model could account for the selective deactivation of the Fe +2 oxidation mechanism at the M(1) site.

Coupling Legacy and Contemporary Deterministic Codes to Goldsim for Probabilistic Assessments of Potential Low-Level Waste Repository Sites

NASA Astrophysics Data System (ADS)

Mattie, P. D.; Knowlton, R. G.; Arnold, B. W.; Tien, N.; Kuo, M.

2006-12-01

Sandia National Laboratories (Sandia), a U.S. Department of Energy National Laboratory, has over 30 years experience in radioactive waste disposal and is providing assistance internationally in a number of areas relevant to the safety assessment of radioactive waste disposal systems. International technology transfer efforts are often hampered by small budgets, time schedule constraints, and a lack of experienced personnel in countries with small radioactive waste disposal programs. In an effort to surmount these difficulties, Sandia has developed a system that utilizes a combination of commercially available codes and existing legacy codes for probabilistic safety assessment modeling that facilitates the technology transfer and maximizes limited available funding. Numerous codes developed and endorsed by the United States Nuclear Regulatory Commission and codes developed and maintained by United States Department of Energy are generally available to foreign countries after addressing import/export control and copyright requirements. From a programmatic view, it is easier to utilize existing codes than to develop new codes. From an economic perspective, it is not possible for most countries with small radioactive waste disposal programs to maintain complex software, which meets the rigors of both domestic regulatory requirements and international peer review. Therefore, re-vitalization of deterministic legacy codes, as well as an adaptation of contemporary deterministic codes, provides a creditable and solid computational platform for constructing probabilistic safety assessment models. External model linkage capabilities in Goldsim and the techniques applied to facilitate this process will be presented using example applications, including Breach, Leach, and Transport-Multiple Species (BLT-MS), a U.S. NRC sponsored code simulating release and transport of contaminants from a subsurface low-level waste disposal facility used in a cooperative technology transfer project between Sandia National Laboratories and Taiwan's Institute of Nuclear Energy Research (INER) for the preliminary assessment of several candidate low-level waste repository sites. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE AC04 94AL85000.

The relationship between stochastic and deterministic quasi-steady state approximations.

PubMed

Kim, Jae Kyoung; Josić, Krešimir; Bennett, Matthew R

2015-11-23

The quasi steady-state approximation (QSSA) is frequently used to reduce deterministic models of biochemical networks. The resulting equations provide a simplified description of the network in terms of non-elementary reaction functions (e.g. Hill functions). Such deterministic reductions are frequently a basis for heuristic stochastic models in which non-elementary reaction functions are used to define reaction propensities. Despite their popularity, it remains unclear when such stochastic reductions are valid. It is frequently assumed that the stochastic reduction can be trusted whenever its deterministic counterpart is accurate. However, a number of recent examples show that this is not necessarily the case. Here we explain the origin of these discrepancies, and demonstrate a clear relationship between the accuracy of the deterministic and the stochastic QSSA for examples widely used in biological systems. With an analysis of a two-state promoter model, and numerical simulations for a variety of other models, we find that the stochastic QSSA is accurate whenever its deterministic counterpart provides an accurate approximation over a range of initial conditions which cover the likely fluctuations from the quasi steady-state (QSS). We conjecture that this relationship provides a simple and computationally inexpensive way to test the accuracy of reduced stochastic models using deterministic simulations. The stochastic QSSA is one of the most popular multi-scale stochastic simulation methods. While the use of QSSA, and the resulting non-elementary functions has been justified in the deterministic case, it is not clear when their stochastic counterparts are accurate. In this study, we show how the accuracy of the stochastic QSSA can be tested using their deterministic counterparts providing a concrete method to test when non-elementary rate functions can be used in stochastic simulations.

Identifying variably saturated water-flow patterns in a steep hillslope under intermittent heavy rainfall

USGS Publications Warehouse

El-Kadi, A. I.; Torikai, J.D.

2001-01-01

The objective of this paper is to identify water-flow patterns in part of an active landslide, through the use of numerical simulations and data obtained during a field study. The approaches adopted include measuring rainfall events and pore-pressure responses in both saturated and unsaturated soils at the site. To account for soil variability, the Richards equation is solved within deterministic and stochastic frameworks. The deterministic simulations considered average water-retention data, adjusted retention data to account for stones or cobbles, retention functions for a heterogeneous pore structure, and continuous retention functions for preferential flow. The stochastic simulations applied the Monte Carlo approach which considers statistical distribution and autocorrelation of the saturated conductivity and its cross correlation with the retention function. Although none of the models is capable of accurately predicting field measurements, appreciable improvement in accuracy was attained using stochastic, preferential flow, and heterogeneous pore-structure models. For the current study, continuum-flow models provide reasonable accuracy for practical purposes, although they are expected to be less accurate than multi-domain preferential flow models.

Post-processing method for wind speed ensemble forecast using wind speed and direction

NASA Astrophysics Data System (ADS)

Sofie Eide, Siri; Bjørnar Bremnes, John; Steinsland, Ingelin

2017-04-01

Statistical methods are widely applied to enhance the quality of both deterministic and ensemble NWP forecasts. In many situations, like wind speed forecasting, most of the predictive information is contained in one variable in the NWP models. However, in statistical calibration of deterministic forecasts it is often seen that including more variables can further improve forecast skill. For ensembles this is rarely taken advantage of, mainly due to that it is generally not straightforward how to include multiple variables. In this study, it is demonstrated how multiple variables can be included in Bayesian model averaging (BMA) by using a flexible regression method for estimating the conditional means. The method is applied to wind speed forecasting at 204 Norwegian stations based on wind speed and direction forecasts from the ECMWF ensemble system. At about 85 % of the sites the ensemble forecasts were improved in terms of CRPS by adding wind direction as predictor compared to only using wind speed. On average the improvements were about 5 %, but mainly for moderate to strong wind situations. For weak wind speeds adding wind direction had more or less neutral impact.

Recombinase-Mediated Cassette Exchange Using Adenoviral Vectors.

PubMed

Kolb, Andreas F; Knowles, Christopher; Pultinevicius, Patrikas; Harbottle, Jennifer A; Petrie, Linda; Robinson, Claire; Sorrell, David A

2017-01-01

Site-specific recombinases are important tools for the modification of mammalian genomes. In conjunction with viral vectors, they can be utilized to mediate site-specific gene insertions in animals and in cell lines which are difficult to transfect. Here we describe a method for the generation and analysis of an adenovirus vector supporting a recombinase-mediated cassette exchange reaction and discuss the advantages and limitations of this approach.

A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

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

Leclerc, Monique Y.

2014-11-17

This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impactmore » on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.« less

Stochastic empirical loading and dilution model for analysis of flows, concentrations, and loads of highway runoff constituents

USGS Publications Warehouse

Granato, Gregory E.; Jones, Susan C.

2014-01-01

In cooperation with FHWA, the U.S. Geological Survey developed the stochastic empirical loading and dilution model (SELDM) to supersede the 1990 FHWA runoff quality model. The SELDM tool is designed to transform disparate and complex scientific data into meaningful information about the adverse risks of runoff on receiving waters, the potential need for mitigation measures, and the potential effectiveness of such measures for reducing such risks. The SELDM tool is easy to use because much of the information and data needed to run it are embedded in the model and obtained by defining the site location and five simple basin properties. Information and data from thousands of sites across the country were compiled to facilitate the use of the SELDM tool. A case study illustrates how to use the SELDM tool for conducting the types of sensitivity analyses needed to properly assess water quality risks. For example, the use of deterministic values to model upstream stormflows instead of representative variations in prestorm flow and runoff may substantially overestimate the proportion of highway runoff in downstream flows. Also, the risks for total phosphorus excursions are substantially affected by the selected criteria and the modeling methods used. For example, if a single deterministic concentration is used rather than a stochastic population of values to model upstream concentrations, then the percentage of water quality excursions in the downstream receiving waters may depend entirely on the selected upstream concentration.

78 FR 38416 - Self-Regulatory Organizations; Miami International Securities Exchange LLC; Notice of Filing and...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-26

..., without limitation, options, equities, futures, derivatives, indexes, exchange traded funds, exchange...., equity and ETF, index, derivatives, futures, foreign currency, and even commodities products... low as $0.05).\\13\\ \\13\\ As an example, per the CME Web site, strike prices for options on futures may...

47 CFR 22.973 - Information exchange.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 47 Telecommunication 2 2012-10-01 2012-10-01 false Information exchange. 22.973 Section 22.973... Cellular Radiotelephone Service § 22.973 Information exchange. (a) Prior notification. Public safety/CII... information to the public safety/CII licensee at least 10 business days before a new cell site is activated or...

47 CFR 22.973 - Information exchange.

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2011-10-01

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47 CFR 22.973 - Information exchange.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 2 2014-10-01 2014-10-01 false Information exchange. 22.973 Section 22.973... Cellular Radiotelephone Service § 22.973 Information exchange. (a) Prior notification. Public safety/CII... information to the public safety/CII licensee at least 10 business days before a new cell site is activated or...

47 CFR 22.973 - Information exchange.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 2 2013-10-01 2013-10-01 false Information exchange. 22.973 Section 22.973... Cellular Radiotelephone Service § 22.973 Information exchange. (a) Prior notification. Public safety/CII... information to the public safety/CII licensee at least 10 business days before a new cell site is activated or...

17 CFR 248.126 - Delivery of opt out notices.

Code of Federal Regulations, 2014 CFR

2014-04-01

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2011-04-01

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2012-04-01

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2014-04-01

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17 CFR 248.126 - Delivery of opt out notices.

Code of Federal Regulations, 2011 CFR

2011-04-01

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Forest-atmosphere carbon dioxide exchange in eastern Siberia

Treesearch

D.Y. Hollinger; F.M. Kelliher; E.-D. Schulze; G. Bauer; A., et al. Arneth

1998-01-01

We investigated the daily exchange of C02 between undisturbed Larix gmelinii (Rupr.) Rupr forest and the atmosphere at a remote Siberian site during July and August of 1993. Our goal was to measure and partition total C02 exchanges into aboveground and belowground components by measuring forest and...

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Code of Federal Regulations, 2010 CFR

2010-04-01

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Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-27

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Calibration of semi-stochastic procedure for simulating high-frequency ground motions

USGS Publications Warehouse

Seyhan, Emel; Stewart, Jonathan P.; Graves, Robert

2013-01-01

Broadband ground motion simulation procedures typically utilize physics-based modeling at low frequencies, coupled with semi-stochastic procedures at high frequencies. The high-frequency procedure considered here combines deterministic Fourier amplitude spectra (dependent on source, path, and site models) with random phase. Previous work showed that high-frequency intensity measures from this simulation methodology attenuate faster with distance and have lower intra-event dispersion than in empirical equations. We address these issues by increasing crustal damping (Q) to reduce distance attenuation bias and by introducing random site-to-site variations to Fourier amplitudes using a lognormal standard deviation ranging from 0.45 for Mw < 7 to zero for Mw 8. Ground motions simulated with the updated parameterization exhibit significantly reduced distance attenuation bias and revised dispersion terms are more compatible with those from empirical models but remain lower at large distances (e.g., > 100 km).

Na+ Interactions with the Neutral Amino Acid Transporter ASCT1*

PubMed Central

Scopelliti, Amanda J.; Heinzelmann, Germano; Kuyucak, Serdar; Ryan, Renae M.; Vandenberg, Robert J.

2014-01-01

The alanine, serine, cysteine transporters (ASCTs) belong to the solute carrier family 1A (SLC1A), which also includes the excitatory amino acid transporters (EAATs) and the prokaryotic aspartate transporter GltPh. Acidic amino acid transport by the EAATs is coupled to the co-transport of three Na+ ions and one proton, and the counter-transport of one K+ ion. In contrast, neutral amino acid exchange by the ASCTs does not require protons or the counter-transport of K+ ions and the number of Na+ ions required is not well established. One property common to SLC1A family members is a substrate-activated anion conductance. We have investigated the number and location of Na+ ions required by ASCT1 by mutating residues in ASCT1 that correspond to residues in the EAATs and GltPh that are involved in Na+ binding. Mutations to all three proposed Na+ sites influence the binding of substrate and/or Na+, or the rate of substrate exchange. A G422S mutation near the Na2 site reduced Na+ affinity, without affecting the rate of exchange. D467T and D467A mutations in the Na1 site reduce Na+ and substrate affinity and also the rate of substrate exchange. T124A and D380A mutations in the Na3 site selectively reduce the affinity for Na+ and the rate of substrate exchange without affecting substrate affinity. In many of the mutants that reduce the rate of substrate transport the amplitudes of the substrate-activated anion conductances are not substantially affected indicating altered ion dependence for channel activation compared with substrate exchange. PMID:24808181

Localizing Carbohydrate Binding Sites in Proteins Using Hydrogen/Deuterium Exchange Mass Spectrometry

NASA Astrophysics Data System (ADS)

Zhang, Jingjing; Kitova, Elena N.; Li, Jun; Eugenio, Luiz; Ng, Kenneth; Klassen, John S.

2016-01-01

The application of hydrogen/deuterium exchange mass spectrometry (HDX-MS) to localize ligand binding sites in carbohydrate-binding proteins is described. Proteins from three bacterial toxins, the B subunit homopentamers of Cholera toxin and Shiga toxin type 1 and a fragment of Clostridium difficile toxin A, and their interactions with native carbohydrate receptors, GM1 pentasaccharides (β-Gal-(1→3)-β-GalNAc-(1→4)[α-Neu5Ac-(2→3)]-β-Gal-(1→4)-Glc), Pk trisaccharide (α-Gal-(1→4)-β-Gal-(1→4)-Glc) and CD-grease (α-Gal-(1→3)-β-Gal-(1→4)-β-GlcNAcO(CH2)8CO2CH3), respectively, served as model systems for this study. Comparison of the differences in deuterium uptake for peptic peptides produced in the absence and presence of ligand revealed regions of the proteins that are protected against deuterium exchange upon ligand binding. Notably, protected regions generally coincide with the carbohydrate binding sites identified by X-ray crystallography. However, ligand binding can also result in increased deuterium exchange in other parts of the protein, presumably through allosteric effects. Overall, the results of this study suggest that HDX-MS can serve as a useful tool for localizing the ligand binding sites in carbohydrate-binding proteins. However, a detailed interpretation of the changes in deuterium exchange upon ligand binding can be challenging because of the presence of ligand-induced changes in protein structure and dynamics.

Using Riverboat-Mounted Eddy Covariance for Direct Measurements of Air-water Gas Exchange in Amazonia

NASA Astrophysics Data System (ADS)

Miller, S. D.; Freitas, H.; Read, E.; Goulden, M. L.; Rocha, H.

2007-12-01

Gas evasion from Amazonian rivers and lakes to the atmosphere has been estimated to play an important role in the regional budget of carbon dioxide (Richey et al., 2002) and the global budget of methane (Melack et al., 2004). These flux estimates were calculated by combining remote sensing estimates of inundation area with water-side concentration gradients and gas transfer rates (piston velocities) estimated primarily from floating chamber measurements (footprint ~1 m2). The uncertainty in these fluxes was large, attributed primarily to uncertainty in the gas exchange parameterization. Direct measurements of the gas exchange coefficient are needed to improve the parameterizations in these environments, and therefore reduce the uncertainty in fluxes. The micrometeorological technique of eddy covariance is attractive since it is a direct measurement of gas exchange that samples over a much larger area than floating chambers, and is amenable to use from a moving platform. We present eddy covariance carbon dioxide exchange measurements made using a small riverboat in rivers and lakes in the central Amazon near Santarem, Para, Brazil. Water-side carbon dioxide concentration was measured in situ, and the gas exchange coefficient was calculated. We found the piston velocity at a site on the Amazon River to be similar to existing ocean-based parameterizations, whereas the piston velocity at a site on the Tapajos River was roughly a factor 5 higher. We hypothesize that the enhanced gas exchange at the Tapajos site was due to a shallow upwind fetch. Our results demonstrate the feasibility of boat-based eddy covariance on these rivers, and also the utility of a mobile platform to investigate spatial variability of gas exchange.

Application of geometric approximation to the CPMG experiment: Two- and three-site exchange.

PubMed

Chao, Fa-An; Byrd, R Andrew

2017-04-01

The Carr-Purcell-Meiboom-Gill (CPMG) experiment is one of the most classical and well-known relaxation dispersion experiments in NMR spectroscopy, and it has been successfully applied to characterize biologically relevant conformational dynamics in many cases. Although the data analysis of the CPMG experiment for the 2-site exchange model can be facilitated by analytical solutions, the data analysis in a more complex exchange model generally requires computationally-intensive numerical analysis. Recently, a powerful computational strategy, geometric approximation, has been proposed to provide approximate numerical solutions for the adiabatic relaxation dispersion experiments where analytical solutions are neither available nor feasible. Here, we demonstrate the general potential of geometric approximation by providing a data analysis solution of the CPMG experiment for both the traditional 2-site model and a linear 3-site exchange model. The approximate numerical solution deviates less than 0.5% from the numerical solution on average, and the new approach is computationally 60,000-fold more efficient than the numerical approach. Moreover, we find that accurate dynamic parameters can be determined in most cases, and, for a range of experimental conditions, the relaxation can be assumed to follow mono-exponential decay. The method is general and applicable to any CPMG RD experiment (e.g. N, C', C α , H α , etc.) The approach forms a foundation of building solution surfaces to analyze the CPMG experiment for different models of 3-site exchange. Thus, the geometric approximation is a general strategy to analyze relaxation dispersion data in any system (biological or chemical) if the appropriate library can be built in a physically meaningful domain. Published by Elsevier Inc.

Deterministic Walks with Choice

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

Beeler, Katy E.; Berenhaut, Kenneth S.; Cooper, Joshua N.

2014-01-10

This paper studies deterministic movement over toroidal grids, integrating local information, bounded memory and choice at individual nodes. The research is motivated by recent work on deterministic random walks, and applications in multi-agent systems. Several results regarding passing tokens through toroidal grids are discussed, as well as some open questions.

LakeVOC; A Deterministic Model to Estimate Volatile Organic Compound Concentrations in Reservoirs and Lakes

USGS Publications Warehouse

Bender, David A.; Asher, William E.; Zogorski, John S.

2003-01-01

This report documents LakeVOC, a model to estimate volatile organic compound (VOC) concentrations in lakes and reservoirs. LakeVOC represents the lake or reservoir as a two-layer system and estimates VOC concentrations in both the epilimnion and hypolimnion. The air-water flux of a VOC is characterized in LakeVOC in terms of the two-film model of air-water exchange. LakeVOC solves the system of coupled differential equations for the VOC concentration in the epilimnion, the VOC concentration in the hypolimnion, the total mass of the VOC in the lake, the volume of the epilimnion, and the volume of the hypolimnion. A series of nine simulations were conducted to verify LakeVOC representation of mixing, dilution, and gas exchange characteristics in a hypothetical lake, and two additional estimates of lake volume and MTBE concentrations were done in an actual reservoir under environmental conditions. These 11 simulations showed that LakeVOC correctly handled mixing, dilution, and gas exchange. The model also adequately estimated VOC concentrations within the epilimnion in an actual reservoir with daily input parameters. As the parameter-input time scale increased (from daily to weekly to monthly, for example), the differences between the measured-averaged concentrations and the model-estimated concentrations generally increased, especially for the hypolimnion. This may be because as the time scale is increased from daily to weekly to monthly, the averaging of model inputs may cause a loss of detail in the model estimates.

Recharge at the Hanford Site: Status report

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

Gee, G.W.

A variety of field programs designed to evaluate recharge and other water balance components including precipitation, infiltration, evaporation, and water storage changes, have been carried out at the Hanford Site since 1970. Data from these programs have indicated that a wide range of recharge rates can occur depending upon specific site conditions. Present evidence suggests that minimum recharge occurs where soils are fine-textured and surfaces are vegetated with deep-rooted plants. Maximum recharge occurs where coarse soils or gravels exist at the surface and soils are kept bare. Recharge can occur in areas where shallow-rooted plants dominate the surface, particularly wheremore » soils are coarse-textured. Recharge estimates have been made for the site using simulation models. A US Geological Survey model that attempts to account for climate variability, soil storage parameters, and plant factors has calculated recharge values ranging from near zero to an average of about 1 cm/yr for the Hanford Site. UNSAT-H, a deterministic model developed for the site, appears to be the best code available for estimating recharge on a site-specific basis. Appendix I contains precipitation data from January 1979 to June 1987. 42 refs., 11 figs., 11 tabs.« less

Effect of chemical pollution on forms of 137Cs, 90Sr and 239,240Pu in arctic soil studied by sequential extraction.

PubMed

Puhakainen, M; Riekkinen, I; Heikkinen, T; Jaakkola, T; Steinnes, E; Rissanen, K; Suomela, M; Thørring, H

2001-01-01

The aim of the present study was to determine the forms of 137Cs, 90Sr and 239,240Pu occurring in different soil horizons using sequential extraction of samples taken from four sites located along a pollution gradient from the copper-nickel smelter at Monchegorsk in the Kola Peninsula, Russia, and from a reference site in Finnish Lapland in 1997. A selective sequential-leaching procedure was employed using a modification of the method of Tessier, Cambell and Bisson ((1979). Analytical Chemistry, 51, 844-851). For 137Cs the organic (O) and uppermost mineral (E1) layer were studied, for 90Sr and 239,240Pu only the uppermost organic layer (Of). The fraction of 137Cs occurring in readily exchangeable form in the organic layer was about 50% at the reference site and decreased as a function of pollution, being 15% at the most polluted site in the Kola Peninsula. There was a clear positive correlation in the O layer between the distance from the smelter and the percentage of 137Cs extracted in the readily exchangeable fraction (Spearman correlation rsp = 0.7805, p = 0.0001), whereas in the E1 layer no correlation was evident. The distribution of 90Sr in the Of layer was similar at all sites, with the highest amounts occurring in exchangeable form and bound to organic matter, whereas stable Sr showed a somewhat different distribution with the highest amount in the oxide fraction. Most of the 239,240Pu was bound to organic matter. Chemical pollution affected the exchangeable fraction of 239,240Pu, which was about 1% at the most polluted site and 4-6% at the other sites.

Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

DOEpatents

Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E. , Guillorn, Michael A.; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

2011-05-17

Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. A method includes depositing a catalyst particle on a surface of a substrate to define a deterministically located position; growing an aligned elongated nanostructure on the substrate, an end of the aligned elongated nanostructure coupled to the substrate at the deterministically located position; coating the aligned elongated nanostructure with a conduit material; removing a portion of the conduit material to expose the catalyst particle; removing the catalyst particle; and removing the elongated nanostructure to define a nanoconduit.

Human brain detects short-time nonlinear predictability in the temporal fine structure of deterministic chaotic sounds

NASA Astrophysics Data System (ADS)

Itoh, Kosuke; Nakada, Tsutomu

2013-04-01

Deterministic nonlinear dynamical processes are ubiquitous in nature. Chaotic sounds generated by such processes may appear irregular and random in waveform, but these sounds are mathematically distinguished from random stochastic sounds in that they contain deterministic short-time predictability in their temporal fine structures. We show that the human brain distinguishes deterministic chaotic sounds from spectrally matched stochastic sounds in neural processing and perception. Deterministic chaotic sounds, even without being attended to, elicited greater cerebral cortical responses than the surrogate control sounds after about 150 ms in latency after sound onset. Listeners also clearly discriminated these sounds in perception. The results support the hypothesis that the human auditory system is sensitive to the subtle short-time predictability embedded in the temporal fine structure of sounds.

A deterministic particle method for one-dimensional reaction-diffusion equations

NASA Technical Reports Server (NTRS)

Mascagni, Michael

1995-01-01

We derive a deterministic particle method for the solution of nonlinear reaction-diffusion equations in one spatial dimension. This deterministic method is an analog of a Monte Carlo method for the solution of these problems that has been previously investigated by the author. The deterministic method leads to the consideration of a system of ordinary differential equations for the positions of suitably defined particles. We then consider the time explicit and implicit methods for this system of ordinary differential equations and we study a Picard and Newton iteration for the solution of the implicit system. Next we solve numerically this system and study the discretization error both analytically and numerically. Numerical computation shows that this deterministic method is automatically adaptive to large gradients in the solution.

Solution structure and intramolecular exchange of methyl-cytosine binding domain protein 4 (MBD4) on DNA suggests a mechanism to scan for mCpG/TpG mismatches

PubMed Central

Walavalkar, Ninad M.; Cramer, Jason M.; Buchwald, William A.; Scarsdale, J. Neel; Williams, David C.

2014-01-01

Unlike other members of the methyl-cytosine binding domain (MBD) family, MBD4 serves as a potent DNA glycosylase in DNA mismatch repair specifically targeting mCpG/TpG mismatches arising from spontaneous deamination of methyl-cytosine. The protein contains an N-terminal MBD (MBD4MBD) and a C-terminal glycosylase domain (MBD4GD) separated by a long linker. This arrangement suggests that the MBD4MBD either directly augments enzymatic catalysis by the MBD4GD or targets the protein to regions enriched for mCpG/TpG mismatches. Here we present structural and dynamic studies of MBD4MBD bound to dsDNA. We show that MBD4MBD binds with a modest preference formCpG as compared to mismatch, unmethylated and hydroxymethylated DNA. We find that while MBD4MBD exhibits slow exchange between molecules of DNA (intermolecular exchange), the domain exhibits fast exchange between two sites in the same molecule of dsDNA (intramolecular exchange). Introducing a single-strand defect between binding sites does not greatly reduce the intramolecular exchange rate, consistent with a local hopping mechanism for moving along the DNA. These results support a model in which the MBD4MBD4 targets the intact protein to mCpG islands and promotes scanning by rapidly exchanging between successive mCpG sites which facilitates repair of nearby mCpG/TpG mismatches by the glycosylase domain. PMID:25183517

Policy for Establishing and Maintaining Publicly Accessible Department of Defense Web Information Service

DTIC Science & Technology

1997-07-18

the Marine Corps Exchange. If these sites contain commercial advertisements or sponsorships, the appropriate disclaimer below shall be given...or the information, products or services contained therein. For other than authorized activities such as military exchanges and Morale...posted to the commercial site. 4.9. Design Standards and Non-standard Features ( ActiveX and Java) 4.9.1. Design of publicly accessible web

Static magnetic susceptibility, crystal field and exchange interactions in rare earth titanate pyrochlores.

PubMed

Malkin, B Z; Lummen, T T A; van Loosdrecht, P H M; Dhalenne, G; Zakirov, A R

2010-07-14

The experimental temperature dependence (T = 2-300 K) of single crystal bulk and site susceptibilities of rare earth titanate pyrochlores R(2)Ti(2)O(7) (R = Sm, Eu, Gd, Tb, Dy, Ho, Er, Yb) is analyzed in the framework of crystal field theory and a mean field approximation. Analytical expressions for the site and bulk susceptibilities of the pyrochlore lattice are derived taking into account long range dipole-dipole interactions and anisotropic exchange interactions between the nearest neighbor rare earth ions. The sets of crystal field parameters and anisotropic exchange coupling constants have been determined and their variations along the lanthanide series are discussed.

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Turn on, fade out - methane exchange in a coastal fen over a period of six years after rewetting

NASA Astrophysics Data System (ADS)

Jurasinski, Gerald; Glatzel, Stephan; Hahn, Juliane; Koch, Stefan; Koch, Marian; Koebsch, Franziska

2016-04-01

The rewetting of drained peatlands is widely regarded as an adequate measure for the mitigation of greenhouse gas emissions. Therefore, especially in NE Germany, many peatlands are being rewetted. Our knowledge about greenhouse gas exchange associated with rewetting is mainly based on short-term experiments or space-for-time substitutions. These approaches do not consider the transient character of ecosystem acclimatization to flooding by rewetting. Moreover data in this regard on coastal peatland ecosystems are sparse. Here, we present 7 years of data on CH4-exchange in a coastal fen after rewetting by flooding. On the site „Rodewiese", which is located within the NSG "Hütelmoor und Heiligensee" in the Northeast of Rostock, NE Germany, we have established a long term research observatory addressing atmospheric C-exchange. The site is part of the TERENO network. Since summer 2009 we determine CH4 fluxes with closed chambers distributed widely across the study site and CO2-exchange with eddy covariance as well as ancillary data on vegetation, hydrology, and biogeochemistry. This talk addresses the CH4-exchange over time whereas CO2-exchange data are presented by Koebsch et al. in the same session. Rewetting turned the site from a summer dry fen with mean annual water levels of around -0.08m into a shallow lake with water levels up to 0.60m. In the first year after flooding, we observed a substantial die-back of vegetation, especially in stands of Carex acutiformis. Flooding increased methane release rates to extremely high levels of up to 4.3 t ha-1 a-1 for sedge stands and 2.7 t ha-1 a-1 on average, which amounts to 75.6 t ha-1 a-1 in CO2-equivalents. Thereafter, the averaged annual CH4 emissions decreased asymptotically and where at an average of 0.5 t ha-1 a-1 (14 t ha-1 a-1 in CO2-equivalents) in 2015. Factoring in the NEE of the growing season (from Eddy measurements) suggests that the system may be slightly above neutral with respect to the greenhouse warming potential of its atmospheric C-exchange 7 years after flooding. Analyses of peat and water biochemistry showed that the system had been destabilized in the first year following flooding and repeated vegetation analysis combined with remote sensing reveal strong and directed change in vegetation patterns. The successional development in atmospheric C-exchange in the 6 years after flooding hint at an adaptation of ecosystem functioning to the flooded conditions associated with reaching desirable annual rates of C-exchange and vegetation development during an acceptable time frame. However, high CH4 emissions and a slow recovery to lower CH4 emissions that likely occur directly after rewetting by flooding should be considered when forecasting the overall effect of rewetting on GHG exchange of a particular site.

Measurement of Magnetic Exchange in Asymmetric Lanthanide Dimetallics: Toward a Transferable Theoretical Framework.

PubMed

Giansiracusa, Marcus J; Moreno-Pineda, Eufemio; Hussain, Riaz; Marx, Raphael; Martínez Prada, María; Neugebauer, Petr; Al-Badran, Susan; Collison, David; Tuna, Floriana; van Slageren, Joris; Carretta, Stefano; Guidi, Tatiana; McInnes, Eric J L; Winpenny, Richard E P; Chilton, Nicholas F

2018-02-21

Magnetic exchange interactions within the asymmetric dimetallic compounds [hqH 2 ][Ln 2 (hq) 4 (NO 3 ) 3 ]·MeOH, (Ln = Er(III) and Yb(III), hqH = 8-hydroxyquinoline) have been directly probed with EPR spectroscopy and accurately modeled by spin Hamiltonian techniques. Exploitation of site selectivity via doping experiments in Y(III) and Lu(III) matrices yields simple EPR spectra corresponding to isolated Kramers doublets, allowing determination of the local magnetic properties of the individual sites within the dimetallic compounds. CASSCF-SO calculations and INS and far-IR measurements are all employed to further support the identification and modeling of the local electronic structure for each site. EPR spectra of the pure dimetallic compounds are highly featured and correspond to transitions within the lowest-lying exchange-coupled manifold, permitting determination of the highly anisotropic magnetic exchange between the lanthanide ions. We find a unique orientation for the exchange interaction, corresponding to a common elongated oxygen bridge for both isostructural analogs. This suggests a microscopic physical connection to the magnetic superexchange. These results are of fundamental importance for building and validating model microscopic Hamiltonians to understand the origins of magnetic interactions between lanthanides and how they may be controlled with chemistry.

Net summertime emission of ammonia from corn and triticale fields

NASA Astrophysics Data System (ADS)

Richter, Undine; Smith, Jeremy; Brümmer, Christian

2016-04-01

Recent advancements in laser spectrometry offer new opportunities to investigate ecosystem-atmosphere exchange of environmentally relevant trace gases. In this study, we used a quantum cascade laser (QCL) absorption spectrometer to continuously measure high-frequency concentrations of ammonia and the net exchange between an agricultural site and the atmosphere based on the eddy-covariance approach. The footprint was split into two main sectors, one planted with corn (Zea mays) and the other one with triticale. Ammonia concentrations were highly variable between 2 and almost 100 ppb with an average value of 8.1 ppb during the observation period from April to September 2015. While both deposition and emission of ammonia was observed, the total campaign exchange resulted in a loss of 3.3 kg NH3-N ha-1. Highest average emission fluxes of 65 ng N m-2 s-1 were recorded after fertilization at the beginning of the campaign in April and May. Afterwards the exchange of ammonia with the atmosphere decreased considerably, but the site remained on average a consistent source with sporadic lower peaks and an average flux of 13 ng N m-2 s-1. While management in the form of fertilization was the main driver for ammonia concentration and exchange at the site, biophysical controls from temperature, wind regime, and surface wetness are also presented.

Correlation between pairing initiation sites, recombination nodules and meiotic recombination in Sordaria macrospora.

PubMed

Zickler, D; Moreau, P J; Huynh, A D; Slezec, A M

1992-09-01

The decrease of meiotic exchanges (crossing over and conversion) in two mutants of Sordaria macrospora correlated strongly with a reduction of chiasmata and of both types of "recombination nodules." Serial section reconstruction electron microscopy was used to compare the synapsis pattern of meiotic prophase I in wild type and mutants. First, synapsis occurred but the number of synaptonemal complex initiation sites was reduced in both mutants. Second, this reduction was accompanied by, or resulted in, modifications of the pattern of synapsis. Genetic and synaptonemal complex maps were compared in three regions along one chromosome arm divided into well marked intervals. Reciprocal exchange frequencies and number of recombination nodules correlated in wild type in the three analyzed intervals, but disparity was found between the location of recombination nodules and exchanges in the mutants. Despite the twofold exchange decrease, sections of the genome such as the short arm of chromosome 2 and telomere regions were sheltered from nodule decrease and from pairing modifications. This indicated a certain amount of diversity in the control of these features and suggested that exchange frequency was dependent not only on the amount of effective pairing but also on the localization of the pairing sites, as revealed by the synaptonemal complex progression in the mutants.

Correlation between Pairing Initiation Sites, Recombination Nodules and Meiotic Recombination in Sordaria Macrospora

PubMed Central

Zickler, D.; Moreau, PJF.; Huynh, A. D.; Slezec, A. M.

1992-01-01

The decrease of meiotic exchanges (crossing over and conversion) in two mutants of Sordaria macrospora correlated strongly with a reduction of chiasmata and of both types of ``recombination nodules.'' Serial section reconstruction electron microscopy was used to compare the synapsis pattern of meiotic prophase I in wild type and mutants. First, synapsis occurred but the number of synaptonemal complex initiation sites was reduced in both mutants. Second, this reduction was accompanied by, or resulted in, modifications of the pattern of synapsis. Genetic and synaptonemal complex maps were compared in three regions along one chromosome arm divided into well marked intervals. Reciprocal exchange frequencies and number of recombination nodules correlated in wild type in the three analyzed intervals, but disparity was found between the location of recombination nodules and exchanges in the mutants. Despite the twofold exchange decrease, sections of the genome such as the short arm of chromosome 2 and telomere regions were sheltered from nodule decrease and from pairing modifications. This indicated a certain amount of diversity in the control of these features and suggested that exchange frequency was dependent not only on the amount of effective pairing but also on the localization of the pairing sites, as revealed by the synaptonemal complex progression in the mutants. PMID:1398050

Deterministic and Stochastic Analysis of a Prey-Dependent Predator-Prey System

ERIC Educational Resources Information Center

Maiti, Alakes; Samanta, G. P.

2005-01-01

This paper reports on studies of the deterministic and stochastic behaviours of a predator-prey system with prey-dependent response function. The first part of the paper deals with the deterministic analysis of uniform boundedness, permanence, stability and bifurcation. In the second part the reproductive and mortality factors of the prey and…

ShinyGPAS: interactive genomic prediction accuracy simulator based on deterministic formulas.

PubMed

Morota, Gota

2017-12-20

Deterministic formulas for the accuracy of genomic predictions highlight the relationships among prediction accuracy and potential factors influencing prediction accuracy prior to performing computationally intensive cross-validation. Visualizing such deterministic formulas in an interactive manner may lead to a better understanding of how genetic factors control prediction accuracy. The software to simulate deterministic formulas for genomic prediction accuracy was implemented in R and encapsulated as a web-based Shiny application. Shiny genomic prediction accuracy simulator (ShinyGPAS) simulates various deterministic formulas and delivers dynamic scatter plots of prediction accuracy versus genetic factors impacting prediction accuracy, while requiring only mouse navigation in a web browser. ShinyGPAS is available at: https://chikudaisei.shinyapps.io/shinygpas/ . ShinyGPAS is a shiny-based interactive genomic prediction accuracy simulator using deterministic formulas. It can be used for interactively exploring potential factors that influence prediction accuracy in genome-enabled prediction, simulating achievable prediction accuracy prior to genotyping individuals, or supporting in-class teaching. ShinyGPAS is open source software and it is hosted online as a freely available web-based resource with an intuitive graphical user interface.

Ecosystem CO2 Exchange Across Semiarid Southwestern North America: A Synthesis of Multi-Year Flux Site Observations and its Comparison with Estimates from Terrestrial Biome Models and Remote Sensing

NASA Astrophysics Data System (ADS)

Biederman, J. A.; Scott, R. L.; Goulden, M.; Litvak, M. E.; Kolb, T.; Yepez, E. A.; Garatuza, J.; Oechel, W. C.; Krofcheck, D. J.; Ponce-Campos, G. E.; Bowling, D. R.; Meyers, T. P.; Maurer, G.

2016-12-01

Global carbon cycle studies reveal that semiarid ecosystems dominate the increasing trend and interannual variability of the land CO2 sink. However, the regional terrestrial biome models (TBM) and remote sensing products (RSP) used in large-scale analyses are poorly constrained by ecosystem flux measurements in semiarid regions, which are under-represented in global flux datasets. Here we present eddy covariance measurements from 25 diverse ecosystems in semiarid southwestern North America with ranges in annual precipitation of 100 - 1000 mm, annual temperatures of 2 - 25 °C, and records of 3 - 10 years each (150 site-years in total). We identified seven subregions with unique seasonal dynamics in climate and ecosystem-atmosphere exchange, including net and gross CO2 exchange (photosynthesis and respiration) and evapotranspiration (ET), and we evaluated how well measured dynamics were captured by satellite-based greenness observations of the Enhanced Vegetation Index (EVI). Annual flux integrals were calculated based on site-appropriate ecohydrologic years. Net ecosystem production (NEP) varied between -550 and + 420 g C m-2, highlighting the wide range of regional sink/source function. Annual photosynthesis and respiration were positively related to water availability but were suppressed in warmer years at a given site and at climatically warmer sites, in contrast to positive temperature responses at wetter sites. When precipitation anomalies were spatially coherent across sites (e.g. related to El Niño Southern Oscillation), we found large regional annual anomalies in net and gross CO2 uptake. TBM and RSP were less effective in capturing spatial gradients in mean ET and CO2 exchange across this semiarid region as compared to wetter regions. Measured interannual variability of ET and gross CO2 exchange was 3 - 5 times larger than estimates from TBM or RSP. These results suggest that semiarid regions play an even larger role in regulating interannual variability of the global carbon cycle than currently estimated by models and remote sensing. In on-going work, we expand this spatial-temporal analysis across a broader gradient of water availability using the Fluxnet 2015 dataset.

Old and Not-So-Old: Examining Changes in Forest Ecosystem Carbon Exchange With Stand Age in the Upper Midwest U.S.

NASA Astrophysics Data System (ADS)

Desai, A. R.; Cook, B.; Davis, K. J.; Bolstad, P.; Carey, E.; Martin, J.; Kreller, L.; Wang, W.

2003-12-01

Forest stand age is an important determinant of ecosystem carbon uptake. Though there are biometric measurements and ecological models for forests of all ages, there are few stand-scale eddy-flux measurements of net carbon exchange in older forests, though the number is increasing. In order to scale carbon fluxes from sites to regions, where stands of multiple ages may exist, it is necessary to measure to the effect of stand age on carbon exchange. Measuring the effect of stand age on carbon exchange is also necessary when trying to predict future or past carbon exchange (scaling across time). Many researchers have noted that site disturbance history is the fundamental factor in determining carbon uptake by forests over time scales of decades to centuries. The 8,500 ha Sylvania Wilderness in the upper peninsula of Michigan is one of several large tracts of old-growth forest in the Midwest. Trees range from 0-350 years old. Primary species are sugar maple, eastern hemlock and yellow birch. Catastrophic disturbance is rare. A research plot near the wilderness was established in late 2001 to measure the net ecosystem exchange (NEE) of carbon and water using eddy-flux, component flux and biometric methods. This site is part of the Chequamegon Ecosystem Atmosphere Study (ChEAS, http://cheas.psu.edu), a loose affiliation of researchers conducting carbon and water research in northern Wisconsin and upper Michigan. Another similar research plot within ChEAS and not far from Sylvania is the Willow Creek mature uplands site. This forest is about 70 years old and the primary species are sugar maple, basswood and green ash. The site had presettlement old-growth vegetation similar to what is currently seen in the Sylvania Wilderness. Thus, the carbon exchange seen at Sylvania may be representative of carbon uptake at Willow Creek had it not been logged in the early 20th century, and may also represent the future (or past) carbon uptake for similar forests in northern Wisconsin/upper Michigan. Initial results from 2002 show that both Sylvania and Willow Creek were sinks of carbon, though the annual NEE of carbon at Sylvania was only -72 gC/m2/yr, while it was -447 gC/m2/yr at Willow Creek. The lack of carbon balance at the old-growth site may be caused by growth enhancement due to carbon/nutrient fertilization, climate warming, or recent local-scale disturbances. A standard moving-window Arrenhius-style temperature-nighttime NEE relationship was used to separate total ecosystem respiration from gross ecosystem production (GEP). Total annual respiration was much greater at Sylvania (965 gC/m2/yr) than Willow Creek (667 gC/m2/yr), while GEP at Sylvania (1045 gC/m2/yr) was only slightly smaller than Willow Creek (1136 gC/m2/yr). The largest differences in respiration between the two sites occurred in early summer, whereas the largest difference in GEP occurred in late summer. The observed differences between the two sites matches well with theory. Ecosystem respiration is expected to increase steadily with stand age while gross ecosystem production is expected to increase rapidly as new species are established, but eventually level off. Current ongoing component flux measurements will help determine the mechanisms for the observed differences in carbon uptake at the two sites and provide insight on the causes of declining carbon exchange with stand age.

Earthquake induced liquefaction hazard, probability and risk assessment in the city of Kolkata, India: its historical perspective and deterministic scenario

NASA Astrophysics Data System (ADS)

Nath, Sankar Kumar; Srivastava, Nishtha; Ghatak, Chitralekha; Adhikari, Manik Das; Ghosh, Ambarish; Sinha Ray, S. P.

2018-01-01

Liquefaction-induced ground failure is one amongst the leading causes of infrastructure damage due to the impact of large earthquakes in unconsolidated, non-cohesive, water saturated alluvial terrains. The city of Kolkata is located on the potentially liquefiable alluvial fan deposits of Ganga-Bramhaputra-Meghna Delta system with subsurface litho-stratigraphic sequence comprising of varying percentages of clay, cohesionless silt, sand, and gravel interbedded with decomposed wood and peat. Additionally, the region has moderately shallow groundwater condition especially in the post-monsoon seasons. In view of burgeoning population, there had been unplanned expansion of settlements in the hazardous geological, geomorphological, and hydrological conditions exposing the city to severe liquefaction hazard. The 1897 Shillong and 1934 Bihar-Nepal earthquakes both of M w 8.1 reportedly induced Modified Mercalli Intensity of IV-V and VI-VII respectively in the city reportedly triggering widespread to sporadic liquefaction condition with surface manifestation of sand boils, lateral spreading, ground subsidence, etc., thus posing a strong case for liquefaction potential analysis in the terrain. With the motivation of assessing seismic hazard, vulnerability, and risk of the city of Kolkata through a consorted federal funding stipulated for all the metros and upstart urban centers in India located in BIS seismic zones III, IV, and V with population more than one million, an attempt has been made here to understand the liquefaction susceptibility condition of Kolkata under the impact of earthquake loading employing modern multivariate techniques and also to predict deterministic liquefaction scenario of the city in the event of a probabilistic seismic hazard condition with 10% probability of exceedance in 50 years and a return period of 475 years. We conducted in-depth geophysical and geotechnical investigations in the city encompassing 435 km2 area. The stochastically synthesized bedrock ground motion for both the 1897 and 1934 earthquakes on non-linear analysis of local site conditions through DEEPSOIL Geotechnical analysis package present surface level peak ground acceleration of the order of 0.05-0.14 g for the 1934 Bihar-Nepal earthquake while for the 1897 Shillong earthquake it is found to be in the range of 0.03-0.11 g. The factor of safety (FOS) against liquefaction, the probability of liquefaction ( P L), the liquefaction potential index (LPI), and the liquefaction risk index are estimated under the influence of these two earthquakes wherein the city is classified into severe (LPI > 15), high (5 < LPI ≤ 15), moderate (0 < LPI ≤ 5), and non-liquefiable (LPI = 0) susceptibility zones. While the 1934 Bihar-Nepal earthquake induced moderate to severe liquefaction hazard condition in the city in mostly the deltaic plain and interdistributary marsh geomorphologic units with 13.5% sites exhibiting moderate hazard with a median LPI of 1.8, 8.5% sites depicting high with a median LPI of 9.1 and 4% sites with a median LPI of 18.9 exhibiting severe hazard condition, 1897 Shillong earthquake induced mostly non-liquefaction condition with very few sites depicting moderate and high liquefaction hazard. A conservative liquefaction hazard scenario of the city on the other hand estimated through deterministic approach for 10% probability of exceedance in 50 years predicts a high hazard zone in the 3.5-19 m depth region with FOS < 1 and P L > 65% comprising of coarse-grained sediments of sand, silty sand, and clayey silty sand in mostly the deltaic plain geomorphologic unit with 39.1% sites depicting severe liquefaction hazard with a median LPI of 28.3. A non-linear regression analysis on both the historical and deterministic liquefaction scenarios in P L versus LPI domain with ± 1 standard deviation confidence bound generated a cubic polynomial relationship between the two liquefaction hazard proxies. This study considered a bench mark for other cities in the country and elsewhere forms an integral part of the mega-seismic microzonation endeavors undertaken in all the earthquake-prone counties in the world.

Ionic Diffusion in Cu6PS5Br Studied by 63Cu NMR

NASA Astrophysics Data System (ADS)

Ohki, H.; Harazono, K.; Erata, T.; Tasaki, A.; Ikeda, R.

1993-10-01

Applying 63Cu NMR technique, we observed exchange between the nonequivalent copper sites in crystalline Cu6PS5Br, known as a member of the mineral "argyrodite". Below 200 K, where the motion of the copper (I) ion is slow, we could distinguish several nonequivalent copper sites. On increasing the temperature, the chemical exchange between the nonequivalent cation sites was seen on the 63Cu NMR spectra. We could determine the activation energy for this motion to be 35 kJ mol-1 , in good agreement with the published ionic conductivity.

Tsunamigenic scenarios for southern Peru and northern Chile seismic gap: Deterministic and probabilistic hybrid approach for hazard assessment

NASA Astrophysics Data System (ADS)

González-Carrasco, J. F.; Gonzalez, G.; Aránguiz, R.; Yanez, G. A.; Melgar, D.; Salazar, P.; Shrivastava, M. N.; Das, R.; Catalan, P. A.; Cienfuegos, R.

2017-12-01

Plausible worst-case tsunamigenic scenarios definition plays a relevant role in tsunami hazard assessment focused in emergency preparedness and evacuation planning for coastal communities. During the last decade, the occurrence of major and moderate tsunamigenic earthquakes along worldwide subduction zones has given clues about critical parameters involved in near-field tsunami inundation processes, i.e. slip spatial distribution, shelf resonance of edge waves and local geomorphology effects. To analyze the effects of these seismic and hydrodynamic variables over the epistemic uncertainty of coastal inundation, we implement a combined methodology using deterministic and probabilistic approaches to construct 420 tsunamigenic scenarios in a mature seismic gap of southern Peru and northern Chile, extended from 17ºS to 24ºS. The deterministic scenarios are calculated using a regional distribution of trench-parallel gravity anomaly (TPGA) and trench-parallel topography anomaly (TPTA), three-dimensional Slab 1.0 worldwide subduction zones geometry model and published interseismic coupling (ISC) distributions. As result, we find four higher slip deficit zones interpreted as major seismic asperities of the gap, used in a hierarchical tree scheme to generate ten tsunamigenic scenarios with seismic magnitudes fluctuates between Mw 8.4 to Mw 8.9. Additionally, we construct ten homogeneous slip scenarios as inundation baseline. For the probabilistic approach, we implement a Karhunen - Loève expansion to generate 400 stochastic tsunamigenic scenarios over the maximum extension of the gap, with the same magnitude range of the deterministic sources. All the scenarios are simulated through a non-hydrostatic tsunami model Neowave 2D, using a classical nesting scheme, for five coastal major cities in northern Chile (Arica, Iquique, Tocopilla, Mejillones and Antofagasta) obtaining high resolution data of inundation depth, runup, coastal currents and sea level elevation. The probabilistic kinematic tsunamigenic scenarios give a more realistic slip patterns, similar to maximum slip amount of major past earthquakes. For all studied sites, the peak of slip location and shelf resonance is a first order control for the observed coastal inundation depths results.

Theory and applications survey of decentralized control methods

NASA Technical Reports Server (NTRS)

Athans, M.

1975-01-01

A nonmathematical overview is presented of trends in the general area of decentralized control strategies which are suitable for hierarchical systems. Advances in decentralized system theory are closely related to advances in the so-called stochastic control problem with nonclassical information pattern. The basic assumptions and mathematical tools pertaining to the classical stochastic control problem are outlined. Particular attention is devoted to pitfalls in the mathematical problem formulation for decentralized control. Major conclusions are that any purely deterministic approach to multilevel hierarchical dynamic systems is unlikely to lead to realistic theories or designs, that the flow of measurements and decisions in a decentralized system should not be instantaneous and error-free, and that delays in information exchange in a decentralized system lead to reasonable approaches to decentralized control. A mathematically precise notion of aggregating information is not yet available.

Particle statistics and lossy dynamics of ultracold atoms in optical lattices

NASA Astrophysics Data System (ADS)

Yago Malo, J.; van Nieuwenburg, E. P. L.; Fischer, M. H.; Daley, A. J.

2018-05-01

Experimental control over ultracold quantum gases has made it possible to investigate low-dimensional systems of both bosonic and fermionic atoms. In closed one-dimensional systems there are many similarities in the dynamics of local quantities for spinless fermions and strongly interacting "hard-core" bosons, which on a lattice can be formalized via a Jordan-Wigner transformation. In this study, we analyze the similarities and differences for spinless fermions and hard-core bosons on a lattice in the presence of particle loss. The removal of a single fermion causes differences in local quantities compared with the bosonic case because of the different particle exchange symmetry in the two cases. We identify deterministic and probabilistic signatures of these dynamics in terms of local particle density, which could be measured in ongoing experiments with quantum gas microscopes.

Dynamics and thermodynamics of open chemical networks

NASA Astrophysics Data System (ADS)

Esposito, Massimiliano

Open chemical networks (OCN) are large sets of coupled chemical reactions where some of the species are chemostated (i.e. continuously restored from the environment). Cell metabolism is a notable example of OCN. Two results will be presented. First, dissipation in OCN operating in nonequilibrium steady-states strongly depends on the network topology (algebraic properties of the stoichiometric matrix). An application to oligosaccharides exchange dynamics performed by so-called D-enzymes will be provided. Second, at low concentration the dissipation of OCN is in general inaccurately predicted by deterministic dynamics (i.e. nonlinear rate equations for the species concentrations). In this case a description in terms of the chemical master equation is necessary. A notable exception is provided by so-called deficiency zero networks, i.e. chemical networks with no hidden cycles present in the graph of reactant complexes.

47 CFR 61.72 - Public information requirements.

Code of Federal Regulations, 2010 CFR

2010-10-01

... an incumbent local exchange carrier, and chooses to establish an Internet web site, must make its tariffs available on that web site, in addition to the Commission's web site. [64 FR 46592, Aug. 26, 1999] ...

47 CFR 61.72 - Public information requirements.

Code of Federal Regulations, 2011 CFR

2011-10-01

... an incumbent local exchange carrier, and chooses to establish an Internet web site, must make its tariffs available on that web site, in addition to the Commission's web site. [64 FR 46592, Aug. 26, 1999] ...

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Code of Federal Regulations, 2014 CFR

2014-10-01

... an incumbent local exchange carrier, and chooses to establish an Internet web site, must make its tariffs available on that web site, in addition to the Commission's web site. [64 FR 46592, Aug. 26, 1999] ...

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Code of Federal Regulations, 2013 CFR

2013-10-01

... an incumbent local exchange carrier, and chooses to establish an Internet web site, must make its tariffs available on that web site, in addition to the Commission's web site. [64 FR 46592, Aug. 26, 1999] ...

47 CFR 61.72 - Public information requirements.

Code of Federal Regulations, 2012 CFR

2012-10-01

... an incumbent local exchange carrier, and chooses to establish an Internet web site, must make its tariffs available on that web site, in addition to the Commission's web site. [64 FR 46592, Aug. 26, 1999] ...

The hydraulic conductance of Fraxinus ornus leaves is constrained by soil water availability and coordinated with gas exchange rates.

PubMed

Gortan, Emmanuelle; Nardini, Andrea; Gascó, Antonio; Salleo, Sebastiano

2009-04-01

Leaf hydraulic conductance (Kleaf) is known to be an important determinant of plant gas exchange and photosynthesis. Little is known about the long-term impact of different environmental factors on the hydraulic construction of leaves and its eventual consequences on leaf gas exchange. In this study, we investigate the impact of soil water availability on Kleaf of Fraxinus ornus L. as well as the influence of Kleaf on gas exchange rates and plant water status. With this aim, Kleaf, leaf conductance to water vapour (gL), leaf water potential (Psileaf) and leaf mass per area (LMA) were measured in F. ornus trees, growing in 21 different sites with contrasting water availability. Plants growing in arid sites had lower Kleaf, gL and Psileaf than those growing in sites with higher water availability. On the contrary, LMA was similar in the two groups. The Kleaf values recorded in sites with two different levels of soil water availability were constantly different from each other regardless of the amount of precipitation recorded over 20 days before measurements. Moreover, Kleaf was correlated with gL values. Our data suggest that down-regulation of Kleaf is a component of adaptation of plants to drought-prone habitats. Low Kleaf implies reduced gas exchange which may, in turn, influence the climatic conditions on a local/regional scale. It is concluded that leaf hydraulics and its changes in response to resource availability should receive greater attention in studies aimed at modelling biosphere-atmosphere interactions.

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Carbon dioxide exchange between an undisturbed old-growth temperate forest and the atmosphere

Treesearch

D.Y. Hollinger; F.M. Kelliher; J.N. Byers; J.E. Hunt; T.M. McSeveny; P.L. Weir

1994-01-01

We used the eddy-correlation technique to investigate the exchange of C02 between an undisturbed old-growth forest and the atmosphere at a remote Southern Hemisphere site on 15 d between 1989 and 1990. Our goal was to determine how environmental factors regulate ecosystem CO2 exchange, and to test whether present knowledge...

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Ca, Sr and Ba stable isotopes reveal the fate of soil nutrients along a tropical climosequence

USGS Publications Warehouse

Bullen, Thomas D.; Chadwick, Oliver A.

2016-01-01

Nutrient biolifting is an important pedogenic process in which plant roots obtain inorganic nutrients such as phosphorus (P) and calcium (Ca) from minerals at depth and concentrate those nutrients at the surface. Here we use soil chemistry and stable isotopes of the alkaline earth elements Ca, strontium (Sr) and barium (Ba) to test the hypothesis that biolifting of P has been an important pedogenic process across a soil climosequence developed on volcanic deposits at Kohala Mountain, Hawaii. The geochemical linkage between these elements is revealed as generally positive site-specific relationships in soil mass gains and losses, particularly for P, Ba and Ca, using the ratio of immobile elements titanium and niobium (Ti/Nb) to link individual soil samples to a restricted compositional range of the chemically and isotopically diverse volcanic parent materials. At sites where P is enriched in surface soils relative to abundances in deeper soils, the isotope compositions of exchangeable Ca, Sr and Ba in the shallowest soil horizons (< 10 cm depth) are lighter than those of the volcanic parent materials and trend toward those of plants growing on fresh volcanic deposits. In contrast the isotope composition of exchangeable Ba in deeper soil horizons (> 10 cm depth) at those sites is consistently heavier than the volcanic parent materials. The isotope compositions of exchangeable Ca and Sr trend toward heavier compositions with depth more gradually, reflecting increasing leakiness from these soils in the order Ba < Sr < Ca and downward transfer of light biocycled Ca and Sr to deeper exchange sites. Given the long-term stability of ecosystem properties at the sites where P is enriched in surface soils, a simple box model demonstrates that persistence of isotopically light exchangeable Ca, Sr and Ba in the shallowest soil horizons requires that the uptake flux to plants from those near-surface layers is less than the recycling flux returned to the surface as litterfall. This observation implicates an uptake flux from an additional source which we attribute to biolifting. We view the heavy exchangeable Ba relative to soil parent values in deeper soils at sites where P is enriched in surface soils, and indeed at all but the wettest site across the climosequence, to represent the complement of an isotopically light Ba fraction removed from these soils by plant roots consistent with the biolifting hypothesis. We further suggest that decreasing heaviness of depth-integrated exchangeable Ba in deeper soils with increasing median annual precipitation across the climosequence reflects greater reliance on shallow nutrient sources as site water balance increases. While the Ca, Sr and Ba isotopes considered together were useful in confirming an important role for nutrient biolifting across the climosequence, the Ba isotopes provided the most robust tracer of biolifting and have the greatest potential to find application as an isotopic proxy for P dynamics in soils.

Site-Specific Hydrogen Isotope Composition of Propane: Mass spectrometric methods, equilibrium temperature dependence, and kinetics of exchange

NASA Astrophysics Data System (ADS)

Xie, H.; Ponton, C.; Kitchen, N.; Lloyd, M. K.; Lawson, M.; Formolo, M. J.; Eiler, J. M.

2016-12-01

Intramolecular isotope ordering can constrain temperatures of synthesis, mechanisms of formation, and/or source substrates of organic compounds. Here we explore site-specific hydrogen isotope variations of propane. Statistical thermodynamic models predict that at equilibrium methylene hydrogen (-CH2-) in propane will be 10's of per mil higher in D/H ratio than methyl hydrogen (-CH3) at geologically relevant temperatures, and that this difference is highly temperature dependent ( 0.5-1 ‰/°C). Chemical-kinetic controls on site-specific D/H in propane could constrain the mechanisms, conditions and extents of propane synthesis or destruction. We have developed a method for measuring the difference in D/H ratio between methylene and methyl hydrogen in propane by gas source mass spectrometry. The data were measured using the Thermo Fisher Double Focusing Sector high resolution mass spectrometer (DFS), and involve comparison of the D/H ratios of molecular ion (C3H8+) and the ethyl fragmental ion (C2H5+). We demonstrate the accuracy and precision of this method through analysis of D-labeled and independently analyzed propanes. In the exchange experiments, propane was heated (100-200 oC) either alone or in the presence of D-enriched water (δD=1,1419 ‰ SMOW), with or without one of several potentially catalytic substrates for hours to weeks. Propane was found to exchange hydrogen with water vigorously at 200 °C in the presence of metal catalysts. In the presence of Ni catalyst, methylene hydrogen exchanges 2.5 times faster than methyl hydrogen. Hydrogen exchange in the presence of Pd catalyst is more effective and can equilibrate hydrogen isotope distribution on propane on the order of 7 days. Isotopic exchange in the presence of natural materials have also been tested, but is only measurable in the methylene group at 200 °C. High catalytic activity of Pd permits attainment of a bracketed, time-invariant equilibrium state that we use to calibrate the site-specific thermometer; these experiments also provide a reference frame for reporting mass spectrometric data. Differential H-exchange rates of the two molecular sites in propane could be a new tool to constrain thermal history of sub-surface propane. Our experimental and mass spectrometric approaches should be generalizable to other hydrocarbon compounds.

Bifunctional anion-exchange resins with improved selectivity and exchange kinetics

DOEpatents

Alexandratos, Spiro D.; Brown, Gilbert M.; Bonnesen, Peter V.; Moyer, Bruce A.

2000-01-01

Disclosed herein are a class of anion exchange resins containing two different exchange sites with improved selectivity and sorptive capability for chemical species in solution, such as heptavalent technetium (as pertechnetate anion, TcO.sub.4.sup.-). The resins are prepared by first reacting haloalkylated crosslinked copolymer beads with a large tertiary amine in a solvent in which the resin beads can swell, followed by reaction with a second, smaller, tertiary amine to more fully complete the functionalization of the resin. The resins have enhanced selectivity, capacity, and exchange kinetics.

Cation Exchange in the Presence of Oil in Porous Media

PubMed Central

2017-01-01

Cation exchange is an interfacial process during which cations on a clay surface are replaced by other cations. This study investigates the effect of oil type and composition on cation exchange on rock surfaces, relevant for a variety of oil-recovery processes. We perform experiments in which brine with a different composition than that of the in situ brine is injected into cores with and without remaining oil saturation. The cation-exchange capacity (CEC) of the rocks was calculated using PHREEQC software (coupled to a multipurpose transport simulator) with the ionic composition of the effluent histories as input parameters. We observe that in the presence of crude oil, ion exchange is a kinetically controlled process and its rate depends on residence time of the oil in the pore, the temperature, and kinetic rate of adsorption of the polar groups on the rock surface. The cation-exchange process occurs in two stages during two phase flow in porous media. Initially, the charged sites of the internal surface of the clays establish a new equilibrium by exchanging cations with the aqueous phase. At later stages, the components of the aqueous and oleic phases compete for the charged sites on the external surface or edges of the clays. When there is sufficient time for crude oil to interact with the rock (i.e., when the core is aged with crude oil), a fraction of the charged sites are neutralized by the charged components stemming from crude oil. Moreover, the positively charged calcite and dolomite surfaces (at the prevailing pH environment of our experiments) are covered with the negatively charged components of the crude oil and therefore less mineral dissolution takes place when oil is present in porous media. PMID:28580442

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

Yang, Y M; Bush, K; Han, B

Purpose: Accurate and fast dose calculation is a prerequisite of precision radiation therapy in modern photon and particle therapy. While Monte Carlo (MC) dose calculation provides high dosimetric accuracy, the drastically increased computational time hinders its routine use. Deterministic dose calculation methods are fast, but problematic in the presence of tissue density inhomogeneity. We leverage the useful features of deterministic methods and MC to develop a hybrid dose calculation platform with autonomous utilization of MC and deterministic calculation depending on the local geometry, for optimal accuracy and speed. Methods: Our platform utilizes a Geant4 based “localized Monte Carlo” (LMC) methodmore » that isolates MC dose calculations only to volumes that have potential for dosimetric inaccuracy. In our approach, additional structures are created encompassing heterogeneous volumes. Deterministic methods calculate dose and energy fluence up to the volume surfaces, where the energy fluence distribution is sampled into discrete histories and transported using MC. Histories exiting the volume are converted back into energy fluence, and transported deterministically. By matching boundary conditions at both interfaces, deterministic dose calculation account for dose perturbations “downstream” of localized heterogeneities. Hybrid dose calculation was performed for water and anthropomorphic phantoms. Results: We achieved <1% agreement between deterministic and MC calculations in the water benchmark for photon and proton beams, and dose differences of 2%–15% could be observed in heterogeneous phantoms. The saving in computational time (a factor ∼4–7 compared to a full Monte Carlo dose calculation) was found to be approximately proportional to the volume of the heterogeneous region. Conclusion: Our hybrid dose calculation approach takes advantage of the computational efficiency of deterministic method and accuracy of MC, providing a practical tool for high performance dose calculation in modern RT. The approach is generalizable to all modalities where heterogeneities play a large role, notably particle therapy.« less

CO2 exchange and evapotranspiration across dryland ecosystems of southwestern North America.

PubMed

Biederman, Joel A; Scott, Russell L; Bell, Tom W; Bowling, David R; Dore, Sabina; Garatuza-Payan, Jaime; Kolb, Thomas E; Krishnan, Praveena; Krofcheck, Dan J; Litvak, Marcy E; Maurer, Gregory E; Meyers, Tilden P; Oechel, Walter C; Papuga, Shirley A; Ponce-Campos, Guillermo E; Rodriguez, Julio C; Smith, William K; Vargas, Rodrigo; Watts, Christopher J; Yepez, Enrico A; Goulden, Michael L

2017-10-01

Global-scale studies suggest that dryland ecosystems dominate an increasing trend in the magnitude and interannual variability of the land CO 2 sink. However, such analyses are poorly constrained by measured CO 2 exchange in drylands. Here we address this observation gap with eddy covariance data from 25 sites in the water-limited Southwest region of North America with observed ranges in annual precipitation of 100-1000 mm, annual temperatures of 2-25°C, and records of 3-10 years (150 site-years in total). Annual fluxes were integrated using site-specific ecohydrologic years to group precipitation with resulting ecosystem exchanges. We found a wide range of carbon sink/source function, with mean annual net ecosystem production (NEP) varying from -350 to +330 gCm -2 across sites with diverse vegetation types, contrasting with the more constant sink typically measured in mesic ecosystems. In this region, only forest-dominated sites were consistent carbon sinks. Interannual variability of NEP, gross ecosystem production (GEP), and ecosystem respiration (R eco ) was larger than for mesic regions, and half the sites switched between functioning as C sinks/C sources in wet/dry years. The sites demonstrated coherent responses of GEP and NEP to anomalies in annual evapotranspiration (ET), used here as a proxy for annually available water after hydrologic losses. Notably, GEP and R eco were negatively related to temperature, both interannually within site and spatially across sites, in contrast to positive temperature effects commonly reported for mesic ecosystems. Models based on MODIS satellite observations matched the cross-site spatial pattern in mean annual GEP but consistently underestimated mean annual ET by ~50%. Importantly, the MODIS-based models captured only 20-30% of interannual variation magnitude. These results suggest the contribution of this dryland region to variability of regional to global CO 2 exchange may be up to 3-5 times larger than current estimates. Published 2017. This article is a U.S. Government work and is in the public domain in the USA.

The past, present and future of cyber-physical systems: a focus on models.

PubMed

Lee, Edward A

2015-02-26

This paper is about better engineering of cyber-physical systems (CPSs) through better models. Deterministic models have historically proven extremely useful and arguably form the kingpin of the industrial revolution and the digital and information technology revolutions. Key deterministic models that have proven successful include differential equations, synchronous digital logic and single-threaded imperative programs. Cyber-physical systems, however, combine these models in such a way that determinism is not preserved. Two projects show that deterministic CPS models with faithful physical realizations are possible and practical. The first project is PRET, which shows that the timing precision of synchronous digital logic can be practically made available at the software level of abstraction. The second project is Ptides (programming temporally-integrated distributed embedded systems), which shows that deterministic models for distributed cyber-physical systems have practical faithful realizations. These projects are existence proofs that deterministic CPS models are possible and practical.

The Past, Present and Future of Cyber-Physical Systems: A Focus on Models

PubMed Central

Lee, Edward A.

2015-01-01

This paper is about better engineering of cyber-physical systems (CPSs) through better models. Deterministic models have historically proven extremely useful and arguably form the kingpin of the industrial revolution and the digital and information technology revolutions. Key deterministic models that have proven successful include differential equations, synchronous digital logic and single-threaded imperative programs. Cyber-physical systems, however, combine these models in such a way that determinism is not preserved. Two projects show that deterministic CPS models with faithful physical realizations are possible and practical. The first project is PRET, which shows that the timing precision of synchronous digital logic can be practically made available at the software level of abstraction. The second project is Ptides (programming temporally-integrated distributed embedded systems), which shows that deterministic models for distributed cyber-physical systems have practical faithful realizations. These projects are existence proofs that deterministic CPS models are possible and practical. PMID:25730486

Assessment of soil calcium status in red spruce forests in the northeastern United States

USGS Publications Warehouse

Lawrence, G.B.; David, M.B.; Bailey, S.W.; Shortle, W.C.

1997-01-01

Long-term changes in concentrations of available Ca in soils of red spruce forests have been documented, but remaining questions about the magnitude and regional extent of these changes have precluded an assessment of the current and future status of soil Ca. To address this problem, soil samples were collected in 1992-93 from 12 sites in New York, Vermont, New Hampshire, and Maine to provide additional data necessary to synthesize all available research results on soil Ca in red spruce forests. Sites were chosen to encompass the range of environmental conditions experienced by red spruce. Concentrations of exchangeable Ca ranged from 2.13 to 21.6 cmol(c) kg-1 in the Oa horizon, and from 0.11 to 0.68 cmol(c) kg-1 in the upper 10 cm of the B horizon. These measurements expanded the range of exchangeable Ca reported in the literature for both horizons in northeastern red spruce forests. Exchangeable Ca was the largest Ca fraction in the forest floor at most sites (92% of acid-extractable Ca), but mineral Ca was the largest fraction at the three sites that also had the highest mineral-matter concentrations. The primary factor causing variability in Ca concentrations among sites was the mineralogy of parent material, but exchangeable concentrations in the B horizon of all sites were probably reduced by acidic deposition. Because the majority of Ca in the forest floor is in a readily leachable form, and Ca inputs to the forest floor from the mineral soil and atmospheric deposition have been decreasing in recent decades, the previously documented decreases in Ca concentrations in the forest floor over previous decades may extend into the future.

Membrane Contact Sites: Complex Zones for Membrane Association and Lipid Exchange

PubMed Central

Quon, Evan; Beh, Christopher T.

2015-01-01

Lipid transport between membranes within cells involves vesicle and protein carriers, but as agents of nonvesicular lipid transfer, the role of membrane contact sites has received increasing attention. As zones for lipid metabolism and exchange, various membrane contact sites mediate direct associations between different organelles. In particular, membrane contact sites linking the plasma membrane (PM) and the endoplasmic reticulum (ER) represent important regulators of lipid and ion transfer. In yeast, cortical ER is stapled to the PM through membrane-tethering proteins, which establish a direct connection between the membranes. In this review, we consider passive and facilitated models for lipid transfer at PM–ER contact sites. Besides the tethering proteins, we examine the roles of an additional repertoire of lipid and protein regulators that prime and propagate PM–ER membrane association. We conclude that instead of being simple mediators of membrane association, regulatory components of membrane contact sites have complex and multilayered functions. PMID:26949334

Atmospheric concentrations and air–soil gas exchange of polycyclic aromatic hydrocarbons (PAHs) in remote, rural village and urban areas of Beijing–Tianjin region, North China

PubMed Central

Wang, Wentao; Simonich, Staci; Giri, Basant; Chang, Ying; Zhang, Yuguang; Jia, Yuling; Tao, Shu; Wang, Rong; Wang, Bin; Li, Wei; Cao, Jun; Lu, Xiaoxia

2013-01-01

Forty passive air samplers were deployed to study the occurrence of gas and particulate phase PAHs in remote, rural village and urban areas of Beijing–Tianjin region, North China for four seasons (spring, summer, fall and winter) from 2007 to 2008. The influence of emissions on the spatial distribution pattern of air PAH concentrations was addressed. In addition, the air–soil gas exchange of PAHs was studied using fugacity calculations. The median gaseous and particulate phase PAH concentrations were 222 ng/m3 and 114 ng/m3, respectively, with a median total PAH concentration of 349 ng/m3. Higher PAH concentrations were measured in winter than in other seasons. Air PAH concentrations measured at the rural villages and urban sites in the northern mountain region were significantly lower than those measured at sites in the southern plain during all seasons. However, there was no significant difference in PAH concentrations between the rural villages and urban sites in the northern and southern areas. This urban–rural PAH distribution pattern was related to the location of PAH emission sources and the population distribution. The location of PAH emission sources explained 56%–77% of the spatial variation in ambient air PAH concentrations. The annual median air–soil gas exchange flux of PAHs was 42.2 ng/m2/day from soil to air. Among the 15 PAHs measured, acenaphthylene (ACY) and acenaphthene (ACE) contributed to more than half of the total exchange flux. Furthermore, the air–soil gas exchange fluxes of PAHs at the urban sites were higher than those at the remote and rural sites. In summer, more gaseous PAHs volatilized from soil to air because of higher temperatures and increased rainfall. However, in winter, more gaseous PAHs deposited from air to soil due to higher PAH emissions and lower temperatures. The soil TOC concentration had no significant influence on the air–soil gas exchange of PAHs. PMID:21669328

Atmospheric concentrations and air-soil gas exchange of polycyclic aromatic hydrocarbons (PAHs) in remote, rural village and urban areas of Beijing-Tianjin region, North China.

PubMed

Wang, Wentao; Simonich, Staci; Giri, Basant; Chang, Ying; Zhang, Yuguang; Jia, Yuling; Tao, Shu; Wang, Rong; Wang, Bin; Li, Wei; Cao, Jun; Lu, Xiaoxia

2011-07-01

Forty passive air samplers were deployed to study the occurrence of gas and particulate phase PAHs in remote, rural village and urban areas of Beijing-Tianjin region, North China for four seasons (spring, summer, fall and winter) from 2007 to 2008. The influence of emissions on the spatial distribution pattern of air PAH concentrations was addressed. In addition, the air-soil gas exchange of PAHs was studied using fugacity calculations. The median gaseous and particulate phase PAH concentrations were 222 ng/m³ and 114 ng/m³, respectively, with a median total PAH concentration of 349 ng/m³. Higher PAH concentrations were measured in winter than in other seasons. Air PAH concentrations measured at the rural villages and urban sites in the northern mountain region were significantly lower than those measured at sites in the southern plain during all seasons. However, there was no significant difference in PAH concentrations between the rural villages and urban sites in the northern and southern areas. This urban-rural PAH distribution pattern was related to the location of PAH emission sources and the population distribution. The location of PAH emission sources explained 56%-77% of the spatial variation in ambient air PAH concentrations. The annual median air-soil gas exchange flux of PAHs was 42.2 ng/m²/day from soil to air. Among the 15 PAHs measured, acenaphthylene (ACY) and acenaphthene (ACE) contributed to more than half of the total exchange flux. Furthermore, the air-soil gas exchange fluxes of PAHs at the urban sites were higher than those at the remote and rural sites. In summer, more gaseous PAHs volatilized from soil to air because of higher temperatures and increased rainfall. However, in winter, more gaseous PAHs deposited from air to soil due to higher PAH emissions and lower temperatures. The soil TOC concentration had no significant influence on the air-soil gas exchange of PAHs. Copyright © 2011 Elsevier B.V. All rights reserved.

Fixation of radioactive ions in porous media with ion exchange gels

DOEpatents

Mercer, Jr., Basil W.; Godfrey, Wesley L.

1979-01-01

A method is provided for fixing radioactive ions in porous media by injecting into the porous media water-soluble organic monomers which are polymerizable to gel structures with ion exchange sites and polymerizing the monomers to form ion exchange gels. The ions and the particles of the porous media are thereby physically fixed in place by the gel structure and, in addition, the ions are chemically fixed by the ion exchange properties of the resulting gel.

Hydrogen exchange equilibria in thiols.

PubMed

Hofstetter, Dustin; Thalmann, Basil; Nauser, Thomas; Koppenol, Willem H

2012-09-17

Cysteine, cysteinyl-glycine, glutathione, phenylalanyl-cysteinyl-glycine, and histidyl-cysteinyl-glycine were dissolved in acidic and neutral D(2)O in the presence of the radical generator 2,2'-azobis(2-methylpropionamidine) dihydrochloride and radical mediator compounds (benzyl alcohol and 2-propanol). An exchange of H-atoms by D-atoms took place in these peptides due to intramolecular H-abstraction equilibria. NMR measurements allow one to follow the extent of H-D exchanges and to identify the sites where these exchanges take place. Significant exchanges occur in acidic media in GSH at positions Glu-β and Glu-γ, in Phe-Cys-Gly at positions Phe ortho, Phe-β, Cys-α, Cys-β, and Gly-α, and in His-Cys-Gly at positions His H1, His H2, His β, Cys β, and Gly α. In neutral media, exchanges occur in Cys-Gly at position Cys β and in GSH at position Cys α. Phe-Cys-Gly and His-Cys-Gly were not examined in neutral media. Sites participating in the radical exchange equilibria are highly dependent on structure and pH; the availability of electron density in the form of lone pairs appears to increase the extent of exchange. Interestingly, and unexpectedly, 2D NMR experiments show that GSH rearranges itself in acidic solution: the signals shift, but their patterns do not change. The formation of a thiolactone from Gly and Cys residues matches the changes observed.

A universal mechanism for transport and regulation of CPA sodium proton exchangers.

PubMed

Călinescu, Octavian; Fendler, Klaus

2015-09-01

Recent studies performed on a series of Na+/H+ exchangers have led us to postulate a general mechanism for Na+/H+ exchange in the monovalent cation/proton antiporter superfamily. This simple mechanism employs a single binding site for which both substrates compete. The developed kinetic model is self-regulatory, ensuring down-regulation of transport activity at extreme pH, and elegantly explains the pH-dependent activity of Na+/H+ exchangers. The mechanism was experimentally verified and shown to describe both electrogenic and electroneutral exchangers. Using a small number of parameters, exchanger activity can be modeled under different conditions, providing insights into the physiological role of Na+/H+ exchangers.

High ionic strength narrows the population of sites participating in protein ion-exchange adsorption: A single-molecule study

PubMed Central

Kisley, Lydia; Chen, Jixin; Mansur, Andrea P.; Dominguez-Medina, Sergio; Kulla, Eliona; Kang, Marci; Shuang, Bo; Kourentzi, Katerina; Poongavanam, Mohan-Vivekanandan; Dhamane, Sagar; Willson, Richard C.; Landes, Christy F.

2014-01-01

The retention and elution of proteins in ion-exchange chromatography is routinely controlled by adjusting the mobile phase salt concentration. It has repeatedly been observed, as judged from adsorption isotherms, that the apparent heterogeneity of adsorption is lower at more-eluting, higher ionic strength. Here, we present an investigation into the mechanism of this phenomenon using a single-molecule, super-resolution imaging technique called motion-blur Points Accumulation for Imaging in Nanoscale Topography (mbPAINT). We observed that the number of functional adsorption sites was smaller at high ionic strength and that these sites had reduced desorption kinetic heterogeneity, and thus narrower predicted elution profiles, for the anion-exchange adsorption of α-lactalbumin on an agarose-supported, clustered-charge ligand stationary phase. Explanations for the narrowing of the functional population such as inter-protein interactions and protein or support structural changes were investigated through kinetic analysis, circular dichroism spectroscopy, and microscopy of agarose microbeads, respectively. The results suggest the reduction of heterogeneity is due to both electrostatic screening between the protein and ligand and tuning the steric availability within the agarose support. Overall, we have shown that single molecule spectroscopy can aid in understanding the influence of ionic strength on the population of functional adsorbent sites participating in the ion-exchange chromatographic separation of proteins. PMID:24751557

Stability analysis of multi-group deterministic and stochastic epidemic models with vaccination rate

NASA Astrophysics Data System (ADS)

Wang, Zhi-Gang; Gao, Rui-Mei; Fan, Xiao-Ming; Han, Qi-Xing

2014-09-01

We discuss in this paper a deterministic multi-group MSIR epidemic model with a vaccination rate, the basic reproduction number ℛ0, a key parameter in epidemiology, is a threshold which determines the persistence or extinction of the disease. By using Lyapunov function techniques, we show if ℛ0 is greater than 1 and the deterministic model obeys some conditions, then the disease will prevail, the infective persists and the endemic state is asymptotically stable in a feasible region. If ℛ0 is less than or equal to 1, then the infective disappear so the disease dies out. In addition, stochastic noises around the endemic equilibrium will be added to the deterministic MSIR model in order that the deterministic model is extended to a system of stochastic ordinary differential equations. In the stochastic version, we carry out a detailed analysis on the asymptotic behavior of the stochastic model. In addition, regarding the value of ℛ0, when the stochastic system obeys some conditions and ℛ0 is greater than 1, we deduce the stochastic system is stochastically asymptotically stable. Finally, the deterministic and stochastic model dynamics are illustrated through computer simulations.

Learning automata-based solutions to the nonlinear fractional knapsack problem with applications to optimal resource allocation.

PubMed

Granmo, Ole-Christoffer; Oommen, B John; Myrer, Svein Arild; Olsen, Morten Goodwin

2007-02-01

This paper considers the nonlinear fractional knapsack problem and demonstrates how its solution can be effectively applied to two resource allocation problems dealing with the World Wide Web. The novel solution involves a "team" of deterministic learning automata (LA). The first real-life problem relates to resource allocation in web monitoring so as to "optimize" information discovery when the polling capacity is constrained. The disadvantages of the currently reported solutions are explained in this paper. The second problem concerns allocating limited sampling resources in a "real-time" manner with the purpose of estimating multiple binomial proportions. This is the scenario encountered when the user has to evaluate multiple web sites by accessing a limited number of web pages, and the proportions of interest are the fraction of each web site that is successfully validated by an HTML validator. Using the general LA paradigm to tackle both of the real-life problems, the proposed scheme improves a current solution in an online manner through a series of informed guesses that move toward the optimal solution. At the heart of the scheme, a team of deterministic LA performs a controlled random walk on a discretized solution space. Comprehensive experimental results demonstrate that the discretization resolution determines the precision of the scheme, and that for a given precision, the current solution (to both problems) is consistently improved until a nearly optimal solution is found--even for switching environments. Thus, the scheme, while being novel to the entire field of LA, also efficiently handles a class of resource allocation problems previously not addressed in the literature.

Probing numerical Laplace inversion methods for two and three-site molecular exchange between interconnected pore structures.

PubMed

Silletta, Emilia V; Franzoni, María B; Monti, Gustavo A; Acosta, Rodolfo H

2018-01-01

Two-dimension (2D) Nuclear Magnetic Resonance relaxometry experiments are a powerful tool extensively used to probe the interaction among different pore structures, mostly in inorganic systems. The analysis of the collected experimental data generally consists of a 2D numerical inversion of time-domain data where T 2 -T 2 maps are generated. Through the years, different algorithms for the numerical inversion have been proposed. In this paper, two different algorithms for numerical inversion are tested and compared under different conditions of exchange dynamics; the method based on Butler-Reeds-Dawson (BRD) algorithm and the fast-iterative shrinkage-thresholding algorithm (FISTA) method. By constructing a theoretical model, the algorithms were tested for a two- and three-site porous media, varying the exchange rates parameters, the pore sizes and the signal to noise ratio. In order to test the methods under realistic experimental conditions, a challenging organic system was chosen. The molecular exchange rates of water confined in hierarchical porous polymeric networks were obtained, for a two- and three-site porous media. Data processed with the BRD method was found to be accurate only under certain conditions of the exchange parameters, while data processed with the FISTA method is precise for all the studied parameters, except when SNR conditions are extreme. Copyright © 2017 Elsevier Inc. All rights reserved.

Methanol exchange dynamics between a temperate cropland soil and the atmosphere

NASA Astrophysics Data System (ADS)

Bachy, A.; Aubinet, M.; Amelynck, C.; Schoon, N.; Bodson, B.; Moureaux, C.; Delaplace, P.; De Ligne, A.; Heinesch, B.

2018-03-01

Soil methanol (CH3OH) exchange is often considered as several orders of magnitude smaller than plant methanol exchange. However, for some ecosystems, it is significant in regard with plant exchange and worth thus better consideration. Our study sought to gain a better understanding of soil exchange. Methanol flux was measured at the ecosystem scale on a bare agricultural soil over two contrasted periods using the disjunct eddy covariance by mass scanning technique. A proton-transfer-reaction mass spectrometer was used for the methanol ambient mixing ratio measurements. Bi-directional exchange dynamics were observed. Methanol emission occurred under dry and warm conditions and correlated best with soil surface temperature, whereas methanol uptake occurred under wet and mild conditions and correlated well with the methanol ambient concentration. After having tested a physical adsorption-desorption model and by confronting our data with the literature, we propose that the exchange was ruled by both a physical adsorption/desorption mechanism and by a methanol source, which still needs to be identified. The soil emission decreased when the vegetation developed. The reasons for the decrease still need to be determined. Overall, the dynamics observed at our site were similar to those reported by other studies for both cropland and forest ecosystems. The mechanism proposed in our work can thus be possibly applied to other sites or ecosystems. In addition, the methanol exchange rate was in the upper range of the exchange rates reported by other soil studies, suggesting that cropland soils are more important methanol exchangers than those in other ecosystems and should therefore be further investigated.

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Environmental variation is directly responsible for short- but not long-term variation in forest-atmosphere carbon exchange

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Andrew D. Richardson; David Y. Hollinger; John D. Aber; Scott V. Ollinger; Bobby H. Braswell

2007-01-01

Tower-based eddy covariance measurements of forest-atmosphere carbon dioxide (CO2) exchange from many sites around the world indicate that there is considerable year-to-year variation in net ecosystem exchange (NEE). Here, we use a statistical modeling approach to partition the interannual variability in NEE (and its component fluxes, ecosystem...

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Chromatin Structure and Radiation-Induced Intrachromosome Exchange

NASA Technical Reports Server (NTRS)

Mangala; Zhang, Ye; Hada, Megumi; Cucinotta, Francis A.; Wu, Honglu

2011-01-01

We have recently investigated the location of breaks involved in intrachromosomal type exchange events, using the multicolor banding in situ hybridization (mBAND) technique for human chromosome 3. In human epithelial cells exposed to both low- and high-LET radiations in vitro, intrachromosome exchanges were found to occur preferentially between a break in the 3p21 and one in the 3q11. Exchanges were also observed between a break in 3p21 and one in 3q26, but few exchanges were observed between breaks in 3q11 and 3q26, even though the two regions were on the same arm of the chromosome. To explore the relationships between intrachromosome exchanges and chromatin structure, we used probes that hybridize the three regions of 3p21, 3q11 and 3q26, and measured the distance between two of the three regions in interphase cells. We further analyzed fragile sites on the chromosome that have been identified in various types of cancers. Our results demonstrated that the distribution of breaks involved in radiation-induced intrachromosome aberrations depends upon both the location of fragile sites and the folding of chromatins

Water Sorption and Vapor-Phase Deuterium Exchange Studies on Methemoglobin CC, SC, SS, AS, and AA

PubMed Central

Killion, Philip J.; Cameron, Bruce F.

1972-01-01

Five hemoglobins whose genetic relationship to one another involves one set of alleles, hemoglobins CC, SC, SS, AS, and AA, were studied in the Met form. Two different investigations were conducted at 28°C on these methemoglobins within a McBain gravimetric sorption system: sorption of H2O vapor and vapor-phase deuterium-hydrogen exchange. For each of the five samples there was close agreement between the per cent hydration of polar sites as determined from sorption studies and the maximum per cent of labile hydrogens that were exchanged during the vapor-phase deuterium exchange study. Both studies measured a slight increase in the number of polar sites accessible to H2O or D2O vapor for those samples in which the substituent in the sixth position from the N-terminus of the two β-chains had a positively charged side chain and a slight decrease for those in which the substituent had a negatively charged side chain. The in-exchange of deuterium for hydrogen occurred at a faster observed rate than the out-exchange of hydrogen for deuterium. PMID:5030563

A deterministic mathematical model for bidirectional excluded flow with Langmuir kinetics.

PubMed

Zarai, Yoram; Margaliot, Michael; Tuller, Tamir

2017-01-01

In many important cellular processes, including mRNA translation, gene transcription, phosphotransfer, and intracellular transport, biological "particles" move along some kind of "tracks". The motion of these particles can be modeled as a one-dimensional movement along an ordered sequence of sites. The biological particles (e.g., ribosomes or RNAPs) have volume and cannot surpass one another. In some cases, there is a preferred direction of movement along the track, but in general the movement may be bidirectional, and furthermore the particles may attach or detach from various regions along the tracks. We derive a new deterministic mathematical model for such transport phenomena that may be interpreted as a dynamic mean-field approximation of an important model from mechanical statistics called the asymmetric simple exclusion process (ASEP) with Langmuir kinetics. Using tools from the theory of monotone dynamical systems and contraction theory we show that the model admits a unique steady-state, and that every solution converges to this steady-state. Furthermore, we show that the model entrains (or phase locks) to periodic excitations in any of its forward, backward, attachment, or detachment rates. We demonstrate an application of this phenomenological transport model for analyzing ribosome drop off in mRNA translation.

Efficient Integrative Multi-SNP Association Analysis via Deterministic Approximation of Posteriors.

PubMed

Wen, Xiaoquan; Lee, Yeji; Luca, Francesca; Pique-Regi, Roger

2016-06-02

With the increasing availability of functional genomic data, incorporating genomic annotations into genetic association analysis has become a standard procedure. However, the existing methods often lack rigor and/or computational efficiency and consequently do not maximize the utility of functional annotations. In this paper, we propose a rigorous inference procedure to perform integrative association analysis incorporating genomic annotations for both traditional GWASs and emerging molecular QTL mapping studies. In particular, we propose an algorithm, named deterministic approximation of posteriors (DAP), which enables highly efficient and accurate joint enrichment analysis and identification of multiple causal variants. We use a series of simulation studies to highlight the power and computational efficiency of our proposed approach and further demonstrate it by analyzing the cross-population eQTL data from the GEUVADIS project and the multi-tissue eQTL data from the GTEx project. In particular, we find that genetic variants predicted to disrupt transcription factor binding sites are enriched in cis-eQTLs across all tissues. Moreover, the enrichment estimates obtained across the tissues are correlated with the cell types for which the annotations are derived. Copyright © 2016 American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Multidisciplinary insight into clonal expansion of HTLV-1-infected cells in adult T-cell leukemia via modeling by deterministic finite automata coupled with high-throughput sequencing.

PubMed

Farmanbar, Amir; Firouzi, Sanaz; Park, Sung-Joon; Nakai, Kenta; Uchimaru, Kaoru; Watanabe, Toshiki

2017-01-31

Clonal expansion of leukemic cells leads to onset of adult T-cell leukemia (ATL), an aggressive lymphoid malignancy with a very poor prognosis. Infection with human T-cell leukemia virus type-1 (HTLV-1) is the direct cause of ATL onset, and integration of HTLV-1 into the human genome is essential for clonal expansion of leukemic cells. Therefore, monitoring clonal expansion of HTLV-1-infected cells via isolation of integration sites assists in analyzing infected individuals from early infection to the final stage of ATL development. However, because of the complex nature of clonal expansion, the underlying mechanisms have yet to be clarified. Combining computational/mathematical modeling with experimental and clinical data of integration site-based clonality analysis derived from next generation sequencing technologies provides an appropriate strategy to achieve a better understanding of ATL development. As a comprehensively interdisciplinary project, this study combined three main aspects: wet laboratory experiments, in silico analysis and empirical modeling. We analyzed clinical samples from HTLV-1-infected individuals with a broad range of proviral loads using a high-throughput methodology that enables isolation of HTLV-1 integration sites and accurate measurement of the size of infected clones. We categorized clones into four size groups, "very small", "small", "big", and "very big", based on the patterns of clonal growth and observed clone sizes. We propose an empirical formal model based on deterministic finite state automata (DFA) analysis of real clinical samples to illustrate patterns of clonal expansion. Through the developed model, we have translated biological data of clonal expansion into the formal language of mathematics and represented the observed clonality data with DFA. Our data suggest that combining experimental data (absolute size of clones) with DFA can describe the clonality status of patients. This kind of modeling provides a basic understanding as well as a unique perspective for clarifying the mechanisms of clonal expansion in ATL.

A method for deterministic statistical downscaling of daily precipitation at a monsoonal site in Eastern China

NASA Astrophysics Data System (ADS)

Liu, Yonghe; Feng, Jinming; Liu, Xiu; Zhao, Yadi

2017-12-01

Statistical downscaling (SD) is a method that acquires the local information required for hydrological impact assessment from large-scale atmospheric variables. Very few statistical and deterministic downscaling models for daily precipitation have been conducted for local sites influenced by the East Asian monsoon. In this study, SD models were constructed by selecting the best predictors and using generalized linear models (GLMs) for Feixian, a site in the Yishu River Basin and Shandong Province. By calculating and mapping Spearman rank correlation coefficients between the gridded standardized values of five large-scale variables and daily observed precipitation, different cyclonic circulation patterns were found for monsoonal precipitation in summer (June-September) and winter (November-December and January-March); the values of the gridded boxes with the highest absolute correlations for observed precipitation were selected as predictors. Data for predictors and predictands covered the period 1979-2015, and different calibration and validation periods were divided when fitting and validating the models. Meanwhile, the bootstrap method was also used to fit the GLM. All the above thorough validations indicated that the models were robust and not sensitive to different samples or different periods. Pearson's correlations between downscaled and observed precipitation (logarithmically transformed) on a daily scale reached 0.54-0.57 in summer and 0.56-0.61 in winter, and the Nash-Sutcliffe efficiency between downscaled and observed precipitation reached 0.1 in summer and 0.41 in winter. The downscaled precipitation partially reflected exact variations in winter and main trends in summer for total interannual precipitation. For the number of wet days, both winter and summer models were able to reflect interannual variations. Other comparisons were also made in this study. These results demonstrated that when downscaling, it is appropriate to combine a correlation-based predictor selection across a spatial domain with GLM modeling.

Reliability analysis of hydrologic containment of liquefied petroleum gas within unlined rock caverns.

NASA Astrophysics Data System (ADS)

Gao, X.; Yan, E. C.; Yeh, T. C. J.; Wang, Y.; Liang, Y.; Hao, Y.

2017-12-01

Notice that most of the underground liquefied petroleum gas (LPG) storage caverns are constructed in unlined rock caverns (URCs), where the variability of hydraulic properties (in particular, hydraulic conductivity) has significant impacts on hydrologic containment performance. However, it is practically impossible to characterize the spatial distribution of these properties in detail at the site of URCs. This dilemma forces us to cope with uncertainty in our evaluations of gas containment. As a consequence, the uncertainty-based analysis is deemed more appropriate than the traditional deterministic analysis. The objectives of this paper are 1) to introduce a numerical first order method to calculate the gas containment reliability within a heterogeneous, two-dimensional unlined rock caverns, and 2) to suggest a strategy for improving the gas containment reliability. In order to achieve these goals, we first introduced the stochastic continuum representation of saturated hydraulic conductivity (Ks) of fractured rock and analyzed the spatial variability of Ks at a field site. We then conducted deterministic simulations to demonstrate the importance of heterogeneity of Ks in the analysis of gas tightness performance of URCs. Considering the uncertainty of the heterogeneity in the real world situations, we subsequently developed a numerical first order method (NFOM) to determine the gas tightness reliability at crucial locations of URCs. Using the NFOM, the effect of spatial variability of Ks on gas tightness reliability was investigated. Results show that as variance or spatial structure anisotropy of Ks increases, most of the gas tightness reliability at crucial locations reduces. Meanwhile, we compare the results of NFOM with those of Monte Carlo simulation, and we find the accuracy of NFOM is mainly affected by the magnitude of the variance of Ks. At last, for improving gas containment reliability at crucial locations at this study site, we suggest that vertical water-curtain holes should be installed in the pillar rather than increasing density of horizontal water-curtain boreholes.

A gratuitous β-Lactamase inducer uncovers hidden active site dynamics of the Staphylococcus aureus BlaR1 sensor domain.

PubMed

Frederick, Thomas E; Peng, Jeffrey W

2018-01-01

Increasing evidence shows that active sites of proteins have non-trivial conformational dynamics. These dynamics include active site residues sampling different local conformations that allow for multiple, and possibly novel, inhibitor binding poses. Yet, active site dynamics garner only marginal attention in most inhibitor design efforts and exert little influence on synthesis strategies. This is partly because synthesis requires a level of atomic structural detail that is frequently missing in current characterizations of conformational dynamics. In particular, while the identity of the mobile protein residues may be clear, the specific conformations they sample remain obscure. Here, we show how an appropriate choice of ligand can significantly sharpen our abilities to describe the interconverting binding poses (conformations) of protein active sites. Specifically, we show how 2-(2'-carboxyphenyl)-benzoyl-6-aminopenicillanic acid (CBAP) exposes otherwise hidden dynamics of a protein active site that binds β-lactam antibiotics. When CBAP acylates (binds) the active site serine of the β-lactam sensor domain of BlaR1 (BlaRS), it shifts the time scale of the active site dynamics to the slow exchange regime. Slow exchange enables direct characterization of inter-converting protein and bound ligand conformations using NMR methods. These methods include chemical shift analysis, 2-d exchange spectroscopy, off-resonance ROESY of the bound ligand, and reduced spectral density mapping. The active site architecture of BlaRS is shared by many β-lactamases of therapeutic interest, suggesting CBAP could expose functional motions in other β-lactam binding proteins. More broadly, CBAP highlights the utility of identifying chemical probes common to structurally homologous proteins to better expose functional motions of active sites.

Preserving the Boltzmann ensemble in replica-exchange molecular dynamics.

PubMed

Cooke, Ben; Schmidler, Scott C

2008-10-28

We consider the convergence behavior of replica-exchange molecular dynamics (REMD) [Sugita and Okamoto, Chem. Phys. Lett. 314, 141 (1999)] based on properties of the numerical integrators in the underlying isothermal molecular dynamics (MD) simulations. We show that a variety of deterministic algorithms favored by molecular dynamics practitioners for constant-temperature simulation of biomolecules fail either to be measure invariant or irreducible, and are therefore not ergodic. We then show that REMD using these algorithms also fails to be ergodic. As a result, the entire configuration space may not be explored even in an infinitely long simulation, and the simulation may not converge to the desired equilibrium Boltzmann ensemble. Moreover, our analysis shows that for initial configurations with unfavorable energy, it may be impossible for the system to reach a region surrounding the minimum energy configuration. We demonstrate these failures of REMD algorithms for three small systems: a Gaussian distribution (simple harmonic oscillator dynamics), a bimodal mixture of Gaussians distribution, and the alanine dipeptide. Examination of the resulting phase plots and equilibrium configuration densities indicates significant errors in the ensemble generated by REMD simulation. We describe a simple modification to address these failures based on a stochastic hybrid Monte Carlo correction, and prove that this is ergodic.

Orbit-spin coupling and the circulation of the Martian atmosphere

NASA Astrophysics Data System (ADS)

Shirley, James H.

2017-07-01

The physical origins of the observed interannual variability of weather and climate on Mars are poorly understood. In this paper we introduce a deterministic physical mechanism that may account for much of the variability of the circulation of the Mars atmosphere on seasonal and longer timescales. We focus on a possible coupling between the planetary orbital angular momentum and the angular momentum of the planetary rotation. We suspect that the planetary atmosphere may participate in an exchange of momentum between these two reservoirs. Nontrivial changes in the circulation of the atmosphere are likely to occur, as the atmospheric system gains and loses angular momentum, during this exchange. We derive a coupling expression linking orbital and rotational motions that produces an acceleration field varying with position and with time on and within a subject body. The spatially and temporally varying accelerations may interfere constructively or destructively with large-scale flows of geophysical fluids that are established and maintained by other means. This physical hypothesis predicts cycles of intensification and relaxation of circulatory flows of atmospheres on seasonal and longer timescales that are largely independent of solar forcing. The predictions of this hypothesis may be tested through numerical modeling. Examples from investigations of the atmospheric circulation of Mars are provided to illustrate qualitative features and quantitative aspects of the coupling mechanism proposed.

Programmatic Re-Evaluation of Ion Exchange as a 1st Generation ITP Replacement

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

Scott, A.B.

This re-evaluation differs from previous work in that (1) the Ion Exchange option was evaluated from a standpoint assuming that ITP would never start up, thus Ion Exchange was the only viable option, (2) the DOE prescribed balanced assumptions were quite different than the WSRC Assumptions used previously, and (3) other Site events and changes within HLWM have tended to reduce the disadvantages of Ion Exchange relative to ITP as the first generation salt decontamination process.

Interstitial telomeric sequences in human chromosomes cluster with common fragile sites, mutagen sensitive sites, viral integration sites, cancer breakpoints, proto-oncogenes and breakpoints involved in primate evolution

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

Adekunle, S.S.A.; Wyandt, H.; Mark, H.F.L.

1994-09-01

Recently we mapped the telomeric repeat sequences to 111 interstitial sites in the human genome and to sites of gaps and breaks induced by aphidicolin and sister chromatid exchange sites detected by BrdU. Many of these sites correspond to conserved fragile sites in man, gorilla and chimpazee, to sites of conserved sister chromatid exchange in the mammalian X chromosome, to mutagenic sensitive sites, mapped locations of proto-oncogenes, breakpoints implicated in primate evolution and to breakpoints indicated as the sole anomaly in neoplasia. This observation prompted us to investigate if the interstitial telomeric sites cluster with these sites. An extensive literaturemore » search was carried out to find all the available published sites mentioned above. For comparison, we also carried out a statistical analysis of the clustering of the sites of the telomeric repeats with the gene locations where only nucleotide mutations have been observed as the only chromosomal abnormality. Our results indicate that the telomeric repeats cluster most with fragile sites, mutagenic sensitive sites and breakpoints implicated in primate evolution and least with cancer breakpoints, mapped locations of proto-oncogenes and other genes with nucleotide mutations.« less

10th Annual Systems Engineering Conference - Focusing on Improving Performance of Defense Systems Programs. Volume 1. Tuesday Presentations

DTIC Science & Technology

2007-10-25

Exchange Platforms Publishers Resellers iTunes Non-Profit/ Government/ Self- Managed Library of Congress Library Consortia Fed. Tech Transfer Sites Univ...Thompson Dialog – Thomson MicroPatent – Thomson Pharma – WIPO Digital Patent Library* (*nonprofit organization) • iTunes • IP Exchange Platforms...Elsevier SciDirect – Nat’l Acad. Press – Lexis, Westlaw – Newspaper web sites • iTunes • Resellers of Copyrighted Material – JSTOR – EBSCOHost

An Exactly Soluble Model for Hopping Particles Moving with Correlations Between States due to Exchange Sites

NASA Astrophysics Data System (ADS)

Zhao, Xian-Geng; Jia, Sue-Tang

1992-09-01

The motion of hopping particles on an infinite chain is investigated. The model is characterized by the correlations between states due to exchange sites. The analytic solutions for this system are discussed in general case. For some special cases, exact results are obtained with the help of explicit calculations of propagators and mean square displacement deviation. Both probability propagators for the creation and annihilation of two particles or for the deformation and formation of Frenkel excitons are indicated.

Monocopper active site for partial methane oxidation in Cu-exchanged 8MR zeolites

DOE PAGES

Kulkarni, Ambarish R.; Zhao, Zhi -Jian; Siahrostami, Samira; ...

2016-08-17

Direct conversion of methane to methanol using oxygen is experiencing renewed interest owing to the availability of new natural gas resources. Copper-exchanged zeolites such as mordenite and ZSM-5 have shown encouraging results, and di- and tri-copper species have been suggested as active sites. Recently, small eight-membered ring (8MR) zeolites including SSZ-13, -16, and -39 have been shown to be active for methane oxidation, but the active sites and reaction mechanisms in these 8MR zeolites are not known. In this work, we use density functional theory (DFT) calculations to systematically evaluate monocopper species as active sites for the partial methane oxidationmore » reaction in Cu-exchanged SSZ-13. On the basis of kinetic and thermodynamic arguments, we suggest that [Cu IIOH] + species in the 8MR are responsible for the experimentally observed activity. Furthermore, our results successfully explain the available spectroscopic data and experimental observations including (i) the necessity of water for methanol extraction and (ii) the effect of Si/Al ratio on the catalyst activity. Monocopper species have not yet been suggested as an active site for the partial methane oxidation reaction, and our results suggest that [Cu IIOH] + active site may provide complementary routes for methane activation in zeolites in addition to the known [Cu–O–Cu] 2+ and Cu 3O 3 motifs.« less

Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes.

PubMed

Chatterjee, Abhijit; Vlachos, Dionisios G

2007-07-21

While recently derived continuum mesoscopic equations successfully bridge the gap between microscopic and macroscopic physics, so far they have been derived only for simple lattice models. In this paper, general deterministic continuum mesoscopic equations are derived rigorously via nonequilibrium statistical mechanics to account for multiple interacting surface species and multiple processes on multiple site types and/or different crystallographic planes. Adsorption, desorption, reaction, and surface diffusion are modeled. It is demonstrated that contrary to conventional phenomenological continuum models, microscopic physics, such as the interaction potential, determines the final form of the mesoscopic equation. Models of single component diffusion and binary diffusion of interacting particles on single-type site lattice and of single component diffusion on complex microporous materials' lattices consisting of two types of sites are derived, as illustrations of the mesoscopic framework. Simplification of the diffusion mesoscopic model illustrates the relation to phenomenological models, such as the Fickian and Maxwell-Stefan transport models. It is demonstrated that the mesoscopic equations are in good agreement with lattice kinetic Monte Carlo simulations for several prototype examples studied.

Nonadiabatic exchange dynamics during adiabatic frequency sweeps.

PubMed

Barbara, Thomas M

2016-04-01

A Bloch equation analysis that includes relaxation and exchange effects during an adiabatic frequency swept pulse is presented. For a large class of sweeps, relaxation can be incorporated using simple first order perturbation theory. For anisochronous exchange, new expressions are derived for exchange augmented rotating frame relaxation. For isochronous exchange between sites with distinct relaxation rate constants outside the extreme narrowing limit, simple criteria for adiabatic exchange are derived and demonstrate that frequency sweeps commonly in use may not be adiabatic with regard to exchange unless the exchange rates are much larger than the relaxation rates. Otherwise, accurate assessment of the sensitivity to exchange dynamics will require numerical integration of the rate equations. Examples of this situation are given for experimentally relevant parameters believed to hold for in-vivo tissue. These results are of significance in the study of exchange induced contrast in magnetic resonance imaging. Copyright © 2016 Elsevier Inc. All rights reserved.

Deterministic and stochastic CTMC models from Zika disease transmission

NASA Astrophysics Data System (ADS)

Zevika, Mona; Soewono, Edy

2018-03-01

Zika infection is one of the most important mosquito-borne diseases in the world. Zika virus (ZIKV) is transmitted by many Aedes-type mosquitoes including Aedes aegypti. Pregnant women with the Zika virus are at risk of having a fetus or infant with a congenital defect and suffering from microcephaly. Here, we formulate a Zika disease transmission model using two approaches, a deterministic model and a continuous-time Markov chain stochastic model. The basic reproduction ratio is constructed from a deterministic model. Meanwhile, the CTMC stochastic model yields an estimate of the probability of extinction and outbreaks of Zika disease. Dynamical simulations and analysis of the disease transmission are shown for the deterministic and stochastic models.

Distinguishing between stochasticity and determinism: Examples from cell cycle duration variability.

PubMed

Pearl Mizrahi, Sivan; Sandler, Oded; Lande-Diner, Laura; Balaban, Nathalie Q; Simon, Itamar

2016-01-01

We describe a recent approach for distinguishing between stochastic and deterministic sources of variability, focusing on the mammalian cell cycle. Variability between cells is often attributed to stochastic noise, although it may be generated by deterministic components. Interestingly, lineage information can be used to distinguish between variability and determinism. Analysis of correlations within a lineage of the mammalian cell cycle duration revealed its deterministic nature. Here, we discuss the sources of such variability and the possibility that the underlying deterministic process is due to the circadian clock. Finally, we discuss the "kicked cell cycle" model and its implication on the study of the cell cycle in healthy and cancerous tissues. © 2015 WILEY Periodicals, Inc.

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Disentangling Mechanisms That Mediate the Balance Between Stochastic and Deterministic Processes in Microbial Succession

DOE PAGES

Dini-Andreote, Francisco; Stegen, James C.; van Elsas, Jan D.; ...

2015-03-17

Despite growing recognition that deterministic and stochastic factors simultaneously influence bacterial communities, little is known about mechanisms shifting their relative importance. To better understand underlying mechanisms, we developed a conceptual model linking ecosystem development during primary succession to shifts in the stochastic/deterministic balance. To evaluate the conceptual model we coupled spatiotemporal data on soil bacterial communities with environmental conditions spanning 105 years of salt marsh development. At the local scale there was a progression from stochasticity to determinism due to Na accumulation with increasing ecosystem age, supporting a main element of the conceptual model. At the regional-scale, soil organic mattermore » (SOM) governed the relative influence of stochasticity and the type of deterministic ecological selection, suggesting scale-dependency in how deterministic ecological selection is imposed. Analysis of a new ecological simulation model supported these conceptual inferences. Looking forward, we propose an extended conceptual model that integrates primary and secondary succession in microbial systems.« less

An efficient deterministic-probabilistic approach to modeling regional groundwater flow: 2. Application to Owens Valley, California

USGS Publications Warehouse

Guymon, Gary L.; Yen, Chung-Cheng

1990-01-01

The applicability of a deterministic-probabilistic model for predicting water tables in southern Owens Valley, California, is evaluated. The model is based on a two-layer deterministic model that is cascaded with a two-point probability model. To reduce the potentially large number of uncertain variables in the deterministic model, lumping of uncertain variables was evaluated by sensitivity analysis to reduce the total number of uncertain variables to three variables: hydraulic conductivity, storage coefficient or specific yield, and source-sink function. Results demonstrate that lumping of uncertain parameters reduces computational effort while providing sufficient precision for the case studied. Simulated spatial coefficients of variation for water table temporal position in most of the basin is small, which suggests that deterministic models can predict water tables in these areas with good precision. However, in several important areas where pumping occurs or the geology is complex, the simulated spatial coefficients of variation are over estimated by the two-point probability method.

An efficient deterministic-probabilistic approach to modeling regional groundwater flow: 2. Application to Owens Valley, California

NASA Astrophysics Data System (ADS)

Guymon, Gary L.; Yen, Chung-Cheng

1990-07-01

The applicability of a deterministic-probabilistic model for predicting water tables in southern Owens Valley, California, is evaluated. The model is based on a two-layer deterministic model that is cascaded with a two-point probability model. To reduce the potentially large number of uncertain variables in the deterministic model, lumping of uncertain variables was evaluated by sensitivity analysis to reduce the total number of uncertain variables to three variables: hydraulic conductivity, storage coefficient or specific yield, and source-sink function. Results demonstrate that lumping of uncertain parameters reduces computational effort while providing sufficient precision for the case studied. Simulated spatial coefficients of variation for water table temporal position in most of the basin is small, which suggests that deterministic models can predict water tables in these areas with good precision. However, in several important areas where pumping occurs or the geology is complex, the simulated spatial coefficients of variation are over estimated by the two-point probability method.

Statistics of Delta v magnitude for a trajectory correction maneuver containing deterministic and random components

NASA Technical Reports Server (NTRS)

Bollman, W. E.; Chadwick, C.

1982-01-01

A number of interplanetary missions now being planned involve placing deterministic maneuvers along the flight path to alter the trajectory. Lee and Boain (1973) examined the statistics of trajectory correction maneuver (TCM) magnitude with no deterministic ('bias') component. The Delta v vector magnitude statistics were generated for several values of random Delta v standard deviations using expansions in terms of infinite hypergeometric series. The present investigation uses a different technique (Monte Carlo simulation) to generate Delta v magnitude statistics for a wider selection of random Delta v standard deviations and also extends the analysis to the case of nonzero deterministic Delta v's. These Delta v magnitude statistics are plotted parametrically. The plots are useful in assisting the analyst in quickly answering questions about the statistics of Delta v magnitude for single TCM's consisting of both a deterministic and a random component. The plots provide quick insight into the nature of the Delta v magnitude distribution for the TCM.

Ue Project "cheap GSHPs": the Geoexchange Fieldlab

NASA Astrophysics Data System (ADS)

Galgaro, Antonio; Cultrera, Matteo; Dalla Santa, Giorgia; Bertermann, David; Muller, Johannes; De Carli, Michele; Emmi, Giuseppe; Zarrella, Angelo; Bernardi, Adriana; Di Tuccio, Maria; Vivarelli, Arianna; Pockelé, Luc; Mezzasalma, Giulia; Psyk, Mario; Righini, Davide; Bernini, Michele

2017-04-01

The CHEAP - GSHPs Horizon 2020 project (No. 657982) focuses on the development of more efficient and safe shallow geothermal systems and the reduction of time consuming and installation costs. One of its most important objectives is the development of the design of new coaxial steel GSHEs and of newly designed helical heat basket type GSHE by means of innovative installation methodologies and drilling machines. For this purpose, in Molinella test site (Bologna, Italy) several types of borehole heat exchangers have been built. The Molinella test site is the open-air laboratory where several types of ground heat exchangers, such as helical heat basket and double-U and coaxial probes, can be directly compared by means of GRT tests, cores thermal measurement, and optical fibers measurements. Moreover, in this test site, new drilling machines and techniques are being tested. Given a geological setting and thermal load, the heat exchange capacity of a ground heat exchanger depends on the used materials and probe dimensions (length, diameter and thickness). In Molinella, in an area of 300m2, 7 different probes are installed: 4 coaxial probes of different materials and different length (96 and 50m) and diameters of internal and external tubes, 2 heat baskets (15m length, different diameter and different pitch) and a traditional double-U (50 m length). The monitoring equipment is constituted by a piezometer 25m long, a monitoring point instrumented with a hybrid fibre optical cable 100m long, and a standard GRT device. The local stratigraphy is known from a 100m core sample, made on purpose. The lithological sequence is typical of a quaternary floodplain deposition environment, rich in silt and silty clay deposits, alternated with sandy layers. For all the main recognized layers, the thermal properties (conductivity and capacity) have been directly measured on the collected core samples on site in order to maintain their natural water content. The thermal exchange capacities of the tested GSHEs are directly detected both by comparing the GRT test results and by means of numerical analysis based on different modelling approaches. The Molinella test site is particularly remarkable for the possibility to directly compare the energetic efficiency of the tested GSHEs. The GRT results can be compared with the mathematical models outputs and with the thermal measurements directly performed on the sediments core samples. The coupling of traditional GRT and optical fibre temperature recording system allows sharing the data in order to obtain the thermal contribution of the different underground layers interested by the heat exchange processes. The Molinella test site therefore represents a very extraordinary possibility to improve the knowledge of thermal exchange processes in shallow geothermal systems.

Intensive measurements of gas, water, and energy exchange between vegetation and troposphere during the MONTES campaign in a vegetation gradient from short semi-desertic shrublands to tall wet temperate forests in the NW Mediterranean Basin

NASA Astrophysics Data System (ADS)

Peñuelas, J.; Guenther, A.; Rapparini, F.; Llusia, J.; Filella, I.; Seco, R.; Estiarte, M.; Mejia-Chang, M.; Ogaya, R.; Ibañez, J.; Sardans, J.; Castaño, L. M.; Turnipseed, A.; Duhl, T.; Harley, P.; Vila, J.; Estavillo, J. M.; Menéndez, S.; Facini, O.; Baraldi, R.; Geron, C.; Mak, J.; Patton, E. G.; Jiang, X.; Greenberg, J.

2013-08-01

MONTES (“Woodlands”) was a multidisciplinary international field campaign aimed at measuring energy, water and especially gas exchange between vegetation and atmosphere in a gradient from short semi-desertic shrublands to tall wet temperate forests in NE Spain in the North Western Mediterranean Basin (WMB). The measurements were performed at a semidesertic area (Monegros), at a coastal Mediterranean shrubland area (Garraf), at a typical Mediterranean holm oak forest area (Prades) and at a wet temperate beech forest (Montseny) during spring (April 2010) under optimal plant physiological conditions in driest-warmest sites and during summer (July 2010) with drought and heat stresses in the driest-warmest sites and optimal conditions in the wettest-coolest site. The objective of this campaign was to study the differences in gas, water and energy exchange occurring at different vegetation coverages and biomasses. Particular attention was devoted to quantitatively understand the exchange of biogenic volatile organic compounds (BVOCs) because of their biological and environmental effects in the WMB. A wide range of instruments (GC-MS, PTR-MS, meteorological sensors, O3 monitors,…) and vertical platforms such as masts, tethered balloons and aircraft were used to characterize the gas, water and energy exchange at increasing footprint areas by measuring vertical profiles. In this paper we provide an overview of the MONTES campaign: the objectives, the characterization of the biomass and gas, water and energy exchange in the 4 sites-areas using satellite data, the estimation of isoprene and monoterpene emissions using MEGAN model, the measurements performed and the first results. The isoprene and monoterpene emission rates estimated with MEGAN and emission factors measured at the foliar level for the dominant species ranged from about 0 to 0.2 mg m-2 h-1 in April. The warmer temperature in July resulted in higher model estimates from about 0 to ca. 1.6 mg m-2 h-1 for isoprene and ca. 4.5 mg m-2 h-1 for monoterpenes, depending on the site vegetation and footprint area considered. There were clear daily and seasonal patterns with higher emission rates and mixing ratios at midday and summer relative to early morning and early spring. There was a significant trend in CO2 fixation (from 1 to 10 mg C m-2 d-1), transpiration (from 1-5 kg C m-2 d-1), and sensible and latent heat from the warmest-driest to the coolest-wettest site. The results showed the strong land-cover-specific influence on emissions of BVOCs, gas, energy and water exchange, and therefore demonstrate the potential for feed-back to atmospheric chemistry and climate.

Definitions of components of the master water data index maintained by the National Water Data Exchange

USGS Publications Warehouse

Perry, R.A.; Williams, O.O.

1982-01-01

The Master Water Data Index is a computerized data base developed and maintained by the National Water Data Exchange (NAWDEX). The Index contains information about water-data collection sites. This information includes: the identification of new sites for which water data are available, the locations of these sites, the type of site, the data-collection organization, the types of data available, the major water-data parameters for which data are available, the frequency at which these parameters are measured, the period of time for which data are available, and the medial in which the data are stored. This document, commonly referred to as the MWDI data dictionary, contains a definition and description of each component of the Master Water Data Index data base. (USGS)

Simultaneous estimation of deterministic and fractal stochastic components in non-stationary time series

NASA Astrophysics Data System (ADS)

García, Constantino A.; Otero, Abraham; Félix, Paulo; Presedo, Jesús; Márquez, David G.

2018-07-01

In the past few decades, it has been recognized that 1 / f fluctuations are ubiquitous in nature. The most widely used mathematical models to capture the long-term memory properties of 1 / f fluctuations have been stochastic fractal models. However, physical systems do not usually consist of just stochastic fractal dynamics, but they often also show some degree of deterministic behavior. The present paper proposes a model based on fractal stochastic and deterministic components that can provide a valuable basis for the study of complex systems with long-term correlations. The fractal stochastic component is assumed to be a fractional Brownian motion process and the deterministic component is assumed to be a band-limited signal. We also provide a method that, under the assumptions of this model, is able to characterize the fractal stochastic component and to provide an estimate of the deterministic components present in a given time series. The method is based on a Bayesian wavelet shrinkage procedure that exploits the self-similar properties of the fractal processes in the wavelet domain. This method has been validated over simulated signals and over real signals with economical and biological origin. Real examples illustrate how our model may be useful for exploring the deterministic-stochastic duality of complex systems, and uncovering interesting patterns present in time series.

Inferring Fitness Effects from Time-Resolved Sequence Data with a Delay-Deterministic Model

PubMed Central

Nené, Nuno R.; Dunham, Alistair S.; Illingworth, Christopher J. R.

2018-01-01

A common challenge arising from the observation of an evolutionary system over time is to infer the magnitude of selection acting upon a specific genetic variant, or variants, within the population. The inference of selection may be confounded by the effects of genetic drift in a system, leading to the development of inference procedures to account for these effects. However, recent work has suggested that deterministic models of evolution may be effective in capturing the effects of selection even under complex models of demography, suggesting the more general application of deterministic approaches to inference. Responding to this literature, we here note a case in which a deterministic model of evolution may give highly misleading inferences, resulting from the nondeterministic properties of mutation in a finite population. We propose an alternative approach that acts to correct for this error, and which we denote the delay-deterministic model. Applying our model to a simple evolutionary system, we demonstrate its performance in quantifying the extent of selection acting within that system. We further consider the application of our model to sequence data from an evolutionary experiment. We outline scenarios in which our model may produce improved results for the inference of selection, noting that such situations can be easily identified via the use of a regular deterministic model. PMID:29500183

Dissipative open systems theory as a foundation for the thermodynamics of linear systems.

PubMed

Delvenne, Jean-Charles; Sandberg, Henrik

2017-03-06

In this paper, we advocate the use of open dynamical systems, i.e. systems sharing input and output variables with their environment, and the dissipativity theory initiated by Jan Willems as models of thermodynamical systems, at the microscopic and macroscopic level alike. We take linear systems as a study case, where we show how to derive a global Lyapunov function to analyse networks of interconnected systems. We define a suitable notion of dynamic non-equilibrium temperature that allows us to derive a discrete Fourier law ruling the exchange of heat between lumped, discrete-space systems, enriched with the Maxwell-Cattaneo correction. We complete these results by a brief recall of the steps that allow complete derivation of the dissipation and fluctuation in macroscopic systems (i.e. at the level of probability distributions) from lossless and deterministic systems.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

A Novel Scheme for Bidirectional and Hybrid Quantum Information Transmission via a Seven-Qubit State

NASA Astrophysics Data System (ADS)

Fang, Sheng-hui; Jiang, Min

2018-02-01

In this paper, we present a novel scheme for bidirectional and hybrid quantum information transmission via a seven-qubit state. We demonstrate that under the control of the supervisor two distant participants can simultaneously and deterministically exchange their states with each other no matter whether they know the states or not. In our scheme, Alice can teleport an arbitrary single-qubit state (two-qubit state) to Bob and Bob can prepare a known two-qubit state (single-qubit state) for Alice simultaneously via the control of the supervisor Charlie. Compared with previous studies for single bidirectional quantum teleportation or single bidirectional remote state preparation schemes, our protocol is a kind of hybrid approach for quantum information transmission. Furthermore, it achieves success with unit probability. Notably, since only pauli operations and two-qubit and single-qubit measurements are used in our schemes, it is flexible in physical experiments.

Strain-engineered inverse charge-funnelling in layered semiconductors.

PubMed

De Sanctis, Adolfo; Amit, Iddo; Hepplestone, Steven P; Craciun, Monica F; Russo, Saverio

2018-04-25

The control of charges in a circuit due to an external electric field is ubiquitous to the exchange, storage and manipulation of information in a wide range of applications. Conversely, the ability to grow clean interfaces between materials has been a stepping stone for engineering built-in electric fields largely exploited in modern photovoltaics and opto-electronics. The emergence of atomically thin semiconductors is now enabling new ways to attain electric fields and unveil novel charge transport mechanisms. Here, we report the first direct electrical observation of the inverse charge-funnel effect enabled by deterministic and spatially resolved strain-induced electric fields in a thin sheet of HfS 2 . We demonstrate that charges driven by these spatially varying electric fields in the channel of a phototransistor lead to a 350% enhancement in the responsivity. These findings could enable the informed design of highly efficient photovoltaic cells.

Stochastic Simulation Service: Bridging the Gap between the Computational Expert and the Biologist

PubMed Central

Banerjee, Debjani; Bellesia, Giovanni; Daigle, Bernie J.; Douglas, Geoffrey; Gu, Mengyuan; Gupta, Anand; Hellander, Stefan; Horuk, Chris; Nath, Dibyendu; Takkar, Aviral; Lötstedt, Per; Petzold, Linda R.

2016-01-01

We present StochSS: Stochastic Simulation as a Service, an integrated development environment for modeling and simulation of both deterministic and discrete stochastic biochemical systems in up to three dimensions. An easy to use graphical user interface enables researchers to quickly develop and simulate a biological model on a desktop or laptop, which can then be expanded to incorporate increasing levels of complexity. StochSS features state-of-the-art simulation engines. As the demand for computational power increases, StochSS can seamlessly scale computing resources in the cloud. In addition, StochSS can be deployed as a multi-user software environment where collaborators share computational resources and exchange models via a public model repository. We demonstrate the capabilities and ease of use of StochSS with an example of model development and simulation at increasing levels of complexity. PMID:27930676

Stochastic Simulation Service: Bridging the Gap between the Computational Expert and the Biologist

DOE PAGES

Drawert, Brian; Hellander, Andreas; Bales, Ben; ...

2016-12-08

We present StochSS: Stochastic Simulation as a Service, an integrated development environment for modeling and simulation of both deterministic and discrete stochastic biochemical systems in up to three dimensions. An easy to use graphical user interface enables researchers to quickly develop and simulate a biological model on a desktop or laptop, which can then be expanded to incorporate increasing levels of complexity. StochSS features state-of-the-art simulation engines. As the demand for computational power increases, StochSS can seamlessly scale computing resources in the cloud. In addition, StochSS can be deployed as a multi-user software environment where collaborators share computational resources andmore » exchange models via a public model repository. We also demonstrate the capabilities and ease of use of StochSS with an example of model development and simulation at increasing levels of complexity.« less

Automatic mesh adaptivity for hybrid Monte Carlo/deterministic neutronics modeling of difficult shielding problems

DOE PAGES

Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; ...

2015-06-30

The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as muchmore » geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.« less

Assessment of effectiveness of geologic isolation systems. Geologic-simulation model for a hypothetical site in the Columbia Plateau. Volume 2: results

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

Foley, M.G.; Petrie, G.M.; Baldwin, A.J.

1982-06-01

This report contains the input data and computer results for the Geologic Simulation Model. This model is described in detail in the following report: Petrie, G.M., et. al. 1981. Geologic Simulation Model for a Hypothetical Site in the Columbia Plateau, Pacific Northwest Laboratory, Richland, Washington. The Geologic Simulation Model is a quasi-deterministic process-response model which simulates, for a million years into the future, the development of the geologic and hydrologic systems of the ground-water basin containing the Pasco Basin. Effects of natural processes on the ground-water hydrologic system are modeled principally by rate equations. The combined effects and synergistic interactionsmore » of different processes are approximated by linear superposition of their effects during discrete time intervals in a stepwise-integration approach.« less

Substrate specificity of the aspartate:alanine antiporter (AspT) of Tetragenococcus halophilus in reconstituted liposomes.

PubMed

Sasahara, Ayako; Nanatani, Kei; Enomoto, Masaru; Kuwahara, Shigefumi; Abe, Keietsu

2011-08-19

The aspartate:alanine antiporter (AspT) of the lactic acid bacterium Tetragenococcus halophilus is a member of the aspartate:alanine exchanger (AAEx) transporter family. T. halophilus AspT catalyzes the electrogenic exchange of L-aspartate(1-) with L-alanine(0). Although physiological functions of AspT were well studied, L-aspartate(1-):L-alanine(0) antiport mechanisms are still unsolved. Here we report that the binding sites of L-aspartate and L-alanine are independently present in AspT by means of the kinetic studies. We purified His(6)-tagged T. halophilus AspT and characterized its kinetic properties when reconstituted in liposomes (K(m) = 0.35 ± 0.03 mm for L-aspartate, K(m) = 0.098 ± 0 mm for D-aspartate, K(m) = 26 ± 2 mm for L-alanine, K(m) = 3.3 ± 0.2 mm for D-alanine). Competitive inhibition by various amino acids of L-aspartate or L-alanine in self-exchange reactions revealed that L-cysteine selectively inhibited L-aspartate self-exchange but only weakly inhibited L-alanine self-exchange. Additionally, L-serine selectively inhibited L-alanine self-exchange but barely inhibited L-aspartate self-exchange. The aspartate analogs L-cysteine sulfinic acid, L-cysteic acid, and D-cysteic acid competitively and strongly inhibited L-aspartate self-exchange compared with L-alanine self-exchange. Taken together, these kinetic data suggest that the putative binding sites of L-aspartate and L-alanine are independently located in the substrate translocation pathway of AspT.

Expansion or extinction: deterministic and stochastic two-patch models with Allee effects.

PubMed

Kang, Yun; Lanchier, Nicolas

2011-06-01

We investigate the impact of Allee effect and dispersal on the long-term evolution of a population in a patchy environment. Our main focus is on whether a population already established in one patch either successfully invades an adjacent empty patch or undergoes a global extinction. Our study is based on the combination of analytical and numerical results for both a deterministic two-patch model and a stochastic counterpart. The deterministic model has either two, three or four attractors. The existence of a regime with exactly three attractors only appears when patches have distinct Allee thresholds. In the presence of weak dispersal, the analysis of the deterministic model shows that a high-density and a low-density populations can coexist at equilibrium in nearby patches, whereas the analysis of the stochastic model indicates that this equilibrium is metastable, thus leading after a large random time to either a global expansion or a global extinction. Up to some critical dispersal, increasing the intensity of the interactions leads to an increase of both the basin of attraction of the global extinction and the basin of attraction of the global expansion. Above this threshold, for both the deterministic and the stochastic models, the patches tend to synchronize as the intensity of the dispersal increases. This results in either a global expansion or a global extinction. For the deterministic model, there are only two attractors, while the stochastic model no longer exhibits a metastable behavior. In the presence of strong dispersal, the limiting behavior is entirely determined by the value of the Allee thresholds as the global population size in the deterministic and the stochastic models evolves as dictated by their single-patch counterparts. For all values of the dispersal parameter, Allee effects promote global extinction in terms of an expansion of the basin of attraction of the extinction equilibrium for the deterministic model and an increase of the probability of extinction for the stochastic model.

Globalization amid the Cornfields: Teaching Sustainable Practices in the American Midwest

ERIC Educational Resources Information Center

Writing Instructor, 2010

2010-01-01

This article discusses three sites that disrupt accustomed expectations and roles for technical communication. These sites include an agricultural processing site that is requesting tax abatements in exchange for decreased emissions so that it can remain competitive in the global market. The second is also an agricultural manufacturing site that…

Impacts of Precipitation Diurnal Timing on Ecosystem Carbon Exchanges in Grasslands: A Synthesis of AmeriFlux Data

NASA Astrophysics Data System (ADS)

Song, X.; Xu, X.; Tweedie, C. E.

2015-12-01

Drylands have been found playing an important role regulating the seasonality of global atmospheric carbon dioxide concentrations. Precipitation is a primary control of ecosystem carbon exchanges in drylands where a large proportion of the annual total rainfall arrives through a small number of episodic precipitation events. While a large number of studies use the concept of "precipitation pulses" to explore the effects of short-term precipitation events on dryland ecosystem function, few have specifically evaluated the importance of the diurnal timing of these events. The primary goal of this study was to determine how the diurnal timing of rainfall events impacts land-atmosphere net ecosystem CO2 exchanges (NEE) and ecosystem respiration in drylands. Our research leverages a substantial and existing long-term database (AmeriFlux) that describes NEE, Reco and meteorological conditions at 11 sites situated in different dryland ecosystems in South West America. All sites employ the eddy covariance technique to measure land-atmosphere the CO2 exchange rates between atmosphere and ecosystem. Data collected at these sites range from 4 to 10 years, totaling up to 73 site-years. We found that episodic precipitation events stimulate not only vegetation photosynthesis but also ecosystem respiration. Specifically, the morning precipitation events decrease photosynthesis function at daytime and increase ecosystem respiration at nighttime; the afternoon precipitation events do not stimulate ecosystem photosynthesis at daytime, while stimulate ecosystem respiration; the night precipitations suppress photosynthesis at daytime, and enhance ecosystem respiration at nighttime.

Practices, technologies, and usage of incident management and traveler information exchange and sharing in Texas

DOT National Transportation Integrated Search

2001-12-01

In this report, researchers present a review of the practices and technologies being used in Texas for incident management and traveler information exchange and sharing. Through interviews and site visits, researchers assimilated data from the Dallas...

Modelling the diffusive transport and remobilisation of 137Cs in sediments: The effects of sorption kinetics and reversibility

NASA Astrophysics Data System (ADS)

Smith, J. T.; Comans, R. N. J.

1996-03-01

In determining the mobility of ions in sediments it is important to take account of the solid phase sorption and speciation. Measurements were made of activity depth profiles of 137Cs from fallout from Nuclear Weapons Testing and from the Chernobyl accident in two lake sediments. The fraction of 137Cs in the aqueous, exchangeably sorbed and "fixed" phases was determined at each depth interval. A model was developed to simulate the transport of 137Cs in these sediments, taking account of changes in sorption properties as the concentration of the competing ammonium ion changes with depth, as well as transfers of activity to less-exchangeable sites on the solids. The model simulations give reasonable agreement with experimental data, and the fitted rate constant for slow transfers to less-exchangeable sites ( T1/2 = 50-125 d) is in agreement with independent measurements. The modelling gave evidence for a reverse reaction from less-exchangeable to exchangeable sites with a half-life of order 10 y. Model results were compared with those generated by a physical mixing model and the standard molecular diffusion model assuming equilibrium sorption to the solid phase. Estimates were made of the remobilisation of Chernobyl 137Cs from these sediments to the water column: predicted rates vary from around 3% of the inventory per year 2 years after the fallout event to 0.04% per year 30 years after the fallout.

The time-dependence of exchange-induced relaxation during modulated radio frequency pulses.

PubMed

Sorce, Dennis J; Michaeli, Shalom; Garwood, Michael

2006-03-01

The problem of the relaxation of identical spins 1/2 induced by chemical exchange between spins with different chemical shifts in the presence of time-dependent RF irradiation (in the first rotating frame) is considered for the fast exchange regime. The solution for the time evolution under the chemical exchange Hamiltonian in the tilted doubly rotating frame (TDRF) is presented. Detailed derivation is specified to the case of a two-site chemical exchange system with complete randomization between jumps of the exchanging spins. The derived theory can be applied to describe the modulation of the chemical exchange relaxation rate constants when using a train of adiabatic pulses, such as the hyperbolic secant pulse. Theory presented is valid for quantification of the exchange-induced time-dependent rotating frame longitudinal T1rho,ex and transverse T2rho,ex relaxations in the fast chemical exchange regime.

Ammonia IRMS-TPD study on the distribution of acid sites in mordenite.

PubMed

Niwa, Miki; Suzuki, Katsuki; Katada, Naonobu; Kanougi, Tomonori; Atoguchi, Takashi

2005-10-13

Using an IRMS-TPD (temperature programmed desorption) of ammonia, we studied the nature, strength, crystallographic location, and distribution of acid sites of mordenite. In this method, infrared spectroscopy (IR) and mass spectroscopy (MS) work together to follow the thermal behavior of adsorbed and desorbed ammonia, respectively; therefore, adsorbed species were identified, and their thermal behavior was directly connected with the desorption of ammonia during an elevation of temperature. IR-measured TPD of the NH4(+) cation was similar to MS-measured TPD, thus showing the nature of Brønsted acidity. From the behavior of OH bands, it was found that the Brønsted acid sites consisted of two kinds of OH bands at high and low wavenumbers, ascribable to OH bands situated on 12- and 8-member rings (MR) of mordenite structure, respectively. The amount and strength of these Brønsted hydroxyls were measured quantitatively based on a theoretical equation using a curve fitting method. Up to ca. 30% of the exchange degree, NH4(+) was exchanged with Na+ on the 12-MR to arrive at saturation; therefore, in this region, the Brønsted acid site was situated on the large pore of 12-MR. The NH4(+) cation was then exchanged with Na+ on 8-MR, and finally exceeded the amount on 12-MR. In the 99% NH4-mordenite, Brønsted acid sites were located predominantly on the 8-MR more than on the 12-MR. Irrespective of the NH4(+) exchange degree, the strengths deltaH of Brønsted OH were 145 and 153 kJ mol(-1) on the 12- and 8-MR, respectively; that is, the strength of Brønsted acid site on the 8-MR was larger than that on the 12-MR. A density functional theory (DFT) calculation supported the difference in the strengths of the acid sites. Catalytic cracking activity of the Brønsted acid sites on the 8-MR declined rapidly, while that on the 12-MR was remarkably kept. The difference in strength and/or steric capacity may cause such a difference in the life of a catalyst.

Tanks Focus Area site needs assessment FY 1998

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

NONE

This report documents the process used by the Tanks Focus Area (TFA) to analyze and develop responses to technology needs submitted by four major US Department of Energy (DOE) sites with radioactive tank waste problems, and the initial results of the analysis. The sites are the Hanford Site, Idaho National Engineering and Environmental Laboratory (INEEL), Oak Ridge Reservation (ORR), and Savannah River Site (SRS). This document describes the TFA`s process of collecting site needs, analyzing them, and creating technical responses to the sites. It also summarizes the information contained within the TFA needs database, portraying information provided by four majormore » DOE sites with tank waste problems. The overall TFA program objective is to deliver a tank technology program that reduces the current cost, and the operational and safety risks of tank remediation. The TFA`s continues to enjoy close, cooperative relationships with each site. During the past year, the TFA has fostered exchanges of technical information between sites. These exchanges have proven to be healthy for all concerned. The TFA recognizes that site technology needs often change, and the TFA must be prepared not only to amend its program in response, but to help the sites arrive at the best technical approach to solve revised site needs.« less

Long-term observations of CO2 exchange over agricultural crops in two regional climates of Southwest Germany

NASA Astrophysics Data System (ADS)

Poyda, Arne; Wizemann, Hans-Dieter; Ingwersen, Joachim; Wulfmeyer, Volker; Streck, Thilo

2017-04-01

The impact of agricultural land use on soil organic carbon (SOC) dynamics has been widely studied in the past few decades, particularly in context of the SOC forcing or mitigation potential of global climate change. Grassland utilization can increase or maintain SOC stocks. Arable cropping tends to decrease SOC stocks, at least for some time after land use change (SMITH, 2008). In the long run, it can be assumed that SOC reaches a steady state where the production of roots and aboveground crop residues and possibly organic fertilization level out soil respiration. To study the effects of crop type, year and regional site conditions on CO2 exchange and C budgets of arable cropping systems in Southwest Germany, eddy covariance measurements were conducted on a total of six sites in the two climatically contrasting regions of Kraichgau and Swabian Alb since 2009. Main crops were winter wheat, silage maize and winter rapeseed but also winter barley, summer barley and spelt were cultivated on the Swabian Alb sites. Cover crops were grown between winter and summer crops on all sites. Net ecosystem exchange (NEE) data were gap-filled following REICHSTEIN et al. (2005) and partitioned into ecosystem respiration (RECO) and gross primary production (GPP) using seasonally differing temperature response functions of nighttime NEE. Furthermore, different approaches for filling long data gaps of several months in winter were evaluated. Considering C inputs by organic fertilizers and C removals by harvest, C budgets were calculated per site and year. First results indicate that the variability of NEE fluxes between different crops is much higher compared to the variability between different years of a certain crop. However, regional differences in soil and weather conditions significantly influence plant growth dynamics and thus CO2 exchange.

A classification system of intraocular lens dislocation sites under operating microscopy, and the surgical techniques and outcomes of exchange surgery.

PubMed

Hayashi, Ken; Ogawa, Soichiro; Manabe, Shin-Ichi; Hirata, Akira; Yoshimura, Koichi

2016-03-01

The aim of this study was to examine the recent status of intraocular lens (IOL) dislocation according to a classification system based on vertical dislocation position, as well as the surgical techniques and outcomes of IOL exchange surgery. The medical records of 230 eyes from 214 consecutive patients who experienced IOL dislocation and underwent exchange surgery between 2006 and 2014 were reviewed. Vertical dislocation sites observed preoperatively under operating microscopy were examined, along with the surgical techniques and outcomes of IOL exchange. Dislocation sites included (1) the anterior chamber (12.2 %), (2) pseudophakodonesis (19.1 %), (3) the anterior vitreous cavity (47.4 %), (4) trap door-like dislocation (dangling in the peripheral vitreous cavity; 16.1 %), and (5) the retinal surface (5.2 %). The IOL retained in the anterior segment was moved onto the iris by pulling it up through the limbal side ports with an anterior vitrectomy (67.8 %), or by pushing it up from the pars plana with an anterior vitrectomy (26.5 %), while the IOL dropped on the retina was lifting it up from the retina after pars plana vitrectomy (5.7 %). Mean uncorrected and distance-corrected visual acuity significantly improved postoperatively (p < 0.0001). Major complications included a marked elevation in intraocular pressure (7.8 %), pupillary capture (6.5 %), and vitreous hemorrhage (2.6 %). Based on the classification system, approximately 95 % of dislocated IOLs were retained in the anterior segment, and these IOLs were exchanged using an anterior approach through limbal incisions with an anterior vitrectomy. Visual acuity improved significantly, and serious complications were uncommon, probably because the IOL exchange techniques were standardized and simplified without pars plana vitrectomy.

Estimating the epidemic threshold on networks by deterministic connections

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

Li, Kezan, E-mail: lkzzr@sohu.com; Zhu, Guanghu; Fu, Xinchu

2014-12-15

For many epidemic networks some connections between nodes are treated as deterministic, while the remainder are random and have different connection probabilities. By applying spectral analysis to several constructed models, we find that one can estimate the epidemic thresholds of these networks by investigating information from only the deterministic connections. Nonetheless, in these models, generic nonuniform stochastic connections and heterogeneous community structure are also considered. The estimation of epidemic thresholds is achieved via inequalities with upper and lower bounds, which are found to be in very good agreement with numerical simulations. Since these deterministic connections are easier to detect thanmore » those stochastic connections, this work provides a feasible and effective method to estimate the epidemic thresholds in real epidemic networks.« less

Experimental demonstration on the deterministic quantum key distribution based on entangled photons.

PubMed

Chen, Hua; Zhou, Zhi-Yuan; Zangana, Alaa Jabbar Jumaah; Yin, Zhen-Qiang; Wu, Juan; Han, Yun-Guang; Wang, Shuang; Li, Hong-Wei; He, De-Yong; Tawfeeq, Shelan Khasro; Shi, Bao-Sen; Guo, Guang-Can; Chen, Wei; Han, Zheng-Fu

2016-02-10

As an important resource, entanglement light source has been used in developing quantum information technologies, such as quantum key distribution(QKD). There are few experiments implementing entanglement-based deterministic QKD protocols since the security of existing protocols may be compromised in lossy channels. In this work, we report on a loss-tolerant deterministic QKD experiment which follows a modified "Ping-Pong"(PP) protocol. The experiment results demonstrate for the first time that a secure deterministic QKD session can be fulfilled in a channel with an optical loss of 9 dB, based on a telecom-band entangled photon source. This exhibits a conceivable prospect of ultilizing entanglement light source in real-life fiber-based quantum communications.

Experimental demonstration on the deterministic quantum key distribution based on entangled photons

PubMed Central

Chen, Hua; Zhou, Zhi-Yuan; Zangana, Alaa Jabbar Jumaah; Yin, Zhen-Qiang; Wu, Juan; Han, Yun-Guang; Wang, Shuang; Li, Hong-Wei; He, De-Yong; Tawfeeq, Shelan Khasro; Shi, Bao-Sen; Guo, Guang-Can; Chen, Wei; Han, Zheng-Fu

2016-01-01

As an important resource, entanglement light source has been used in developing quantum information technologies, such as quantum key distribution(QKD). There are few experiments implementing entanglement-based deterministic QKD protocols since the security of existing protocols may be compromised in lossy channels. In this work, we report on a loss-tolerant deterministic QKD experiment which follows a modified “Ping-Pong”(PP) protocol. The experiment results demonstrate for the first time that a secure deterministic QKD session can be fulfilled in a channel with an optical loss of 9 dB, based on a telecom-band entangled photon source. This exhibits a conceivable prospect of ultilizing entanglement light source in real-life fiber-based quantum communications. PMID:26860582

Vascular Patterns in Iguanas and Other Squamates: Blood Vessels and Sites of Thermal Exchange

PubMed Central

Porter, William Ruger; Witmer, Lawrence M.

2015-01-01

Squamates use the circulatory system to regulate body and head temperatures during both heating and cooling. The flexibility of this system, which possibly exceeds that of endotherms, offers a number of physiological mechanisms to gain or retain heat (e.g., increase peripheral blood flow and heart rate, cooling the head to prolong basking time for the body) as well as to shed heat (modulate peripheral blood flow, expose sites of thermal exchange). Squamates also have the ability to establish and maintain the same head-to-body temperature differential that birds, crocodilians, and mammals demonstrate, but without a discrete rete or other vascular physiological device. Squamates offer important anatomical and phylogenetic evidence for the inference of the blood vessels of dinosaurs and other extinct archosaurs in that they shed light on the basal diapsid condition. Given this basal positioning, squamates likewise inform and constrain the range of physiological thermoregulatory mechanisms that may have been found in Dinosauria. Unfortunately, the literature on squamate vascular anatomy is limited. Cephalic vascular anatomy of green iguanas (Iguana iguana) was investigated using a differential-contrast, dual-vascular injection (DCDVI) technique and high-resolution X-ray microcomputed tomography (μCT). Blood vessels were digitally segmented to create a surface representation of vascular pathways. Known sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in brain and cephalic thermoregulation. Blood vessels to and from sites of thermal exchange were investigated to detect conserved vascular patterns and to assess their ability to deliver cooled blood to the dural venous sinuses. Arteries within sites of thermal exchange were found to deliver blood directly and through collateral pathways. The venous drainage was found to have multiple pathways that could influence neurosensory tissue temperature, as well as pathways that would bypass neurosensory tissues. The orbital region houses a large venous sinus that receives cooled blood from the nasal region. Blood vessels from the nasal region and orbital sinus show anastomotic connections to the dural sinus system, allowing for the direct modulation of brain temperatures. The generality of the vascular patterns discovered in iguanas were assessed by firsthand comparison with other squamates taxa (e.g., via dissection and osteological study) as well as the literature. Similar to extant archosaurs, iguanas and other squamates have highly vascularized sites of thermal exchange that likely support physiological thermoregulation that “fine tunes” temperatures attained through behavioral thermoregulation. PMID:26466378

Vascular patterns in the heads of crocodilians: blood vessels and sites of thermal exchange.

PubMed

Porter, William Ruger; Sedlmayr, Jayc C; Witmer, Lawrence M

2016-12-01

Extant crocodilians are a highly apomorphic archosaur clade that is ectothermic, yet often achieve large body sizes that can be subject to higher heat loads. Therefore, the anatomical and physiological roles that blood vessels play in crocodilian thermoregulation need further investigation to better understand how crocodilians establish and maintain cephalic temperatures and regulate neurosensory tissue temperatures during basking and normal activities. The cephalic vascular anatomy of extant crocodilians, particularly American alligator (Alligator mississippiensis) was investigated using a differential-contrast, dual-vascular injection technique and high resolution X-ray micro-computed tomography (μCT). Blood vessels were digitally isolated to create representations of vascular pathways. The specimens were then dissected to confirm CT results. Sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in evaporative cooling and cephalic thermoregulation in other diapsids. Blood vessels to and from sites of thermal exchange were studied to detect conserved vascular patterns and to assess their ability to deliver cooled blood to neurosensory tissues. Within the orbital region, both the arteries and veins demonstrated consistent branching patterns, with the supraorbital, infraorbital, and ophthalmotemporal vessels supplying and draining the orbit. The venous drainage of the orbital region showed connections to the dural sinuses via the orbital veins and cavernous sinus. The palatal region demonstrated a vast plexus that comprised both arteries and veins. The most direct route of venous drainage of the palatal plexus was through the palatomaxillary veins, essentially bypassing neurosensory tissues. Anastomotic connections with the nasal region, however, may provide an alternative route for palatal venous blood to reach neurosensory tissues. The nasal region in crocodilians is probably the most prominent site of thermal exchange, as it offers a substantial surface area and is completely surrounded by blood vessels. The venous drainage routes from the nasal region offer routes directly to the dural venous sinuses and the orbit, offering evidence of the potential to directly affect neurosensory tissue temperatures. The evolutionary history of crocodilians is complex, with large-bodied, terrestrial, and possibly endothermic taxa that may have had to deal with thermal loads that likely provided the anatomical building-blocks for such an extensive vascularization of sites of thermal exchange. A clear understanding of the physiological abilities and the role of blood vessels in the thermoregulation of crocodilians neurosensory tissues is not available but vascular anatomical patterns of crocodilian sites of thermal exchange indicate possible physiological abilities that may be more sophisticated than in other extant diapsids. © 2016 Anatomical Society.

Vascular Patterns in Iguanas and Other Squamates: Blood Vessels and Sites of Thermal Exchange.

PubMed

Porter, William Ruger; Witmer, Lawrence M

2015-01-01

Squamates use the circulatory system to regulate body and head temperatures during both heating and cooling. The flexibility of this system, which possibly exceeds that of endotherms, offers a number of physiological mechanisms to gain or retain heat (e.g., increase peripheral blood flow and heart rate, cooling the head to prolong basking time for the body) as well as to shed heat (modulate peripheral blood flow, expose sites of thermal exchange). Squamates also have the ability to establish and maintain the same head-to-body temperature differential that birds, crocodilians, and mammals demonstrate, but without a discrete rete or other vascular physiological device. Squamates offer important anatomical and phylogenetic evidence for the inference of the blood vessels of dinosaurs and other extinct archosaurs in that they shed light on the basal diapsid condition. Given this basal positioning, squamates likewise inform and constrain the range of physiological thermoregulatory mechanisms that may have been found in Dinosauria. Unfortunately, the literature on squamate vascular anatomy is limited. Cephalic vascular anatomy of green iguanas (Iguana iguana) was investigated using a differential-contrast, dual-vascular injection (DCDVI) technique and high-resolution X-ray microcomputed tomography (μCT). Blood vessels were digitally segmented to create a surface representation of vascular pathways. Known sites of thermal exchange, consisting of the oral, nasal, and orbital regions, were given special attention due to their role in brain and cephalic thermoregulation. Blood vessels to and from sites of thermal exchange were investigated to detect conserved vascular patterns and to assess their ability to deliver cooled blood to the dural venous sinuses. Arteries within sites of thermal exchange were found to deliver blood directly and through collateral pathways. The venous drainage was found to have multiple pathways that could influence neurosensory tissue temperature, as well as pathways that would bypass neurosensory tissues. The orbital region houses a large venous sinus that receives cooled blood from the nasal region. Blood vessels from the nasal region and orbital sinus show anastomotic connections to the dural sinus system, allowing for the direct modulation of brain temperatures. The generality of the vascular patterns discovered in iguanas were assessed by firsthand comparison with other squamates taxa (e.g., via dissection and osteological study) as well as the literature. Similar to extant archosaurs, iguanas and other squamates have highly vascularized sites of thermal exchange that likely support physiological thermoregulation that "fine tunes" temperatures attained through behavioral thermoregulation.

Industrial waste exchange: a mechanism for saving energy and money

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

Gaines, L.L.

1983-01-01

Although considerable savings of both energy and money are possible through waste exchange, several major impediments limit the number of actual exchanges that take place. These impediments include the lack of economical separation technology, the small quantities of material available at each site, restrictive or uncertain regulation, and lack of knowledge on the part of potential waste users. None of these barriers is insurmountable if appropriate action is taken.

Feasibility of Renewable Energy Technology at the Afghanistan National Security University: A Site-Specific Study Focused on Potential Renewable Energy Technologies in Northwest Kabul, Afghanistan

DTIC Science & Technology

2011-04-26

70% H2, O2 Proton exchange membrane fuel cell ( PEMFC ) Proton exchange membrane Rm temp to 80 °C 40–60% H2, O2, Air Direct methanol fuel cell...Cell PEMFC Proton Exchange Membrane Fuel Cell PV Photovoltaic SHGC Solar Heat Gain Coefficient SIR savings to investment ratio SOFC Solid Oxide

Sustainability likelihood of remediation options for metal-contaminated soil/sediment.

PubMed

Chen, Season S; Taylor, Jessica S; Baek, Kitae; Khan, Eakalak; Tsang, Daniel C W; Ok, Yong Sik

2017-05-01

Multi-criteria analysis and detailed impact analysis were carried out to assess the sustainability of four remedial alternatives for metal-contaminated soil/sediment at former timber treatment sites and harbour sediment with different scales. The sustainability was evaluated in the aspects of human health and safety, environment, stakeholder concern, and land use, under four different scenarios with varying weighting factors. The Monte Carlo simulation was performed to reveal the likelihood of accomplishing sustainable remediation with different treatment options at different sites. The results showed that in-situ remedial technologies were more sustainable than ex-situ ones, where in-situ containment demonstrated both the most sustainable result and the highest probability to achieve sustainability amongst the four remedial alternatives in this study, reflecting the lesser extent of off-site and on-site impacts. Concerns associated with ex-situ options were adverse impacts tied to all four aspects and caused by excavation, extraction, and off-site disposal. The results of this study suggested the importance of considering the uncertainties resulting from the remedial options (i.e., stochastic analysis) in addition to the overall sustainability scores (i.e., deterministic analysis). The developed framework and model simulation could serve as an assessment for the sustainability likelihood of remedial options to ensure sustainable remediation of contaminated sites. Copyright © 2017 Elsevier Ltd. All rights reserved.

Methods of linking mothers and infants using health plan data for studies of pregnancy outcomes.

PubMed

Johnson, Karin E; Beaton, Sarah J; Andrade, Susan E; Cheetham, T Craig; Scott, Pamela E; Hammad, Tarek A; Dashevsky, Inna; Cooper, William O; Davis, Robert L; Pawloski, Pamala A; Raebel, Marsha A; Smith, David H; Toh, Sengwee; Li, De-Kun; Haffenreffer, Katherine; Dublin, Sascha

2013-07-01

Research on medication safety in pregnancy often utilizes health plan and birth certificate records. This study discusses methods used to link mothers with infants, a crucial step in such research. We describe how eight sites participating in the Medication Exposure in Pregnancy Risk Evaluation Program created linkages between deliveries, infants and birth certificates for the 2001-2007 birth cohorts. We describe linkage rates across sites, and for two sites, we compare the characteristics of populations linked using different methods. Of 299,260 deliveries, 256,563 (86%; range by site, 74-99%) could be linked to infants using a deterministic algorithm. At two sites, using birth certificate data to augment mother-infant linkage increased the representation of mothers who were Hispanic or non-White, younger, Medicaid recipients, or had low educational level. A total of 236,460 (92%; range by site, 82-100%) deliveries could be linked to a birth certificate. Tailored approaches enabled linking most deliveries to infants and to birth certificates, even when data systems differed. The methods used may affect the composition of the population identified. Linkages established with such methods can support sound pharmacoepidemiology studies of maternal drug exposure outside the context of a formal registry. Copyright © 2013 John Wiley & Sons, Ltd.

Strategies for obtaining obsidian in pre-European contact era New Zealand.

PubMed

McCoy, Mark D; Carpenter, Jonathan

2014-01-01

Archaeological evidence of people's choices regarding how they supply themselves with obsidian through direct access and different types of exchanges gives us insight in to mobility, social networks, and property rights in the distant past. Here we use collections of obsidian artefacts that date to a period of endemic warfare among Maori during New Zealand's Late Period (1500-1769 A.D.) to determine what strategies people engaged in to obtain obsidian, namely (1) collecting raw material directly from a natural source, (2) informal trade and exchange, and (3) formal trade and exchange. These deposits represent a good cross-section of Late Period archaeology, including primary working of raw material at a natural source (Helena Bay), undefended sites where people discarded rubbish and worked obsidian (Bream Head), and a heavily fortified site (Mt. Wellington). We find that most of the obsidian described here was likely obtained directly from natural sources, especially those located on off-shore islands within about 60-70 km of sites. A smaller amount comes from blocks of material transported from an off-shore island a greater distance away, called Mayor Island, in a formal trade and exchange network. This study demonstrates the value of conducting tandem lithic technology and geochemical sourcing studies to understand how people create and maintain social networks during periods of warfare.

Efficient conditional and promoter-specific in vivo expression of cDNAs of choice by taking advantage of recombinase-mediated cassette exchange using FlEx gene traps

PubMed Central

Schebelle, Laura; Wolf, Claudia; Stribl, Carola; Javaheri, Tahereh; Schnütgen, Frank; Ettinger, Andreas; Ivics, Zoltán; Hansen, Jens; Ruiz, Patricia; von Melchner, Harald; Wurst, Wolfgang; Floss, Thomas

2010-01-01

Recombinase-mediated cassette exchange (RMCE) exploits the possibility to unidirectionally exchange any genetic material flanked by heterotypic recombinase recognition sites (RRS) with target sites in the genome. Due to a limited number of available pre-fabricated target sites, RMCE in mouse embryonic stem (ES) cells has not been tapped to its full potential to date. Here, we introduce a universal system, which allows the targeted insertion of any given transcriptional unit into 85 742 previously annotated retroviral conditional gene trap insertions, representing 7013 independent genes in mouse ES cells, by RMCE. This system can be used to express any given cDNA under the control of endogenous trapped promoters in vivo, as well as for the generation of transposon ‘launch pads’ for chromosomal region-specific ‘Sleeping Beauty’ insertional mutagenesis. Moreover, transcription of the gene-of-interest is only activated upon Cre-recombinase activity, a feature that adds conditionality to this expression system, which is demonstrated in vivo. The use of the RMCE system presented in this work requires one single-cloning step followed by one overnight gateway clonase reaction and subsequent cassette exchange in ES cells with efficiencies of 40% in average. PMID:20139417

78 FR 65734 - Self-Regulatory Organizations; Topaz Exchange LLC; Notice of Filing and Immediate Effectiveness...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-11-01

... Proposed Rule Change Topaz is proposing to amend its Schedule of Fees to adopt a continuing education fee... Internet Web site at http://www.ise.com , at the principal office of the Exchange, and at the Commission's...

A mechanism for the activation of the Na/H exchanger NHE-1 by cytoplasmic acidification and mitogens

PubMed Central

Lacroix, Jérôme; Poët, Mallorie; Maehrel, Céline; Counillon, Laurent

2004-01-01

Eukaryotic cells constantly have to fight against internal acidification. In mammals, this task is mainly performed by the ubiquitously expressed electroneutral Na+/H+ exchanger NHE-1, which activates in a cooperative manner when cells become acidic. Despite its biological importance, the mechanism of this activation is still poorly understood, the most commonly accepted hypothesis being the existence of a proton-sensor site on the internal face of the transporter. This work uncovers mutations that lead to a nonallosteric form of the exchanger and demonstrates that NHE-1 activation is best described by a Monod–Wyman–Changeux concerted mechanism for a dimeric transporter. During intracellular acidification, a low-affinity form of NHE-1 is converted into a form possessing a higher affinity for intracellular protons, with no requirement for an additional proton-sensor site on the protein. This new mechanism also explains the activation of the exchanger by growth signals, which shift the equilibrium towards the high-affinity form. PMID:14710192

Structural basis for profilin-mediated actin nucleotide exchange

PubMed Central

Porta, Jason C.; Borgstahl, Gloria E.O.

2015-01-01

Actin is a ubiquitous eukaryotic protein that is responsible for cellular scaffolding, motility and division. The ability of actin to form a helical filament is the driving force behind these cellular activities. Formation of a filament is dependent the successful exchange of actin’s ADP for ATP. Mammalian profilin is a small actin binding protein that catalyzes the exchange of nucleotide and facilitates the addition of an actin monomer to a growing filament. Here, crystal structures of profilin:actin have been determined showing an actively exchanging ATP. The structural analysis shows how the binding of profilin to the barbed end of actin causes a rotation of the small domain relative to the large domain. This conformational change is propagated to the ATP site and causes a shift in the nucleotide loops which in turn causes a repositioning of Ca2+ to its canonical position as the cleft closes around ATP. Reversing the solvent exposure of Trp-356 is also involved in cleft closure. In addition, secondary calcium binding sites were identified. PMID:22366544

Characterization of normality of chaotic systems including prediction and detection of anomalies

NASA Astrophysics Data System (ADS)

Engler, Joseph John

Accurate prediction and control pervades domains such as engineering, physics, chemistry, and biology. Often, it is discovered that the systems under consideration cannot be well represented by linear, periodic nor random data. It has been shown that these systems exhibit deterministic chaos behavior. Deterministic chaos describes systems which are governed by deterministic rules but whose data appear to be random or quasi-periodic distributions. Deterministically chaotic systems characteristically exhibit sensitive dependence upon initial conditions manifested through rapid divergence of states initially close to one another. Due to this characterization, it has been deemed impossible to accurately predict future states of these systems for longer time scales. Fortunately, the deterministic nature of these systems allows for accurate short term predictions, given the dynamics of the system are well understood. This fact has been exploited in the research community and has resulted in various algorithms for short term predictions. Detection of normality in deterministically chaotic systems is critical in understanding the system sufficiently to able to predict future states. Due to the sensitivity to initial conditions, the detection of normal operational states for a deterministically chaotic system can be challenging. The addition of small perturbations to the system, which may result in bifurcation of the normal states, further complicates the problem. The detection of anomalies and prediction of future states of the chaotic system allows for greater understanding of these systems. The goal of this research is to produce methodologies for determining states of normality for deterministically chaotic systems, detection of anomalous behavior, and the more accurate prediction of future states of the system. Additionally, the ability to detect subtle system state changes is discussed. The dissertation addresses these goals by proposing new representational techniques and novel prediction methodologies. The value and efficiency of these methods are explored in various case studies. Presented is an overview of chaotic systems with examples taken from the real world. A representation schema for rapid understanding of the various states of deterministically chaotic systems is presented. This schema is then used to detect anomalies and system state changes. Additionally, a novel prediction methodology which utilizes Lyapunov exponents to facilitate longer term prediction accuracy is presented and compared with other nonlinear prediction methodologies. These novel methodologies are then demonstrated on applications such as wind energy, cyber security and classification of social networks.

The Natural Enrichment of Stable Cesium in Weathered Micaceous Materials and Its Implications for 137Cs Sorption.

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

Elliott, W. Crawford; Kahn, Bernd; Rosson, Robert

2011-11-14

In this exploratory project, we are testing two interrelated hypotheses about the sorption of Cs within weathered micaceous materials in subsurface regolith materials from the Savannah River Site (SRS) located on the Atlantic Coastal Plain: 1) that stable cesium has become significantly enriched relative to potassium in subsurface micaceous particles as a result of chemical weathering processes; and 2) that the Cs so present is sufficient to be a major factor determining the ability of the subsurface materials to take up and hold 137Cs. To test these hypotheses, we collected by hand augur soil samples corresponding to soils representative atmore » the SRS: upland regolith (Fuquay series); soils formed on Tobacco Road Sandstone; and, soils formed on Quaternary Alluvium. From our data, the quantification of the amounts of stable cesium concentrated in various sites within 2:1 phyllosilicates by natural processes is highly relevant toward understanding the future sorption of 137Cs by the mica, illite, vermiculite, and hydroxyl interstratified vermiculite (HIV) phases present in the subsurface at and in proximity to SRS. Studying sorption and fixation of Cs in these micaceous phases interlayers potentially leads to increased knowledge to the extent that stable Cs resists exchange with ion exchange cations (Mg, NH4, or even alkyl ammonium compounds) and to the extent that Cs can become fixed over the long term. Such knowledge will help in the development of 137Cs remediation strategies for the long-term, which is a critical aspect of the SBR goals. We characterized the mineralogy, K-Ar ages of the soil and soil clay fractions (before and after acid treatment), and alkali element chemistry (K, Rb, Cs) of the clay fractions of soils collected from these three different types of soils. The clay fractions of the Fuquay soils are composed of kaolinite, and hydroxy interstratified vermiculite (HIV). Kaolinite, HIV, quartz, gibbsite and illite are found in the quaternary soils. Leach experiments using 10% nitric acid and 50% nitric acid were performed on 62 mesh fractions to show the amounts of Cs and Rb relative to K (Cs/K, Rb/K) that are exchangeable in these soils compared to Coastal Plain micas and upper continental crust. The Cs/K and Rb/K of the leachates are considerably higher relative to both upper continental crust and relative to weathered micas found in Georgia Coast Plain sediments. The K-Ar ages of the clay fractions of five different SRS soil series were ca. 320 Ma. After leaching with nitric acid, the ages of the soil clay fractions were approximately the same as the unleached soil clays. Based on the similarity of these ages to the ages of Coastal Plain micas, the K and Ar remaining after treatment is believed to be enclosed in a relect mica in the HIV phases in the soils. The HIV is likely a mica-HIV intergrade. Based on these data, stable cesium has become significantly enriched relative to potassium in subsurface micaceous particles as a result of chemical weathering processes in the SRS Fuquay soils studied thus far. Our data permit the interpretation describing the sorption of Cs and Rb in an apex site or in a hard to reach hard-to-exchange sorption site during pedogenesis. In terms of testing the second hypothesis, our work is ongoing and we report some preliminary data on Cs-137 and Rb-85 exchange experiments on select SRS Fuquay soils (-2 mm). Our isotopic equilibration experiments using Cs and Rb isotopes in separate exchange experiments show only small amounts of Cs and Rb in the original sample is exchangeable isotopically for a period of a few weeks in acidified conditions. The isotope exchange experiments provide support for our interpretation that pedogenically accumulated Cs (and Rb) occupy sites that are unavailable to exchange or exchange slowly in acid conditions corresponding to present conditions in SRS soils. In more basic solutions, greater exchange isotopic exchange is noted and suggests an expansion of interlayer sites thereby permitting more isotopic exchange of Cs and Rb.« less

Complexation of iron hexacyanides by cytochrome c. Evidence for electron exchange at the exposed heme edge.

PubMed

Stellwagen, E; Cass, R D

1975-03-25

Electrostatic binding of at least two anionic iron hexacyanides to cationic horse heart cytochrome c was demonstrated by equilibrium dialysis measurements. No binding was detected following trifluoroacetylation of all of the 19 lysine residues. Replacement of the natural heme iron ligand methionine 80 by the alternative intrinsic ligand lysine 79 but not the extrinsic ligand imidazole resulted in the loss of one hexacyanide binding site. It is proposed that this site is located at the exposed heme edge and is functional in electron exchange.

Variation in whole DNA methylation in red maple (Acer rubrum) populations from a mining region: association with metal contamination and cation exchange capacity (CEC) in podzolic soils.

PubMed

Kalubi, K N; Mehes-Smith, M; Spiers, G; Omri, A

2017-04-01

Although a number of publications have provided convincing evidence that abiotic stresses such as drought and high salinity are involved in DNA methylation reports on the effects of metal contamination, pH, and cation exchange on DNA modifications are limited. The main objective of the present study is to determine the relationship between metal contamination and Cation exchange capacity (CEC) on whole DNA modifications. Metal analysis confirms that nickel and copper are the main contaminants in sampled sites within the Greater Sudbury Region (Ontario, Canada) and liming has increased soil pH significantly even after 30 years following dolomitic limestone applications. The estimated CEC values varied significantly among sites, ranging between 1.8 and 10.5 cmol(+) kg -1 , with a strong relationship being observed between CEC and pH (r = 0.96**). Cation exchange capacity, significantly lower in highly metal contaminated sites compared to both reference and less contaminated sites, was higher in the higher organic matter limed compared to unlimed sites. There was a significant variation in the level of cytosine methylation among the metal-contaminated sites. Significant and strong negative correlations between [5mdC]/[dG] and bioavailable nickel (r = -0.71**) or copper (r = -0.72**) contents were observed. The analysis of genomic DNA for adenine methylation in this study showed a very low level of [6N-mdA]/dT] in Acer rubrum plants analyzed ranging from 0 to 0.08%. Significant and very strong positive correlation was observed between [6N-mdA]/dT] and soil bioavailable nickel (r = 0.78**) and copper (r = 0.88**) content. This suggests that the increased bioavailable metal levels associated with contamination by nickel and copper particulates are associated with cytosine and adenine methylation.

Inferring Fitness Effects from Time-Resolved Sequence Data with a Delay-Deterministic Model.

PubMed

Nené, Nuno R; Dunham, Alistair S; Illingworth, Christopher J R

2018-05-01

A common challenge arising from the observation of an evolutionary system over time is to infer the magnitude of selection acting upon a specific genetic variant, or variants, within the population. The inference of selection may be confounded by the effects of genetic drift in a system, leading to the development of inference procedures to account for these effects. However, recent work has suggested that deterministic models of evolution may be effective in capturing the effects of selection even under complex models of demography, suggesting the more general application of deterministic approaches to inference. Responding to this literature, we here note a case in which a deterministic model of evolution may give highly misleading inferences, resulting from the nondeterministic properties of mutation in a finite population. We propose an alternative approach that acts to correct for this error, and which we denote the delay-deterministic model. Applying our model to a simple evolutionary system, we demonstrate its performance in quantifying the extent of selection acting within that system. We further consider the application of our model to sequence data from an evolutionary experiment. We outline scenarios in which our model may produce improved results for the inference of selection, noting that such situations can be easily identified via the use of a regular deterministic model. Copyright © 2018 Nené et al.

A passive air sampler for characterizing the vertical concentration profile of gaseous phase polycyclic aromatic hydrocarbons in near soil surface air.

PubMed

Zhang, Yuzhong; Deng, Shuxing; Liu, Yanan; Shen, Guofeng; Li, Xiqing; Cao, Jun; Wang, Xilong; Reid, Brian; Tao, Shu

2011-03-01

Air-soil exchange is an important process governing the fate of polycyclic aromatic hydrocarbons (PAHs). A novel passive air sampler was designed and tested for measuring the vertical concentration profile of 4 low molecular weight PAHs in gaseous phase (PAH(LMW4)) in near soil surface air. Air at various heights from 5 to 520 mm above the ground was sampled by polyurethane foam disks held in down-faced cartridges. The samplers were tested at three sites: A: an extremely contaminated site, B: a site near A, and C: a background site on a university campus. Vertical concentration gradients were revealed for PAH(LMW4) within a thin layer close to soil surface at the three sites. PAH concentrations either decreased (Site A) or increased (Sites B and C) with height, suggesting either deposition to or evaporation from soils. The sampler is a useful tool for investigating air-soil exchange of gaseous phase semi-volatile organic chemicals. Copyright © 2010 Elsevier Ltd. All rights reserved.

Loss estimation in southeast Korea from a scenario earthquake using the deterministic method in HAZUS

NASA Astrophysics Data System (ADS)

Kang, S.; Kim, K.; Suk, B.; Yoo, H.

2007-12-01

Strong ground motion attenuation relationship represents a comprehensive trend of ground shakings at sites with distances from the source, geology, local soil conditions, and others. It is necessary to develop an attenuation relationship with careful considerations of characteristics of the target area for reliable seismic hazard/risk assessments. In the study, observed ground motions from the January 2007 magnitude 4.9 Odaesan earthquake and the events occurring in the Gyeongsang provinces are compared with the previously proposed ground attenuation relationships in the Korean Peninsula to select most appropriate one. In the meantime, a few strong ground motion attenuation relationships are proposed and introduced in HAZUS, which have been designed for the Western United States and the Central and Eastern United States. The selected relationship from the ones for the Korean Peninsula has been compared with attenuation relationships available in HAZUS. Then, the attenuation relation for the Western United States proposed by Sadigh et al. (1997) for the Site Class B has been selected for this study. Reliability of the assessment will be improved by using an appropriate attenuation relation. It has been used for the earthquake loss estimation of the Gyeongju area located in southeast Korea using the deterministic method in HAZUS with a scenario earthquake (M=6.7). Our preliminary estimates show 15.6% damage of houses, shelter needs for about three thousands residents, and 75 life losses in the study area for the scenario events occurring at 2 A.M. Approximately 96% of hospitals will be in normal operation in 24 hours from the proposed event. Losses related to houses will be more than 114 million US dollars. Application of the improved methodology for loss estimation in Korea will help decision makers for planning disaster responses and hazard mitigation.

Controllability of Deterministic Networks with the Identical Degree Sequence

PubMed Central

Ma, Xiujuan; Zhao, Haixing; Wang, Binghong

2015-01-01

Controlling complex network is an essential problem in network science and engineering. Recent advances indicate that the controllability of complex network is dependent on the network's topology. Liu and Barabási, et.al speculated that the degree distribution was one of the most important factors affecting controllability for arbitrary complex directed network with random link weights. In this paper, we analysed the effect of degree distribution to the controllability for the deterministic networks with unweighted and undirected. We introduce a class of deterministic networks with identical degree sequence, called (x,y)-flower. We analysed controllability of the two deterministic networks ((1, 3)-flower and (2, 2)-flower) by exact controllability theory in detail and give accurate results of the minimum number of driver nodes for the two networks. In simulation, we compare the controllability of (x,y)-flower networks. Our results show that the family of (x,y)-flower networks have the same degree sequence, but their controllability is totally different. So the degree distribution itself is not sufficient to characterize the controllability of deterministic networks with unweighted and undirected. PMID:26020920

Inverse kinematic problem for a random gradient medium in geometric optics approximation

NASA Astrophysics Data System (ADS)

Petersen, N. V.

1990-03-01

Scattering at random inhomogeneities in a gradient medium results in systematic deviations of the rays and travel times of refracted body waves from those corresponding to the deterministic velocity component. The character of the difference depends on the parameters of the deterministic and random velocity component. However, at great distances to the source, independently of the velocity parameters (weakly or strongly inhomogeneous medium), the most probable depth of the ray turning point is smaller than that corresponding to the deterministic velocity component, the most probable travel times also being lower. The relative uncertainty in the deterministic velocity component, derived from the mean travel times using methods developed for laterally homogeneous media (for instance, the Herglotz-Wiechert method), is systematic in character, but does not exceed the contrast of velocity inhomogeneities by magnitude. The gradient of the deterministic velocity component has a significant effect on the travel-time fluctuations. The variance at great distances to the source is mainly controlled by shallow inhomogeneities. The travel-time flucutations are studied only for weakly inhomogeneous media.

Acetone and Water on TiO₂(110): H/D Exchange

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

Henderson, Michael A.

2005-04-12

Isotopic H/D exchange between coadsorbed acetone and water on the TiO?(110) surface was examined using temperature programmed desorption (TPD) as a function of coverage and two surface pretreatments (oxidation and reduction). Coadsorbed acetone and water interact repulsively on reduced TiO?(110) based on results from the companion paper to this study, with water exerting a greater influence in destabilizing acetone and acetone having only a nominal influence on water. Despite the repulsive interaction between these coadsorbates, about 0.02 ML of a 1 ML d6-acetone on the reduced surface exhibits H/D exchange with coadsorbed water, with the exchange occurring exclusively in themore » high temperature region of the d?-acetone TPD spectrum at {approx}340 K. The effect was confirmed with combinations of d?-acetone and D?O. The extent of exchange decreased on the reduced surface with water coverages above {approx}0.3 ML due to the ability of water to displace coadsorbed acetone from first layer sites to the multilayer. In contrast, the extent of exchange increased by a factor of 3 when the surface was pre-oxidized prior to coadsorption. In this case, there was no evidence for the negative influence of high water coverages on the extent of H/D exchange. Comparison of the TPD spectra from the exchange products (either d?- or d?-acetone depending on the coadsorption pairing) suggests that, in addition to the 340 K exchange process seen on the reduced surface, a second exchange process was observed on the oxidized surface at {approx}390 K. In both cases (oxidized and reduced), desorption of the H/D exchange products appeared to be reaction limited and to involve the influence of OH/OD groups (or water formed during recombinative desorption of OH/OD groups) instead of molecularly adsorbed water. The 340 K exchange process is assigned to reaction at step sites and the 390 K exchange process is attributed to the influence of oxygen adatoms deposited during surface oxidation. The H/D exchange mechanism likely involves an enolate or propenol surface intermediate formed transiently during the desorption of oxygen-stabilized acetone molecules.« less

EVIDENCE FOR THE CHROMOSOMAL REPLICONS AS UNITS OF SISTER CHROMATID EXCHANGES

EPA Science Inventory

Current hypotheses of sister chromatid exchange (SCE) formation postulate that sites of SCE induction are associated with active replicons or replicon clusters. We have applied the FCC-SCD technique to in vivo studies of mouse bone marrow cells that have been treated with cycloph...

75 FR 70924 - Office of the National Coordinator for Health Information Technology; HIT Policy Committee's...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-11-19

... Team, Enrollment, Governance, Adoption/ Certification, and Information Exchange workgroups. General... the electronic exchange and use of health information as is consistent with the Federal Health IT... site for additional information or revised schedules as it becomes available. Contact Person: Judy...

Identification of the Dimer Exchange Interface of the Bacterial DNA Damage Response Protein UmuD.

PubMed

Murison, David A; Timson, Rebecca C; Koleva, Bilyana N; Ordazzo, Michael; Beuning, Penny J

2017-09-12

The Escherichia coli SOS response, an induced DNA damage response pathway, confers survival on bacterial cells by providing accurate repair mechanisms as well as the potentially mutagenic pathway translesion synthesis (TLS). The umuD gene products are upregulated after DNA damage and play roles in both nonmutagenic and mutagenic aspects of the SOS response. Full-length UmuD is expressed as a homodimer of 139-amino-acid subunits, which eventually cleaves its N-terminal 24 amino acids to form UmuD'. The cleavage product UmuD' and UmuC form the Y-family polymerase DNA Pol V (UmuD' 2 C) capable of performing TLS. UmuD and UmuD' exist as homodimers, but their subunits can readily exchange to form UmuDD' heterodimers preferentially. Heterodimer formation is an essential step in the degradation pathway of UmuD'. The recognition sequence for ClpXP protease is located within the first 24 amino acids of full-length UmuD, and the partner of full-length UmuD, whether UmuD or UmuD', is degraded by ClpXP. To better understand the mechanism by which UmuD subunits exchange, we measured the kinetics of exchange of a number of fluorescently labeled single-cysteine UmuD variants as detected by Förster resonance energy transfer. Labeling sites near the dimer interface correlate with increased rates of exchange, indicating that weakening the dimer interface facilitates exchange, whereas labeling sites on the exterior decrease the rate of exchange. In most but not all cases, homodimer and heterodimer exchange exhibit similar rates, indicating that somewhat different molecular surfaces mediate homodimer exchange and heterodimer formation.

On the Structure-Property Relationships of Cation-Exchanged ZK-5 Zeolites for CO 2 Adsorption

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

Pham, Trong D.; Hudson, Matthew R.; Brown, Craig M.

2017-02-16

The CO 2 adsorption properties of cation-exchanged Li-, Na-, K-, and Mg-ZK-5 zeolites were correlated to the molecular structures determined by Rietveld refinements of synchrotron powder X-ray diffraction patterns. Li-, K-, and Na-ZK-5 all exhibited high isosteric heats of adsorption (Qst) at low CO 2 coverage, with Na-ZK-5 having the highest Qst (ca. 49 kJ mol -1). Mg2+ was located at the center of the zeolite hexagonal prism with the cation inaccessible to CO 2, leading to a much lower Qst (ca. 30 kJ mol-1) and lower overall uptake capacity. Multiple CO 2 adsorption sites were identified at a givenmore » CO 2 loading amount for all four cation-exchanged ZK-5 adsorbents. Site A at the flat eight-membered ring windows and site B/B* in the γ-cages were the primary adsorption sites in Li - and Na-ZK-5 zeolites. Relatively strong dual-cation adsorption sites contributed significantly to an enhanced electrostatic interaction for CO 2 in all ZK-5 samples. This interaction gives rise to a migration of Li + and Mg 2+ cations from their original locations at the center of the hexagonal prisms toward the α-cages, in which they interact more strongly with the adsorbed CO 2.« less

Plasticity in gas-exchange physiology of mature Scots pine and European larch drive short- and long-term adjustments to changes in water availability.

PubMed

Feichtinger, Linda M; Siegwolf, Rolf T W; Gessler, Arthur; Buchmann, Nina; Lévesque, Mathieu; Rigling, Andreas

2017-09-01

Adjustment mechanisms of trees to changes in soil-water availability over long periods are poorly understood, but crucial to improve estimates of forest development in a changing climate. We compared mature trees of Scots pine (Pinus sylvestris) and European larch (Larix decidua) growing along water-permeable channels (irrigated) and under natural conditions (control) at three sites in inner-Alpine dry valleys. At two sites, the irrigation had been stopped in the 1980s. We combined measurements of basal area increment (BAI), tree height and gas-exchange physiology (Δ 13 C) for the period 1970-2009. At one site, the Δ 13 C of irrigated pine trees was higher than that of the control in all years, while at the other sites, it differed in pine and larch only in years with dry climatic conditions. During the first decade after the sudden change in water availability, the BAI and Δ 13 C of originally irrigated pine and larch trees decreased instantly, but subsequently reached higher levels than those of the control by 2009 (15 years afterwards). We found a high plasticity in the gas-exchange physiology of pine and larch and site-specific responses to changes in water availability. Our study highlights the ability of trees to adjust to new conditions, thus showing high resilience. © 2017 John Wiley & Sons Ltd.

Quasi-Static Probabilistic Structural Analyses Process and Criteria

NASA Technical Reports Server (NTRS)

Goldberg, B.; Verderaime, V.

1999-01-01

Current deterministic structural methods are easily applied to substructures and components, and analysts have built great design insights and confidence in them over the years. However, deterministic methods cannot support systems risk analyses, and it was recently reported that deterministic treatment of statistical data is inconsistent with error propagation laws that can result in unevenly conservative structural predictions. Assuming non-nal distributions and using statistical data formats throughout prevailing stress deterministic processes lead to a safety factor in statistical format, which integrated into the safety index, provides a safety factor and first order reliability relationship. The embedded safety factor in the safety index expression allows a historically based risk to be determined and verified over a variety of quasi-static metallic substructures consistent with the traditional safety factor methods and NASA Std. 5001 criteria.

Effect of Uncertainty on Deterministic Runway Scheduling

NASA Technical Reports Server (NTRS)

Gupta, Gautam; Malik, Waqar; Jung, Yoon C.

2012-01-01

Active runway scheduling involves scheduling departures for takeoffs and arrivals for runway crossing subject to numerous constraints. This paper evaluates the effect of uncertainty on a deterministic runway scheduler. The evaluation is done against a first-come- first-serve scheme. In particular, the sequence from a deterministic scheduler is frozen and the times adjusted to satisfy all separation criteria; this approach is tested against FCFS. The comparison is done for both system performance (throughput and system delay) and predictability, and varying levels of congestion are considered. The modeling of uncertainty is done in two ways: as equal uncertainty in availability at the runway as for all aircraft, and as increasing uncertainty for later aircraft. Results indicate that the deterministic approach consistently performs better than first-come-first-serve in both system performance and predictability.

Numerical Approach to Spatial Deterministic-Stochastic Models Arising in Cell Biology.

PubMed

Schaff, James C; Gao, Fei; Li, Ye; Novak, Igor L; Slepchenko, Boris M

2016-12-01

Hybrid deterministic-stochastic methods provide an efficient alternative to a fully stochastic treatment of models which include components with disparate levels of stochasticity. However, general-purpose hybrid solvers for spatially resolved simulations of reaction-diffusion systems are not widely available. Here we describe fundamentals of a general-purpose spatial hybrid method. The method generates realizations of a spatially inhomogeneous hybrid system by appropriately integrating capabilities of a deterministic partial differential equation solver with a popular particle-based stochastic simulator, Smoldyn. Rigorous validation of the algorithm is detailed, using a simple model of calcium 'sparks' as a testbed. The solver is then applied to a deterministic-stochastic model of spontaneous emergence of cell polarity. The approach is general enough to be implemented within biologist-friendly software frameworks such as Virtual Cell.

El Niño Southern Oscillation (ENSO) Enhances CO2 Exchange Rates in Freshwater Marsh Ecosystems in the Florida Everglades

PubMed Central

Malone, Sparkle L.; Staudhammer, Christina L.; Oberbauer, Steven F.; Olivas, Paulo; Ryan, Michael G.; Schedlbauer, Jessica L.; Loescher, Henry W.; Starr, Gregory

2014-01-01

This research examines the relationships between El Niño Southern Oscillation (ENSO), water level, precipitation patterns and carbon dioxide (CO2) exchange rates in the freshwater wetland ecosystems of the Florida Everglades. Data was obtained over a 5-year study period (2009–2013) from two freshwater marsh sites located in Everglades National Park that differ in hydrology. At the short-hydroperiod site (Taylor Slough; TS) and the long-hydroperiod site (Shark River Slough; SRS) fluctuations in precipitation patterns occurred with changes in ENSO phase, suggesting that extreme ENSO phases alter Everglades hydrology which is known to have a substantial influence on ecosystem carbon dynamics. Variations in both ENSO phase and annual net CO2 exchange rates co-occurred with changes in wet and dry season length and intensity. Combined with site-specific seasonality in CO2 exchanges rates, El Niño and La Niña phases magnified season intensity and CO2 exchange rates at both sites. At TS, net CO2 uptake rates were higher in the dry season, whereas SRS had greater rates of carbon sequestration during the wet season. As La Niña phases were concurrent with drought years and extended dry seasons, TS became a greater sink for CO2 on an annual basis (−11 to −110 g CO2 m−2 yr−1) compared to El Niño and neutral years (−5 to −43.5 g CO2 m−2 yr−1). SRS was a small source for CO2 annually (1.81 to 80 g CO2 m−2 yr−1) except in one exceptionally wet year that was associated with an El Niño phase (−16 g CO2 m−2 yr−1). Considering that future climate predictions suggest a higher frequency and intensity in El Niño and La Niña phases, these results indicate that changes in extreme ENSO phases will significantly alter CO2 dynamics in the Florida Everglades. PMID:25521299

Efficient room-temperature source of polarized single photons

DOEpatents

Lukishova, Svetlana G.; Boyd, Robert W.; Stroud, Carlos R.

2007-08-07

An efficient technique for producing deterministically polarized single photons uses liquid-crystal hosts of either monomeric or oligomeric/polymeric form to preferentially align the single emitters for maximum excitation efficiency. Deterministic molecular alignment also provides deterministically polarized output photons; using planar-aligned cholesteric liquid crystal hosts as 1-D photonic-band-gap microcavities tunable to the emitter fluorescence band to increase source efficiency, using liquid crystal technology to prevent emitter bleaching. Emitters comprise soluble dyes, inorganic nanocrystals or trivalent rare-earth chelates.

Site-specific Seismic Hazard Assessment to Establish Elastic Design Properties for Oman Museum-Across Ages, Manah, Sultante of Oman

NASA Astrophysics Data System (ADS)

El Hussain, I. W.

2017-12-01

The current study provides a site specific deterministic seismic hazard assessment (DSHA) at the selected site for establishing the Oman Museum-Across Ages at Manah area, as a part of a comprehensive geotechnical and seismological plan to design the facilities accordingly. The DSHA first defines the seismic sources that might influence the site and assesses the maximum possible earthquake magnitude for each of them. By assuming each of these maximum earthquakes to occur at a location placing them at the closest distances to the site, the ground motion is predicted utilizing empirical ground motion prediction equations. The local site effects are performed by determining the fundamental frequency of the soft soil using HVSR technique and by estimating amplification spectra using the soil characteristics (mainly shear-wave velocity). Shear-wave velocity has been evaluated using the MASW technique. The maximum amplification value of 2.1 at spectral period 0.06 sec is observed at the ground surface, while the largest amplification value at the top of the conglomerate layer (at 5m depth) is 1.6 for a spectral period of 0.04 Sec. The maximum median 5% damped peak ground acceleration is found to be 0.263g at a spectral period of 0.1 sec. Keywords: DSHA; Site Effects; HVSR; MASW; PGA; Spectral Period

Evaluate the Relative Importance of Subsurface Lateral Energy Exchange to Ground Heat Flux and Energy Balance over the Heterogeneous Surface of a Sub-tropical Wetland

NASA Astrophysics Data System (ADS)

CUI, W.; Chui, T. F. M.

2016-12-01

Subsurface lateral water and energy exchanges are often ignored in methods involving a surface energy balance under the homogeneity assumption, which may affect the estimation of evapotranspiration over a heterogeneous surface. Wetlands, however, are heterogeneous with vegetated areas and open water, making it difficult to accurately measure and estimate evapotranspiration. This study estimated the subsurface lateral energy exchange between the reed bed and shallow open water of a wetland within Mai Po Nature Reserve in Hong Kong, and further discussed its relative importance to the ground heat flux and energy balance over the wetland surface. An array of water level and temperature sensors were installed in the reed bed and the adjacent water, together with an eddy covariance system. The results suggested that the lateral energy exchange was over 30% of ground heat flux for half of the monitoring period, and should therefore be accounted for during the measurement of ground heat flux. However, the lateral energy exchange could not explain the energy balance disclosure at the site, as the variation was in phase with the residual of energy budget during the summer but was out of phase during the winter. Furthermore, this study developed a convolution model to estimate the lateral energy exchange based on air temperature which is readily available at many sites worldwide. This study overall enhanced our understanding of the subsurface lateral energy exchange, and possibly our estimation of evapotranspiration in heterogeneous environment.

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

PubMed

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

2017-06-12

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

45 CFR 155.1405 - Enrollee satisfaction survey system.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 45 Public Welfare 1 2014-10-01 2014-10-01 false Enrollee satisfaction survey system. 155.1405... Quality Reporting Standards for Exchanges § 155.1405 Enrollee satisfaction survey system. The Exchange must prominently display results from the Enrollee Satisfaction Survey for each QHP on its Web site, in...

17 CFR 232.314 - Accommodation for certain securitizers of asset-backed securities.

Code of Federal Regulations, 2014 CFR

2014-04-01

... Securities Rulemaking Board's Internet Web site. [76 FR 4511, Jan. 26, 2011] XBRL-Related Documents ... 17 Commodity and Securities Exchanges 3 2014-04-01 2014-04-01 false Accommodation for certain securitizers of asset-backed securities. 232.314 Section 232.314 Commodity and Securities Exchanges SECURITIES...

17 CFR 232.314 - Accommodation for certain securitizers of asset-backed securities.

Code of Federal Regulations, 2012 CFR

2012-04-01

... Securities Rulemaking Board's Internet Web site. [76 FR 4511, Jan. 26, 2011] XBRL-Related Documents ... 17 Commodity and Securities Exchanges 2 2012-04-01 2012-04-01 false Accommodation for certain securitizers of asset-backed securities. 232.314 Section 232.314 Commodity and Securities Exchanges SECURITIES...

17 CFR 232.314 - Accommodation for certain securitizers of asset-backed securities.

Code of Federal Regulations, 2013 CFR

2013-04-01

... Securities Rulemaking Board's Internet Web site. [76 FR 4511, Jan. 26, 2011] XBRL-Related Documents ... 17 Commodity and Securities Exchanges 2 2013-04-01 2013-04-01 false Accommodation for certain securitizers of asset-backed securities. 232.314 Section 232.314 Commodity and Securities Exchanges SECURITIES...

17 CFR 232.314 - Accommodation for certain securitizers of asset-backed securities.

Code of Federal Regulations, 2011 CFR

2011-04-01

... Securities Rulemaking Board's Internet Web site. [76 FR 4511, Jan. 26, 2011] XBRL-Related Documents ... 17 Commodity and Securities Exchanges 2 2011-04-01 2011-04-01 false Accommodation for certain securitizers of asset-backed securities. 232.314 Section 232.314 Commodity and Securities Exchanges SECURITIES...

The Butterfly "Sight"--Using the Internet in Education.

ERIC Educational Resources Information Center

Seddon, Kathy; Baggott, Linda

1999-01-01

Describes an environmental project which involved the collection and exchange of data on butterflies, including information on climate and vegetation, to monitor their distribution. Schools in several European countries exchanged information via e-mail, and the resulting website has evolved into a site offering information, survey data, curriculum…

3D calcite heterostructures for dynamic and deformable mineralized matrices

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

Yi, Jaeseok; Wang, Yucai; Jiang, Yuanwen

Scales are rooted in soft tissues, and are regenerated by specialized cells. The realization of dynamic synthetic analogues with inorganic materials has been a significant challenge, because the abiological regeneration sites that could yield deterministic growth behavior are hard to form. Here we overcome this fundamental hurdle by constructing a mutable and deformable array of three-dimensional calcite heterostructures that are partially locked in silicone. Individual calcite crystals exhibit asymmetrical dumbbell shapes and are prepared by a parallel tectonic approach under ambient conditions. Furthermore, the silicone matrix immobilizes the epitaxial nucleation sites through self-templated cavities, which enables symmetry breaking in reactionmore » dynamics and scalable manipulation of the mineral ensembles. With this platform, we devise several mineral-enabled dynamic surfaces and interfaces. For example, we show that the induced growth of minerals yields localized inorganic adhesion for biological tissue and reversible focal encapsulation for sensitive components in flexible electronics.« less

Simulation of rockfalls triggered by earthquakes

USGS Publications Warehouse

Kobayashi, Y.; Harp, E.L.; Kagawa, T.

1990-01-01

A computer program to simulate the downslope movement of boulders in rolling or bouncing modes has been developed and applied to actual rockfalls triggered by the Mammoth Lakes, California, earthquake sequence in 1980 and the Central Idaho earthquake in 1983. In order to reproduce a movement mode where bouncing predominated, we introduced an artificial unevenness to the slope surface by adding a small random number to the interpolated value of the mid-points between the adjacent surveyed points. Three hundred simulations were computed for each site by changing the random number series, which determined distances and bouncing intervals. The movement of the boulders was, in general, rather erratic depending on the random numbers employed, and the results could not be seen as deterministic but stochastic. The closest agreement between calculated and actual movements was obtained at the site with the most detailed and accurate topographic measurements. ?? 1990 Springer-Verlag.

3D calcite heterostructures for dynamic and deformable mineralized matrices

DOE PAGES

Yi, Jaeseok; Wang, Yucai; Jiang, Yuanwen; ...

2017-09-11

Scales are rooted in soft tissues, and are regenerated by specialized cells. The realization of dynamic synthetic analogues with inorganic materials has been a significant challenge, because the abiological regeneration sites that could yield deterministic growth behavior are hard to form. Here we overcome this fundamental hurdle by constructing a mutable and deformable array of three-dimensional calcite heterostructures that are partially locked in silicone. Individual calcite crystals exhibit asymmetrical dumbbell shapes and are prepared by a parallel tectonic approach under ambient conditions. Furthermore, the silicone matrix immobilizes the epitaxial nucleation sites through self-templated cavities, which enables symmetry breaking in reactionmore » dynamics and scalable manipulation of the mineral ensembles. With this platform, we devise several mineral-enabled dynamic surfaces and interfaces. For example, we show that the induced growth of minerals yields localized inorganic adhesion for biological tissue and reversible focal encapsulation for sensitive components in flexible electronics.« less

The 2014 governors' races and health care: a campaign web site analysis.

PubMed

Scott, Kirstin W; Blendon, Robert J; Sommers, Benjamin D

2015-01-01

The November 2014 midterm election was the first election since key coverage provisions of the Affordable Care Act (ACA) were implemented, including the Medicaid expansion and creation of the health insurance exchanges. The pre-election variability in the states' implementation of these provisions coupled with the large number of states selecting their next governor made the election important at the state level. To better understand the role of health care in the recent gubernatorial elections, we analyzed health policy content presented by 71 candidates for governor on their campaign Web sites. Nearly 80% of all candidates discussed health policy on their Web site, including the subset of the 36 winning governors. The predominant focus of health policy content was on the ACA as a whole or its provisions. Medicaid was discussed more often by candidates in non-expansion states than those from expansion states. Based on the statements of winning governors, we expect serious consideration of the Medicaid expansion to occur in at least 4 states, whereas 2 states may make efforts to reverse course. Relatively few winning governors (33%) mentioned the exchanges. Only 1 expressed interest in switching from the federal exchange to a state exchange, which has particular relevance given the Supreme Court's pending decision on King v. Burwell that could invalidate tax credits on the federal exchange. The prominence of health care in the gubernatorial campaigns strengthens the likelihood that governors will play an influential role in the health system's future, especially as the ACA undergoes further federal debate. © The Author(s) 2015.

Continuous Remote Measurements of Atmospheric O2 Concentrations in Relation to Interannual Variations in Biological Production and Carbon Cycling in the Oceans

NASA Technical Reports Server (NTRS)

Keeling, Ralph F.; Campbell, J. A. (Technical Monitor)

2002-01-01

We successfully initiated a program to obtain continuous time series of atmospheric O2 concentrations at a semi-remote coastal site, in Trinidad, California. The installation, which was completed in September 1999, consists of a commercially-available O2 and CO2 analyzers interfaced to a custom gas handling system and housed in a dedicated building at the Trinidad site. Ultimately, the data from this site are expected to provide constraints, complementing satellite data, on variations in ocean productivity and carbon exchange on annual and interannual time scales, in the context of human-induced changes in global climate and other perturbations. The existing time-series, of limited duration, have been used in support of studies of the O2/CO2 exchange from a wild fire (which fortuitously occurred nearby in October 1999) and to quantify air-sea N2O and O2 exchanges related to coastal upwelling events. More generally, the project demonstrates the feasibility of obtaining semi-continuous O2 time series at moderate cost from strategic locations globally.

Effects of urban density on carbon dioxide exchanges: Observations of dense urban, suburban and woodland areas of southern England.

PubMed

Ward, H C; Kotthaus, S; Grimmond, C S B; Bjorkegren, A; Wilkinson, M; Morrison, W T J; Evans, J G; Morison, J I L; Iamarino, M

2015-03-01

Anthropogenic and biogenic controls on the surface-atmosphere exchange of CO2 are explored for three different environments. Similarities are seen between suburban and woodland sites during summer, when photosynthesis and respiration determine the diurnal pattern of the CO2 flux. In winter, emissions from human activities dominate urban and suburban fluxes; building emissions increase during cold weather, while traffic is a major component of CO2 emissions all year round. Observed CO2 fluxes reflect diurnal traffic patterns (busy throughout the day (urban); rush-hour peaks (suburban)) and vary between working days and non-working days, except at the woodland site. Suburban vegetation offsets some anthropogenic emissions, but 24-h CO2 fluxes are usually positive even during summer. Observations are compared to estimated emissions from simple models and inventories. Annual CO2 exchanges are significantly different between sites, demonstrating the impacts of increasing urban density (and decreasing vegetation fraction) on the CO2 flux to the atmosphere. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

A test of the optimality approach to modelling canopy properties and CO2 uptake by natural vegetation.

PubMed

Schymanski, Stanislaus J; Roderick, Michael L; Sivapalan, Murugesu; Hutley, Lindsay B; Beringer, Jason

2007-12-01

Photosynthesis provides plants with their main building material, carbohydrates, and with the energy necessary to thrive and prosper in their environment. We expect, therefore, that natural vegetation would evolve optimally to maximize its net carbon profit (NCP), the difference between carbon acquired by photosynthesis and carbon spent on maintenance of the organs involved in its uptake. We modelled N(CP) for an optimal vegetation for a site in the wet-dry tropics of north Australia based on this hypothesis and on an ecophysiological gas exchange and photosynthesis model, and compared the modelled CO2 fluxes and canopy properties with observations from the site. The comparison gives insights into theoretical and real controls on gas exchange and canopy structure, and supports the optimality approach for the modelling of gas exchange of natural vegetation. The main advantage of the optimality approach we adopt is that no assumptions about the particular vegetation of a site are required, making it a very powerful tool for predicting vegetation response to long-term climate or land use change.

Evaluating Groundwater-Surface Water Exchange With A New Point Measurement Device

NASA Astrophysics Data System (ADS)

Cremeans, M.; Devlin, J. F.; McKnight, U. S.; Bjerg, P. L.; Nairn, R.

2017-12-01

Estimating exchange at the groundwater-surface water interface (GWSWI) could be crucial to designing effective remediation measures. The StreamBed Point Velocity Probe (SBPVP), a new point measurement device, measures in situ groundwater velocities at the GWSWI without reliance on estimations of hydraulic conductivity, porosity, or gradient information. The SBPVP has been applied to natural and engineered interfaces at contaminated sites, a stream and vertical flow bioreactor, respectively. Velocity data ( 18 cm/day to 2600 cm/day in the stream, and 54 cm/day to 161 cm/day in the bioreactor) were used to determine water and solute fluxes (as well as potential contaminant attenuation rates) at these sites. Analysis of the spatial distribution of velocity values in a streambed illustrated the extremely heterogeneous nature of that environment, while the engineered system was found to be relatively homogeneous by comparison. Combining SBPVP velocity data with geochemical data supports the calculation of mass discharges and mass removal rates. The wide range of exchange rate variability (within and between these sites) suggests that detailed characterization of the GWSWI interface is useful information for remediation in both cases.

Scaling up of Carbon Exchange Dynamics from AmeriFlux Sites to a Super-Region in the Eastern United States

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

Hans Peter Schmid; Craig Wayson

The primary objective of this project was to evaluate carbon exchange dynamics across a region of North America between the Great Plains and the East Coast. This region contains about 40 active carbon cycle research (AmeriFlux) sites in a variety of climatic and landuse settings, from upland forest to urban development. The core research involved a scaling strategy that uses measured fluxes of CO{sub 2}, energy, water, and other biophysical and biometric parameters to train and calibrate surface-vegetation-atmosphere models, in conjunction with satellite (MODIS) derived drivers. To achieve matching of measured and modeled fluxes, the ecosystem parameters of the modelsmore » will be adjusted to the dynamically variable flux-tower footprints following Schmid (1997). High-resolution vegetation index variations around the flux sites have been derived from Landsat data for this purpose. The calibrated models are being used in conjunction with MODIS data, atmospheric re-analysis data, and digital land-cover databases to derive ecosystem exchange fluxes over the study domain.« less

B-Site Metal Cation Exchange in Halide Perovskites

DOE PAGES

Eperon, Giles E.; Ginger, David S.

2017-05-02

Here, we demonstrate exchange of the B-site metal cation in hybrid organic-inorganic halide perovskite thin films. We exchange tin in formamidinium tin triiodide (NH 2) 2SnI 3' or FASnI 3) with lead at controllable levels, forming (CH- (NH 2) 2SnI xPB 1-xI 3 alloys with partial substitution and fully converting the film to CH(NH 2) 2PbI 3 with a large excess of Pb 2+. We observe no evidence for phase segregation or bilayered films, indicating that conversion is uniform throughout the film. This facile technique provides a new way to control composition independently from the crystallization processes, allowing formation ofmore » the black phase of CH(NH 2) 2PbI 3 at much lower temperatures than those previously reported while also opening the door to new morphology-composition combinations. The surprising observation that the B-site metal cations are mobile may also provide insight into the nature of transient processes in these materials, suggesting that they may be involved in ionic conduction, and will be a critical consideration for long-term stability.« less

B-Site Metal Cation Exchange in Halide Perovskites

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

Eperon, Giles E.; Ginger, David S.

Here, we demonstrate exchange of the B-site metal cation in hybrid organic-inorganic halide perovskite thin films. We exchange tin in formamidinium tin triiodide (NH 2) 2SnI 3' or FASnI 3) with lead at controllable levels, forming (CH- (NH 2) 2SnI xPB 1-xI 3 alloys with partial substitution and fully converting the film to CH(NH 2) 2PbI 3 with a large excess of Pb 2+. We observe no evidence for phase segregation or bilayered films, indicating that conversion is uniform throughout the film. This facile technique provides a new way to control composition independently from the crystallization processes, allowing formation ofmore » the black phase of CH(NH 2) 2PbI 3 at much lower temperatures than those previously reported while also opening the door to new morphology-composition combinations. The surprising observation that the B-site metal cations are mobile may also provide insight into the nature of transient processes in these materials, suggesting that they may be involved in ionic conduction, and will be a critical consideration for long-term stability.« less

Scaling theory for the quasideterministic limit of continuous bifurcations.

PubMed

Kessler, David A; Shnerb, Nadav M

2012-05-01

Deterministic rate equations are widely used in the study of stochastic, interacting particles systems. This approach assumes that the inherent noise, associated with the discreteness of the elementary constituents, may be neglected when the number of particles N is large. Accordingly, it fails close to the extinction transition, when the amplitude of stochastic fluctuations is comparable with the size of the population. Here we present a general scaling theory of the transition regime for spatially extended systems. We demonstrate this through a detailed study of two fundamental models for out-of-equilibrium phase transitions: the Susceptible-Infected-Susceptible (SIS) that belongs to the directed percolation equivalence class and the Susceptible-Infected-Recovered (SIR) model belonging to the dynamic percolation class. Implementing the Ginzburg criteria we show that the width of the fluctuation-dominated region scales like N^{-κ}, where N is the number of individuals per site and κ=2/(d_{u}-d), d_{u} is the upper critical dimension. Other exponents that control the approach to the deterministic limit are shown to be calculable once κ is known. The theory is extended to include the corrections to the front velocity above the transition. It is supported by the results of extensive numerical simulations for systems of various dimensionalities.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

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

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Engineering Translational Activators with CRISPR-Cas System.

PubMed

Du, Pei; Miao, Chensi; Lou, Qiuli; Wang, Zefeng; Lou, Chunbo

2016-01-15

RNA parts often serve as critical components in genetic engineering. Here we report a design of translational activators which is composed of an RNA endoribonuclease (Csy4) and two exchangeable RNA modules. Csy4, a member of Cas endoribonuclease, cleaves at a specific recognition site; this cleavage releases a cis-repressive RNA module (crRNA) from the masked ribosome binding site (RBS), which subsequently allows the downstream translation initiation. Unlike small RNA as a translational activator, the endoribonuclease-based activator is able to efficiently unfold the perfect RBS-crRNA pairing. As an exchangeable module, the crRNA-RBS duplex was forwardly and reversely engineered to modulate the dynamic range of translational activity. We further showed that Csy4 and its recognition site, together as a module, can also be replaced by orthogonal endoribonuclease-recognition site homologues. These modularly structured, high-performance translational activators would endow the programming of gene expression in the translation level with higher feasibility.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

DOE PAGES

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; ...

2017-10-06

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonitemore » edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites (‘spillover’ effect).« less

Nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates

DOEpatents

Melechko, Anatoli V [Oak Ridge, TN; McKnight, Timothy E [Greenback, TN; Guillorn, Michael A [Ithaca, NY; Ilic, Bojan [Ithaca, NY; Merkulov, Vladimir I [Knoxville, TN; Doktycz, Mitchel J [Knoxville, TN; Lowndes, Douglas H [Knoxville, TN; Simpson, Michael L [Knoxville, TN

2011-08-23

Methods, manufactures, machines and compositions are described for nanotransfer and nanoreplication using deterministically grown sacrificial nanotemplates. An apparatus, includes a substrate and a nanoreplicant structure coupled to a surface of the substrate.

Numerical Approach to Spatial Deterministic-Stochastic Models Arising in Cell Biology

PubMed Central

Gao, Fei; Li, Ye; Novak, Igor L.; Slepchenko, Boris M.

2016-01-01

Hybrid deterministic-stochastic methods provide an efficient alternative to a fully stochastic treatment of models which include components with disparate levels of stochasticity. However, general-purpose hybrid solvers for spatially resolved simulations of reaction-diffusion systems are not widely available. Here we describe fundamentals of a general-purpose spatial hybrid method. The method generates realizations of a spatially inhomogeneous hybrid system by appropriately integrating capabilities of a deterministic partial differential equation solver with a popular particle-based stochastic simulator, Smoldyn. Rigorous validation of the algorithm is detailed, using a simple model of calcium ‘sparks’ as a testbed. The solver is then applied to a deterministic-stochastic model of spontaneous emergence of cell polarity. The approach is general enough to be implemented within biologist-friendly software frameworks such as Virtual Cell. PMID:27959915

Stochasticity and determinism in models of hematopoiesis.

PubMed

Kimmel, Marek

2014-01-01

This chapter represents a novel view of modeling in hematopoiesis, synthesizing both deterministic and stochastic approaches. Whereas the stochastic models work in situations where chance dominates, for example when the number of cells is small, or under random mutations, the deterministic models are more important for large-scale, normal hematopoiesis. New types of models are on the horizon. These models attempt to account for distributed environments such as hematopoietic niches and their impact on dynamics. Mixed effects of such structures and chance events are largely unknown and constitute both a challenge and promise for modeling. Our discussion is presented under the separate headings of deterministic and stochastic modeling; however, the connections between both are frequently mentioned. Four case studies are included to elucidate important examples. We also include a primer of deterministic and stochastic dynamics for the reader's use.

Sensitivity of mesquite shrubland CO2 exchange to precipitation in contrasting landscape settings.

PubMed

Potts, Daniel L; Scott, Russell L; Cable, Jessica M; Huxman, Travis E; Williams, David G

2008-10-01

In semiarid ecosystems, physiography (landscape setting) may interact with woody-plant and soil microbe communities to constrain seasonal exchanges of material and energy at the ecosystem scale. In an upland and riparian shrubland, we examined the seasonally dynamic linkage between ecosystem CO2 exchange, woody-plant water status and photosynthesis, and soil respiration responses to summer rainfall. At each site, we compared tower-based measurements of net ecosystem CO2 exchange (NEE) with ecophysiological measurements among velvet mesquite (Prosopis velutina Woot.) in three size classes and soil respiration in sub-canopy and inter-canopy micro-sites. Monsoonal rainfall influenced a greater shift in the magnitude of ecosystem CO2 assimilation in the upland shrubland than in the riparian shrubland. Mesquite water status and photosynthetic gas exchange were closely linked to the onset of the North American monsoon in the upland shrubland. In contrast, the presence of shallow alluvial groundwater in the riparian shrubland caused larger size classes of mesquite to be physiologically insensitive to monsoonal rains. In both shrublands, soil respiration was greatest beneath mesquite canopies and was coupled to shallow soil moisture abundance. Physiography, through its constraint on the physiological sensitivity of deeply rooted woody plants, may interact with plant-mediated rates of soil respiration to affect the sensitivity of semiarid-ecosystem carbon exchange in response to episodic rainfall.

Groundwater transport of strontium 90 in a glacial outwash environment

USGS Publications Warehouse

Kipp, Kenneth L.; Stollenwerk, Kenneth G.; Grove, David B.

1986-01-01

As part of the investigation of groundwater contamination at a uranium-scrap recovery plant at Wood River Junction, Rhode Island, laboratory experiments led to the development of a model for predicting the transport of strontium 90 in glacial outwash sediments based on an approximate mechanism for ion exchange. The multicomponent system was simplified to two components by regarding all exchangeable cations other than strontium 90 as a single component. The binary ion-exchange parameter was a function of the variable, total ion concentration. A one-dimensional solute transport model was formulated to evaluate the time necessary for natural groundwater flow to remove the strontium 90 contamination plume from the groundwater system to the Pawcatuck River. The finite difference transport equations were solved sequentially for total ion concentrations, then strontium 90 concentrations. Clay-free quartz and feldspar sands at the study site have little potential for strontium 90 sorption, and high calcium, magnesium, and sodium concentrations compete for the few ion exchange sites. As the total ion concentration plume moves out of the system, ion exchange of strontium 90 increases, reducing the strontium 90 concentration in the groundwater. Cleanout times predicted using the binary ion exchange mechanism were about two thirds of those predicted using a constant distribution coefficient. It is suggested that this type of model can simulate solute transport more realistically in many groundwater systems where the total ion concentration is not constant.

TROSY-based z-exchange spectroscopy: application to the determination of the activation energy for intermolecular protein translocation between specific sites on different DNA molecules.

PubMed

Sahu, Debashish; Clore, G Marius; Iwahara, Junji

2007-10-31

A two-dimensional TROSY-based z-exchange 1H-15N correlation experiment for the quantitative analysis of kinetic processes in the slow exchange regime is presented. The pulse scheme converts the product operator terms Nz into 2NzHz and 2NzHz into -Nz in the middle of the z-mixing period, thereby suppressing the buildup of spurious semi-TROSY peaks arising from the different relaxation rates for the Nz and 2NzHz terms and simplifying the behavior of longitudinal magnetization for an exchanging system during the mixing period. Theoretical considerations and experimental data demonstrate that the TROSY-based z-exchange experiment permits quantitative determination of rate constants using the same procedure as that for the conventional non-TROSY 15Nz-exchange experiment. Line narrowing as a consequence of the use of the TROSY principle makes the method particularly suitable for kinetic studies at low temperature, thereby permitting activation energies to be extracted from data acquired over a wider temperature range. We applied this method to the investigation of the process whereby the HoxD9 homeodomain translocates between specific target sites on different DNA molecules via a direct transfer mechanism without going through the intermediary of free protein. The activation enthalpy for intermolecular translocation was determined to be 17 kcal/mol.

Cation-exchanged zeolites for the selective oxidation of methane to methanol

DOE PAGES

Kulkarni, Ambarish R.; Zhao, Zhi-Jian; Siahrostami, Samira; ...

2017-10-19

Motivated by the increasing availability of cheap natural gas resources, considerable experimental and computational research efforts have focused on identifying selective catalysts for the direct conversion of methane to methanol. One promising class of catalysts are cation-exchanged zeolites, which have steadily increased in popularity over the past decade. Here, in this article, we first present a broad overview of this field from a conceptual perspective, and highlight the role of theory in developing a molecular-level understanding of the reaction. Next, by performing and analyzing a large database of density functional theory (DFT) calculations for a wide range of transition metalmore » cations, zeolite topologies and active site motifs, we present a unifying picture of the methane activation process in terms of active site stability, C–H bond activation and methanol extraction. Based on the trade-offs of active site stability and reactivity, we propose a framework for identifying new, promising active site motifs in these systems. Further, we show that the high methanol selectivity arises due to the strong binding nature of the C–H activation products. Lastly, using the atomistic and mechanistic insight obtained from these analyses, we summarize the key challenges and future strategies for improving the performance of cation-exchanged zeolites for this industrially relevant conversion.« less

Cation-exchanged zeolites for the selective oxidation of methane to methanol

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

Kulkarni, Ambarish R.; Zhao, Zhi-Jian; Siahrostami, Samira

Motivated by the increasing availability of cheap natural gas resources, considerable experimental and computational research efforts have focused on identifying selective catalysts for the direct conversion of methane to methanol. One promising class of catalysts are cation-exchanged zeolites, which have steadily increased in popularity over the past decade. Here, in this article, we first present a broad overview of this field from a conceptual perspective, and highlight the role of theory in developing a molecular-level understanding of the reaction. Next, by performing and analyzing a large database of density functional theory (DFT) calculations for a wide range of transition metalmore » cations, zeolite topologies and active site motifs, we present a unifying picture of the methane activation process in terms of active site stability, C–H bond activation and methanol extraction. Based on the trade-offs of active site stability and reactivity, we propose a framework for identifying new, promising active site motifs in these systems. Further, we show that the high methanol selectivity arises due to the strong binding nature of the C–H activation products. Lastly, using the atomistic and mechanistic insight obtained from these analyses, we summarize the key challenges and future strategies for improving the performance of cation-exchanged zeolites for this industrially relevant conversion.« less

Predicting coexistence of plants subject to a tolerance-competition trade-off.

PubMed

Haegeman, Bart; Sari, Tewfik; Etienne, Rampal S

2014-06-01

Ecological trade-offs between species are often invoked to explain species coexistence in ecological communities. However, few mathematical models have been proposed for which coexistence conditions can be characterized explicitly in terms of a trade-off. Here we present a model of a plant community which allows such a characterization. In the model plant species compete for sites where each site has a fixed stress condition. Species differ both in stress tolerance and competitive ability. Stress tolerance is quantified as the fraction of sites with stress conditions low enough to allow establishment. Competitive ability is quantified as the propensity to win the competition for empty sites. We derive the deterministic, discrete-time dynamical system for the species abundances. We prove the conditions under which plant species can coexist in a stable equilibrium. We show that the coexistence conditions can be characterized graphically, clearly illustrating the trade-off between stress tolerance and competitive ability. We compare our model with a recently proposed, continuous-time dynamical system for a tolerance-fecundity trade-off in plant communities, and we show that this model is a special case of the continuous-time version of our model.

Dynamics of pollutant discharge in combined sewer systems during rain events: chance or determinism?

PubMed

Hannouche, A; Chebbo, G; Joannis, C

2014-01-01

A large database of continuous flow and turbidity measurements cumulating data on hundreds of rain events and dry weather days from two sites in Paris (called Quais and Clichy) and one in Lyon (called Ecully) is presented. This database is used to characterize and compare the behaviour of the three sites at the inter-events scale. The analysis is probed through three various variables: total volumes and total suspended solids (TSS) masses and concentrations during both wet and dry weather periods in addition to the contributions of diverse-origin sources to event flow volume and TSS load values. The results obtained confirm the previous findings regarding the spatial consistency of TSS fluxes and concentrations between both sites in Paris having similar land uses. Moreover, masses and concentrations are proven to be correlated between Parisian sites in a way that implies the possibility of some deterministic processes being reproducible from one catchment to another for a particular rain event. The results also demonstrate the importance of the contribution of wastewater and sewer deposits to the total events' loads and show that such contributions are not specific to Paris sewer networks.

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.

Failed rib region prediction in a human body model during crash events with precrash braking.

PubMed

Guleyupoglu, B; Koya, B; Barnard, R; Gayzik, F S

2018-02-28

The objective of this study is 2-fold. We used a validated human body finite element model to study the predicted chest injury (focusing on rib fracture as a function of element strain) based on varying levels of simulated precrash braking. Furthermore, we compare deterministic and probabilistic methods of rib injury prediction in the computational model. The Global Human Body Models Consortium (GHBMC) M50-O model was gravity settled in the driver position of a generic interior equipped with an advanced 3-point belt and airbag. Twelve cases were investigated with permutations for failure, precrash braking system, and crash severity. The severities used were median (17 kph), severe (34 kph), and New Car Assessment Program (NCAP; 56.4 kph). Cases with failure enabled removed rib cortical bone elements once 1.8% effective plastic strain was exceeded. Alternatively, a probabilistic framework found in the literature was used to predict rib failure. Both the probabilistic and deterministic methods take into consideration location (anterior, lateral, and posterior). The deterministic method is based on a rubric that defines failed rib regions dependent on a threshold for contiguous failed elements. The probabilistic method depends on age-based strain and failure functions. Kinematics between both methods were similar (peak max deviation: ΔX head = 17 mm; ΔZ head = 4 mm; ΔX thorax = 5 mm; ΔZ thorax = 1 mm). Seat belt forces at the time of probabilistic failed region initiation were lower than those at deterministic failed region initiation. The probabilistic method for rib fracture predicted more failed regions in the rib (an analog for fracture) than the deterministic method in all but 1 case where they were equal. The failed region patterns between models are similar; however, there are differences that arise due to stress reduced from element elimination that cause probabilistic failed regions to continue to rise after no deterministic failed region would be predicted. Both the probabilistic and deterministic methods indicate similar trends with regards to the effect of precrash braking; however, there are tradeoffs. The deterministic failed region method is more spatially sensitive to failure and is more sensitive to belt loads. The probabilistic failed region method allows for increased capability in postprocessing with respect to age. The probabilistic failed region method predicted more failed regions than the deterministic failed region method due to force distribution differences.

Fitness cost implications of phiC31-mediated site-specific integrations in target-site strains of the Mexican fruit fly, Anastrepha ludens (Diptera: Tephritidae)

USDA-ARS?s Scientific Manuscript database

Site-specific recombination technologies are powerful new tools for the manipulation of genomic DNA in insects that can improve transgenesis strategies such as targeting transgene insertions, allowing transgene cassette exchange and DNA mobilization for transgene stabilization. However, understandin...

Shielding property for thermal equilibrium states in the quantum Ising model

NASA Astrophysics Data System (ADS)

Móller, N. S.; de Paula, A. L.; Drumond, R. C.

2018-03-01

We show that Gibbs states of nonhomogeneous transverse Ising chains satisfy a shielding property. Namely, whatever the fields on each spin and exchange couplings between neighboring spins are, if the field in one particular site is null, then the reduced states of the subchains to the right and to the left of this site are exactly the Gibbs states of each subchain alone. Therefore, even if there is a strong exchange coupling between the extremal sites of each subchain, the Gibbs states of the each subchain behave as if there is no interaction between them. In general, if a lattice can be divided into two disconnected regions separated by an interface of sites with zero applied field, then we can guarantee a similar result only if the surface contains a single site. Already for an interface with two sites we show an example where the property does not hold. When it holds, however, we show that if a perturbation of the Hamiltonian parameters is done in one side of the lattice, then the other side is completely unchanged, with regard to both its equilibrium state and dynamics.

Strategies for Obtaining Obsidian in Pre-European Contact Era New Zealand

PubMed Central

McCoy, Mark D.; Carpenter, Jonathan

2014-01-01

Archaeological evidence of people's choices regarding how they supply themselves with obsidian through direct access and different types of exchanges gives us insight in to mobility, social networks, and property rights in the distant past. Here we use collections of obsidian artefacts that date to a period of endemic warfare among Maori during New Zealand's Late Period (1500–1769 A.D.) to determine what strategies people engaged in to obtain obsidian, namely (1) collecting raw material directly from a natural source, (2) informal trade and exchange, and (3) formal trade and exchange. These deposits represent a good cross-section of Late Period archaeology, including primary working of raw material at a natural source (Helena Bay), undefended sites where people discarded rubbish and worked obsidian (Bream Head), and a heavily fortified site (Mt. Wellington). We find that most of the obsidian described here was likely obtained directly from natural sources, especially those located on off-shore islands within about 60–70 km of sites. A smaller amount comes from blocks of material transported from an off-shore island a greater distance away, called Mayor Island, in a formal trade and exchange network. This study demonstrates the value of conducting tandem lithic technology and geochemical sourcing studies to understand how people create and maintain social networks during periods of warfare. PMID:24416213

The effect of positioning cations on acidity and stability of the framework structure of Y zeolite

PubMed Central

Deng, Changshun; Zhang, Junji; Dong, Lihui; Huang, Meina; Bin Li; Jin, Guangzhou; Gao, Junbin; Zhang, Feiyue; Fan, Minguang; Zhang, Luoming; Gong, Yanjun

2016-01-01

The investigation on the modification of NaY zeolite on LaHY and AEHY (AE refers Ca and Sr and the molar ratio of Ca and Sr is 1:1) zeolites was proformed by XRD, N2-physisorption (BET), XRF, XPS, NH3-TPD, Py-IR, hydrothermal stability, and catalytic cracking test. These results indicate that HY zeolite with ultra low content Na can be obtained from NaY zeolite through four exchange four calcination method. The positioning capability of La3+ in sodalite cage is much better than that of AE2+ and about 12 La3+ can be well coordinated in sodalite cages of one unit cell of Y zeolite. Appropriate acid amount and strength favor the formation of propylene and La3+ is more suitable for the catalytic cracking of cyclohexane than that of AE2+. Our results not only elaborate the variation of the strong and weak acid sites as well as the Brönsted and Lewis acid sites with the change of exchanged ion content but also explore the influence of hydrothermal aging of LaHY and AEHY zeolites and find the optimum ion exchange content for the most reserved acid sites. At last, the coordination state and stabilization of ion exchanged Y zeolites were discussed in detail. PMID:26987306

The Skogaryd Research Site - Integration of terrestrial and freshwater greenhouse gas sources and sinks

NASA Astrophysics Data System (ADS)

Klemedtsson, L.

2012-04-01

Forests play an important role in the global carbon (C) cycle, and management as well as climate can cause major effects on the balance of C between the atmosphere and the plant/soil system. With regard to our commitments to the Kyoto and post-Kyoto actions on climate change, we need reliable predictions on how this balance is affected by management and climate. In 2006 the Skogaryd Research Forest was established in the southwest of Sweden (58°23'N, 12°09'E). The overall goal is to quantify net greenhouse gas (GHG) fluxes from drained spruce forest soils, by determining the individual fluxes and pools of C and nitrogen and elucidating their connection to site fertility, drainage status and abiotic parameters. The generated data will be used in GHG models, for model validations and ultimately emissions predictions. During 2006-2009 the research has focused on two sites, mineral and organic soils, both dominated by Norway spruce (Picea abies). Both sites are drained fertile soils but with different land-use history that have affected their physical properties. Measurements include: net ecosystem exchange of CO2, shoot photosynthesis and respiration at different locations within the canopy, stem respiration, emissions of N2O and CH4 using manual chambers, soil respiration with automatic chambers including a trenching experiment where root, ectomycorrhizal, and heterotrophic respiration are separated, fine root production using minirhizotrons, and ectomycorrhizal mycelia production. The organic site also includes a wood ash fertilization experiment. From 2010 the research has been expanded by the project Landscape Greenhouse Gas Exchange (LAGGE) to the whole watershed, from the pristine mire system via streams, riparian zones, forests, to lakes and the subsequent exchange between the atmosphere and surface waters. The current accounting of forests as carbon sinks has relied on measurements of vertical carbon dioxide (CO2) exchange between vegetation and the atmosphere. The budgets have ignored dissolved carbon (C) and nitrogen (N) transport in water to streams and lakes and the subsequent exchange between the atmosphere and surface waters. Aquatic habitats can be significant net sources of CO2 and methane (CH4) and potential hot spots for N2O release, all important for natural greenhouse gas (GHG) emissions. Inland waters need to be included in the C and GHG balances for terrestrial landscapes. This project aims to quantify GHG balances at the landscape scale in forested regions that include land-atmosphere, land-water, and water-atmosphere exchange of CO2, CH4 and N2O. Different terrestrial and aquatic ecosystems will be linked holistically, using site specific techniques at different scales, from aircraft (km2) to chambers (m2) to develop integrated models that can be used to quantify net GHG flux for management strategies. The LAGGE project involves six Swedish universities and site is open for more cooperations.

Nonlinear waves and instabilities leading to secondary reconnection in reconnection outflows

NASA Astrophysics Data System (ADS)

Lapenta, Giovanni; Pucci, Francesco; Olshevsky, Vyacheslav; Servidio, Sergio; Sorriso-Valvo, Luca; Newman, David L.; Goldman, Martin V.

2018-02-01

Reconnection outflows have been under intense recent scrutiny, from in situ observations and from simulations. These regions are host to a variety of instabilities and intense energy exchanges, often even superior to the main reconnection site. We report here a number of results drawn from an investigation of simulations. First, the outflows are observed to become unstable to drift instabilities. Second, these instabilities lead to the formation of secondary reconnection sites. Third, the secondary processes are responsible for large energy exchanges and particle energization. Finally, the particle distribution function are modified to become non-Maxwellian and include multiple interpenetrating populations.

Pro Free Will Priming Enhances “Risk-Taking” Behavior in the Iowa Gambling Task, but Not in the Balloon Analogue Risk Task: Two Independent Priming Studies

PubMed Central

Schrag, Yann; Tremea, Alessandro; Lagger, Cyril; Ohana, Noé; Mohr, Christine

2016-01-01

Studies indicated that people behave less responsibly after exposure to information containing deterministic statements as compared to free will statements or neutral statements. Thus, deterministic primes should lead to enhanced risk-taking behavior. We tested this prediction in two studies with healthy participants. In experiment 1, we tested 144 students (24 men) in the laboratory using the Iowa Gambling Task. In experiment 2, we tested 274 participants (104 men) online using the Balloon Analogue Risk Task. In the Iowa Gambling Task, the free will priming condition resulted in more risky decisions than both the deterministic and neutral priming conditions. We observed no priming effects on risk-taking behavior in the Balloon Analogue Risk Task. To explain these unpredicted findings, we consider the somatic marker hypothesis, a gain frequency approach as well as attention to gains and / or inattention to losses. In addition, we highlight the necessity to consider both pro free will and deterministic priming conditions in future studies. Importantly, our and previous results indicate that the effects of pro free will and deterministic priming do not oppose each other on a frequently assumed continuum. PMID:27018854

Pro Free Will Priming Enhances "Risk-Taking" Behavior in the Iowa Gambling Task, but Not in the Balloon Analogue Risk Task: Two Independent Priming Studies.

PubMed

Schrag, Yann; Tremea, Alessandro; Lagger, Cyril; Ohana, Noé; Mohr, Christine

2016-01-01

Studies indicated that people behave less responsibly after exposure to information containing deterministic statements as compared to free will statements or neutral statements. Thus, deterministic primes should lead to enhanced risk-taking behavior. We tested this prediction in two studies with healthy participants. In experiment 1, we tested 144 students (24 men) in the laboratory using the Iowa Gambling Task. In experiment 2, we tested 274 participants (104 men) online using the Balloon Analogue Risk Task. In the Iowa Gambling Task, the free will priming condition resulted in more risky decisions than both the deterministic and neutral priming conditions. We observed no priming effects on risk-taking behavior in the Balloon Analogue Risk Task. To explain these unpredicted findings, we consider the somatic marker hypothesis, a gain frequency approach as well as attention to gains and / or inattention to losses. In addition, we highlight the necessity to consider both pro free will and deterministic priming conditions in future studies. Importantly, our and previous results indicate that the effects of pro free will and deterministic priming do not oppose each other on a frequently assumed continuum.

Does vapor pressure deficit drive the seasonality of δ 13 C of the net land-atmosphere CO 2 exchange across the United States?: The Influence of VPD on δ 13 C of NEE

DOE PAGES

Raczka, B.; Biraud, S. C.; Ehleringer, J. R.; ...

2017-08-10

The seasonal pattern of the carbon isotope content (δ 13C) of atmospheric CO 2 depends on local and nonlocal land-atmosphere exchange and atmospheric transport. Previous studies suggested that the δ13C of the net land-atmosphere CO 2 flux (δsource) varies seasonally as stomatal conductance of plants responds to vapor pressure deficit of air (VPD). We studied the variation of δ source at seven sites across the United States representing forests, grasslands, and an urban center. Using a two-part mixing model, we calculated the seasonal δsource for each site after removing background influence and, when possible, removing δ 13C variation of nonlocalmore » sources. Compared to previous analyses, we found a reduced seasonal (March–September) variation in δ source at the forest sites (0.5‰variation). We did not find a consistent seasonal relationship between VPD and δ source across forest (or other) sites, providing evidence that stomatal response to VPD was not the cause of the global, coherent seasonal pattern in δsource. In contrast to the forest sites, grassland and urban sites had a larger seasonal variation in δ source (5‰) dominated by seasonal transitions in C 3/C 4 grass productivity and in fossil fuel emissions, respectively. Our findings were sensitive to the location used to account for atmospheric background variation within the mixing model method that determined δsource. Special consideration should be given to background location depending on whether the intent is to understand site level dynamics or regional scale impacts of land-atmosphere exchange. The seasonal amplitude in δ 13C of land-atmosphere CO 2 exchange (δ source) varied across land cover types and was not driven by seasonal changes in vapor pressure deficit. The largest seasonal amplitudes of δsource were at grassland and urban sites, driven by changes in C 3/C 4 grass productivity and fossil fuel emissions, respectively. Mixing model approaches may incorrectly calculate δs ource when background atmospheric observations are remote and/or prone to anthropogenic influence.« less

Does vapor pressure deficit drive the seasonality of δ 13 C of the net land-atmosphere CO 2 exchange across the United States?: The Influence of VPD on δ 13 C of NEE

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

Raczka, B.; Biraud, S. C.; Ehleringer, J. R.

The seasonal pattern of the carbon isotope content (δ 13C) of atmospheric CO 2 depends on local and nonlocal land-atmosphere exchange and atmospheric transport. Previous studies suggested that the δ13C of the net land-atmosphere CO 2 flux (δsource) varies seasonally as stomatal conductance of plants responds to vapor pressure deficit of air (VPD). We studied the variation of δ source at seven sites across the United States representing forests, grasslands, and an urban center. Using a two-part mixing model, we calculated the seasonal δsource for each site after removing background influence and, when possible, removing δ 13C variation of nonlocalmore » sources. Compared to previous analyses, we found a reduced seasonal (March–September) variation in δ source at the forest sites (0.5‰variation). We did not find a consistent seasonal relationship between VPD and δ source across forest (or other) sites, providing evidence that stomatal response to VPD was not the cause of the global, coherent seasonal pattern in δsource. In contrast to the forest sites, grassland and urban sites had a larger seasonal variation in δ source (5‰) dominated by seasonal transitions in C 3/C 4 grass productivity and in fossil fuel emissions, respectively. Our findings were sensitive to the location used to account for atmospheric background variation within the mixing model method that determined δsource. Special consideration should be given to background location depending on whether the intent is to understand site level dynamics or regional scale impacts of land-atmosphere exchange. The seasonal amplitude in δ 13C of land-atmosphere CO 2 exchange (δ source) varied across land cover types and was not driven by seasonal changes in vapor pressure deficit. The largest seasonal amplitudes of δsource were at grassland and urban sites, driven by changes in C 3/C 4 grass productivity and fossil fuel emissions, respectively. Mixing model approaches may incorrectly calculate δs ource when background atmospheric observations are remote and/or prone to anthropogenic influence.« less

Ion implantation for deterministic single atom devices

NASA Astrophysics Data System (ADS)

Pacheco, J. L.; Singh, M.; Perry, D. L.; Wendt, J. R.; Ten Eyck, G.; Manginell, R. P.; Pluym, T.; Luhman, D. R.; Lilly, M. P.; Carroll, M. S.; Bielejec, E.

2017-12-01

We demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

Counterfactual Quantum Deterministic Key Distribution

NASA Astrophysics Data System (ADS)

Zhang, Sheng; Wang, Jian; Tang, Chao-Jing

2013-01-01

We propose a new counterfactual quantum cryptography protocol concerning about distributing a deterministic key. By adding a controlled blocking operation module to the original protocol [T.G. Noh, Phys. Rev. Lett. 103 (2009) 230501], the correlation between the polarizations of the two parties, Alice and Bob, is extended, therefore, one can distribute both deterministic keys and random ones using our protocol. We have also given a simple proof of the security of our protocol using the technique we ever applied to the original protocol. Most importantly, our analysis produces a bound tighter than the existing ones.

Ion implantation for deterministic single atom devices

DOE PAGES

Pacheco, J. L.; Singh, M.; Perry, D. L.; ...

2017-12-04

Here, we demonstrate a capability of deterministic doping at the single atom level using a combination of direct write focused ion beam and solid-state ion detectors. The focused ion beam system can position a single ion to within 35 nm of a targeted location and the detection system is sensitive to single low energy heavy ions. This platform can be used to deterministically fabricate single atom devices in materials where the nanostructure and ion detectors can be integrated, including donor-based qubits in Si and color centers in diamond.

Deterministic quantum splitter based on time-reversed Hong-Ou-Mandel interference

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

Chen, Jun; Lee, Kim Fook; Kumar, Prem

2007-09-15

By utilizing a fiber-based indistinguishable photon-pair source in the 1.55 {mu}m telecommunications band [J. Chen et al., Opt. Lett. 31, 2798 (2006)], we present the first, to the best of our knowledge, deterministic quantum splitter based on the principle of time-reversed Hong-Ou-Mandel quantum interference. The deterministically separated identical photons' indistinguishability is then verified by using a conventional Hong-Ou-Mandel quantum interference, which exhibits a near-unity dip visibility of 94{+-}1%, making this quantum splitter useful for various quantum information processing applications.

17 CFR 162.7 - Reasonable and simple methods of opting out.

Code of Federal Regulations, 2013 CFR

2013-04-01

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Code of Federal Regulations, 2012 CFR

2012-04-01

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Code of Federal Regulations, 2010 CFR

2010-04-01

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2011-04-01

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2014-04-01

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Federal Register 2010, 2011, 2012, 2013, 2014

2011-11-18

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2011-01-10

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Estimating photosynthetic 13C discrimination in terrestrial CO2 exchange from canopy to regional scales.

Treesearch

Chun-Ta Lai; James R. Ehleringer; Pieter Tans; Steven C. Wofsy; Shawn P. Urbanski; David Y. Hollinger

2004-01-01

We determined δ13C values associated with canopy gross and net C02 fluxes from four U.S. sites sampled between 2001 and 2002. Annual mean, flux-weighted δ13C values of net ecosystem C02 exchange (NEE) were estimated for four contrasting ecosystems (three...

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2012-03-29

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2012-01-17

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Nanosecond Dynamics at Protein Metal Sites: An Application of Perturbed Angular Correlation (PAC) of γ-Rays Spectroscopy.

PubMed

Chakraborty, Saumen; Pallada, Stavroula; Pedersen, Jeppe T; Jancso, Attila; Correia, Joao G; Hemmingsen, Lars

2017-09-19

Metalloproteins are essential to numerous reactions in nature, and constitute approximately one-third of all known proteins. Molecular dynamics of proteins has been elucidated with great success both by experimental and theoretical methods, revealing atomic level details of function involving the organic constituents on a broad spectrum of time scales. However, the characterization of dynamics at biomolecular metal sites on nanosecond time scales is scarce in the literature. The aqua ions of many biologically relevant metal ions exhibit exchange of water molecules on the nanosecond time scale or faster, often defining their reactivity in aqueous solution, and this is presumably also a relevant time scale for the making and breaking of coordination bonds between metal ions and ligands at protein metal sites. Ligand exchange dynamics is critical for a variety of elementary steps of reactions in metallobiochemistry, for example, association and dissociation of metal bound water, association of substrate and dissociation of product in the catalytic cycle of metalloenzymes, at regulatory metal sites which require binding and dissociation of metal ions, as well as in the transport of metal ions across cell membranes or between proteins involved in metal ion homeostasis. In Perturbed Angular Correlation of γ-rays (PAC) spectroscopy, the correlation in time and space of two γ-rays emitted successively in a nuclear decay is recorded, reflecting the hyperfine interactions of the PAC probe nucleus with the surroundings. This allows for characterization of molecular and electronic structure as well as nanosecond dynamics at the PAC probe binding site. Herein, selected examples describing the application of PAC spectroscopy in probing the dynamics at protein metal sites are presented, including (1) exchange of Cd 2+ bound water in de novo designed synthetic proteins, and the effect of remote mutations on metal site dynamics; (2) dynamics at the β-lactamase active site, where the metal ion appears to jump between the two adjacent sites; (3) structural relaxation in small blue copper proteins upon 111 Ag + to 111 Cd 2+ transformation in radioactive nuclear decay; (4) metal ion transfer between two HAH1 proteins with change in coordination number; and (5) metal ion sensor proteins with two coexisting metal site structures. With this Account, we hope to make our modest contribution to the field and perhaps spur additional interest in dynamics at protein metal sites, which we consider to be severely underexplored. Relatively little is known about detailed atomic motions at metal sites, for example, how ligand exchange processes affect protein function, and how the amino acid composition of the protein may control this facet of metal site characteristics. We also aim to provide the reader with a qualitative impression of the possibilities offered by PAC spectroscopy in bioinorganic chemistry, especially when elucidating dynamics at protein metal sites, and finally present data that may serve as benchmarks on a relevant time scale for development and tests of theoretical molecular dynamics methods applied to biomolecular metal sites.

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition.

PubMed

Liu, Jue; Whitfield, Pamela S; Saccomanno, Michael R; Bo, Shou-Hang; Hu, Enyuan; Yu, Xiqian; Bai, Jianming; Grey, Clare P; Yang, Xiao-Qing; Khalifah, Peter G

2017-07-12

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2 Mg 2 P 3 O 9 N was synthesized by ion exchange from a Na 2 Mg 2 P 3 O 9 N precursor. Impedance spectroscopy measurements indicate that Li 2 Mg 2 P 3 O 9 N has a room temperature Li-ion conductivity of about 10 -6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2 Mg 2 P 3 O 9 N at this temperature. The structure of Li 2 Mg 2 P 3 O 9 N was determined from ex situ synchrotron and time-of-flight neutron diffraction data to retain the P2 1 3 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2 Mg 2 P 3 O 9 N. The two Li-ion sites are found to be very substantially displaced (∼0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2 Mg 2 P 3 O 9 N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li + /Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2-x Li x Mg 2 P 3 O 9 N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2 Mg 2 P 3 O 9 N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. In addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide insights into the general question of what constitutes a thermodynamic phase.

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li 2Mg 2P 3O 9N: Evidence for a Hidden Phase Transition

DOE PAGES

Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.; ...

2017-06-06

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2Mg 2P 3O 9N was synthesized in this paper by ion exchange from a Na 2Mg 2P 3O 9N precursor. Impedance spectroscopy measurements indicate that Li 2Mg 2P 3O 9N has a room temperature Li-ion conductivity of about 10 –6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2Mg 2P 3O 9N at this temperature. The structure of Li 2Mg 2P 3O 9N was determined from ex situ synchrotron and time-of-flight neutronmore » diffraction data to retain the P2 13 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2Mg 2P 3O 9N. The two Li-ion sites are found to be very substantially displaced (~0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2Mg 2P 3O 9N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li +/Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2–xLi xMg 2P 3O 9N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2Mg 2P 3O 9N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. Finally, in addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide insights into the general question of what constitutes a thermodynamic phase.« less

In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li 2Mg 2P 3O 9N: Evidence for a Hidden Phase Transition

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

Liu, Jue; Whitfield, Pamela S.; Saccomanno, Michael R.

Motivated by predictions made using a bond valence sum difference map (BVS-DM) analysis, the novel Li-ion conductor Li 2Mg 2P 3O 9N was synthesized in this paper by ion exchange from a Na 2Mg 2P 3O 9N precursor. Impedance spectroscopy measurements indicate that Li 2Mg 2P 3O 9N has a room temperature Li-ion conductivity of about 10 –6 S/cm (comparable to LiPON), which is 6 orders of magnitude higher than the extrapolated Na-ion conductivity of Na 2Mg 2P 3O 9N at this temperature. The structure of Li 2Mg 2P 3O 9N was determined from ex situ synchrotron and time-of-flight neutronmore » diffraction data to retain the P2 13 space group, though with a cubic lattice parameter of a = 9.11176(8) Å that is significantly smaller than the a = 9.2439(1) Å of Na 2Mg 2P 3O 9N. The two Li-ion sites are found to be very substantially displaced (~0.5 Å) relative to the analogous Na sites in the precursor phase. The non-molten salt ion exchange method used to prepare Li 2Mg 2P 3O 9N produces a minimal background in powder diffraction experiments, and was therefore exploited for the first time to follow a Li +/Na + ion exchange reaction using in situ powder neutron diffraction. Lattice parameter changes during ion exchange suggest that the reaction proceeds through a Na 2–xLi xMg 2P 3O 9N solid solution (stage 1) followed by a two-phase reaction (stage 2) to form Li 2Mg 2P 3O 9N. However, full Rietveld refinements of the in situ neutron diffraction data indicate that the actual transformation mechanism is more complex and instead involves two thermodynamically distinct solid solutions in which the Li exclusively occupies the Li1 site at low Li contents (stage 1a) and then migrates to the Li3 site at higher Li contents (stage 1b), a crossover driven by the different signs of the local volume change at these sites. Finally, in addition to highlighting the importance of obtaining full structural data in situ throughout the ion exchange process, these results provide insights into the general question of what constitutes a thermodynamic phase.« less

Changing contributions of stochastic and deterministic processes in community assembly over a successional gradient.

PubMed

Måren, Inger Elisabeth; Kapfer, Jutta; Aarrestad, Per Arild; Grytnes, John-Arvid; Vandvik, Vigdis

2018-01-01

Successional dynamics in plant community assembly may result from both deterministic and stochastic ecological processes. The relative importance of different ecological processes is expected to vary over the successional sequence, between different plant functional groups, and with the disturbance levels and land-use management regimes of the successional systems. We evaluate the relative importance of stochastic and deterministic processes in bryophyte and vascular plant community assembly after fire in grazed and ungrazed anthropogenic coastal heathlands in Northern Europe. A replicated series of post-fire successions (n = 12) were initiated under grazed and ungrazed conditions, and vegetation data were recorded in permanent plots over 13 years. We used redundancy analysis (RDA) to test for deterministic successional patterns in species composition repeated across the replicate successional series and analyses of co-occurrence to evaluate to what extent species respond synchronously along the successional gradient. Change in species co-occurrences over succession indicates stochastic successional dynamics at the species level (i.e., species equivalence), whereas constancy in co-occurrence indicates deterministic dynamics (successional niche differentiation). The RDA shows high and deterministic vascular plant community compositional change, especially early in succession. Co-occurrence analyses indicate stochastic species-level dynamics the first two years, which then give way to more deterministic replacements. Grazed and ungrazed successions are similar, but the early stage stochasticity is higher in ungrazed areas. Bryophyte communities in ungrazed successions resemble vascular plant communities. In contrast, bryophytes in grazed successions showed consistently high stochasticity and low determinism in both community composition and species co-occurrence. In conclusion, stochastic and individualistic species responses early in succession give way to more niche-driven dynamics in later successional stages. Grazing reduces predictability in both successional trends and species-level dynamics, especially in plant functional groups that are not well adapted to disturbance. © 2017 The Authors. Ecology, published by Wiley Periodicals, Inc., on behalf of the Ecological Society of America.

Earthquake Hazard Mitigation Using a Systems Analysis Approach to Risk Assessment

NASA Astrophysics Data System (ADS)

Legg, M.; Eguchi, R. T.

2015-12-01

The earthquake hazard mitigation goal is to reduce losses due to severe natural events. The first step is to conduct a Seismic Risk Assessment consisting of 1) hazard estimation, 2) vulnerability analysis, 3) exposure compilation. Seismic hazards include ground deformation, shaking, and inundation. The hazard estimation may be probabilistic or deterministic. Probabilistic Seismic Hazard Assessment (PSHA) is generally applied to site-specific Risk assessments, but may involve large areas as in a National Seismic Hazard Mapping program. Deterministic hazard assessments are needed for geographically distributed exposure such as lifelines (infrastructure), but may be important for large communities. Vulnerability evaluation includes quantification of fragility for construction or components including personnel. Exposure represents the existing or planned construction, facilities, infrastructure, and population in the affected area. Risk (expected loss) is the product of the quantified hazard, vulnerability (damage algorithm), and exposure which may be used to prepare emergency response plans, retrofit existing construction, or use community planning to avoid hazards. The risk estimate provides data needed to acquire earthquake insurance to assist with effective recovery following a severe event. Earthquake Scenarios used in Deterministic Risk Assessments provide detailed information on where hazards may be most severe, what system components are most susceptible to failure, and to evaluate the combined effects of a severe earthquake to the whole system or community. Casualties (injuries and death) have been the primary factor in defining building codes for seismic-resistant construction. Economic losses may be equally significant factors that can influence proactive hazard mitigation. Large urban earthquakes may produce catastrophic losses due to a cascading of effects often missed in PSHA. Economic collapse may ensue if damaged workplaces, disruption of utilities, and resultant loss of income produces widespread default on payments. With increased computational power and more complete inventories of exposure, Monte Carlo methods may provide more accurate estimation of severe losses and the opportunity to increase resilience of vulnerable systems and communities.

Calibration of a distributed routing rainfall-runoff model at four urban sites near Miami, Florida

USGS Publications Warehouse

Doyle, W. Harry; Miller, Jeffrey E.

1980-01-01

Urban stormwater data from four Miami, Fla. catchments were collected and compiled by the U.S. Geological Survey and were used for testing the applicability of deterministic modeling for characterizing stormwater flows from small land-use areas. A description of model calibration and verification is presented for: (1) A 40.8 acre single-family residential area, (2) a 58.3-acre highway area, (3) a 20.4-acre commercial area, and (4) a 14.7-acre multifamily residential area. Rainfall-runoff data for 80, 108, 114, and 52 storms at sites, 1, 2, 3, and 4, respectively, were collected, analyzed, and stored on direct-access files. Rainfall and runoff data for these storms (at 1-minute time intervals) were used in flow-modeling simulation analyses. A distributed routing Geological Survey rainfall-runoff model was used to determine rainfall excess and route overland and channel flows at each site. Optimization of soil-moisture- accounting and infiltration parameters was performed during the calibration phases. The results of this study showed that, with qualifications, an acceptable verification of the Geological Survey model can be achieved. (Kosco-USGS)

On the preventive management of sediment-related sewer blockages: a combined maintenance and routing optimization approach.

PubMed

Fontecha, John E; Akhavan-Tabatabaei, Raha; Duque, Daniel; Medaglia, Andrés L; Torres, María N; Rodríguez, Juan Pablo

In this work we tackle the problem of planning and scheduling preventive maintenance (PM) of sediment-related sewer blockages in a set of geographically distributed sites that are subject to non-deterministic failures. To solve the problem, we extend a combined maintenance and routing (CMR) optimization approach which is a procedure based on two components: (a) first a maintenance model is used to determine the optimal time to perform PM operations for each site and second (b) a mixed integer program-based split procedure is proposed to route a set of crews (e.g., sewer cleaners, vehicles equipped with winches or rods and dump trucks) in order to perform PM operations at a near-optimal minimum expected cost. We applied the proposed CMR optimization approach to two (out of five) operative zones in the city of Bogotá (Colombia), where more than 100 maintenance operations per zone must be scheduled on a weekly basis. Comparing the CMR against the current maintenance plan, we obtained more than 50% of cost savings in 90% of the sites.

Selection of remedial alternatives for mine sites: a multicriteria decision analysis approach.

PubMed

Betrie, Getnet D; Sadiq, Rehan; Morin, Kevin A; Tesfamariam, Solomon

2013-04-15

The selection of remedial alternatives for mine sites is a complex task because it involves multiple criteria and often with conflicting objectives. However, an existing framework used to select remedial alternatives lacks multicriteria decision analysis (MCDA) aids and does not consider uncertainty in the selection of alternatives. The objective of this paper is to improve the existing framework by introducing deterministic and probabilistic MCDA methods. The Preference Ranking Organization Method for Enrichment Evaluation (PROMETHEE) methods have been implemented in this study. The MCDA analysis involves processing inputs to the PROMETHEE methods that are identifying the alternatives, defining the criteria, defining the criteria weights using analytical hierarchical process (AHP), defining the probability distribution of criteria weights, and conducting Monte Carlo Simulation (MCS); running the PROMETHEE methods using these inputs; and conducting a sensitivity analysis. A case study was presented to demonstrate the improved framework at a mine site. The results showed that the improved framework provides a reliable way of selecting remedial alternatives as well as quantifying the impact of different criteria on selecting alternatives. Copyright © 2013 Elsevier Ltd. All rights reserved.

The nature of the exchange coupling between high-spin Fe(III) heme o3 and CuBII in Escherichia coli quinol oxidase, cytochrome bo3: MCD and EPR studies.

PubMed

Cheesman, Myles R; Oganesyan, Vasily S; Watmough, Nicholas J; Butler, Clive S; Thomson, Andrew J

2004-04-07

Fully oxidized cytochrome bo3 from Escherichia coli has been studied in its oxidized and several ligand-bound forms using electron paramagnetic resonance (EPR) and magnetic circular dichroism (MCD) spectroscopies. In each form, the spin-coupled high-spin Fe(III) heme o3 and CuB(II) ion at the active site give rise to similar fast-relaxing broad features in the dual-mode X-band EPR spectra. Simulations of dual-mode spectra are presented which show that this EPR can arise only from a dinuclear site in which the metal ions are weakly coupled by an anisotropic exchange interaction of J 1 cm-1. A variable-temperature and magnetic field (VTVF) MCD study is also presented for the cytochrome bo3 fluoride and azide derivatives. New methods are used to extract the contribution to the MCD of the spin-coupled active site in the presence of strong transitions from low-spin Fe(III) heme b. Analysis of the MCD data, independent of the EPR study, also shows that the spin-coupling within the active site is weak with J approximately 1 cm-1. These conclusions overturn a long-held view that such EPR signals in bovine cytochrome c oxidase arise from an S' = 2 ground state resulting from strong exchange coupling (J > 10(2) cm-1) within the active site.

The H(2) sensor of Ralstonia eutropha: biochemical and spectroscopic analysis of mutant proteins modified at a conserved glutamine residue close to the [NiFe] active site.

PubMed

Buhrke, Thorsten; Brecht, Marc; Lubitz, Wolfgang; Friedrich, Bärbel

2002-09-01

[NiFe] hydrogenases contain a highly conserved histidine residue close to the [NiFe] active site which is altered by a glutamine residue in the H(2)-sensing [NiFe] hydrogenases. In this study, we exchanged the respective glutamine residue of the H(2) sensor (RH) of Ralstonia eutropha, Q67 of the RH large subunit HoxC, by histidine, asparagine and glutamate. The replacement by histidine and asparagine resulted in slightly unstable RH proteins which were hardly affected in their regulatory and enzymatic properties. The exchange to glutamate led to a completely unstable RH protein. The purified wild-type RH and the mutant protein with the Gln/His exchange were analysed by continuous-wave and pulsed electron paramagnetic resonance (EPR) techniques. We observed a coupling of a nitrogen nucleus with the [NiFe] active site for the mutant protein which was absent in the spectrum of the wild-type RH. A combination of theoretical calculations with the experimental data provided an explanation for the observed coupling. It is shown that the coupling is due to the formation of a weak hydrogen bond between the protonated N(epsilon) nucleus of the histidine with the sulfur of a conserved cysteine residue which coordinates the metal atoms of the [NiFe] active site as a bridging ligand. The effect of this hydrogen bond on the local structure of the [NiFe] active site is discussed.

A grammar inference approach for predicting kinase specific phosphorylation sites.

PubMed

Datta, Sutapa; Mukhopadhyay, Subhasis

2015-01-01

Kinase mediated phosphorylation site detection is the key mechanism of post translational mechanism that plays an important role in regulating various cellular processes and phenotypes. Many diseases, like cancer are related with the signaling defects which are associated with protein phosphorylation. Characterizing the protein kinases and their substrates enhances our ability to understand the mechanism of protein phosphorylation and extends our knowledge of signaling network; thereby helping us to treat such diseases. Experimental methods for predicting phosphorylation sites are labour intensive and expensive. Also, manifold increase of protein sequences in the databanks over the years necessitates the improvement of high speed and accurate computational methods for predicting phosphorylation sites in protein sequences. Till date, a number of computational methods have been proposed by various researchers in predicting phosphorylation sites, but there remains much scope of improvement. In this communication, we present a simple and novel method based on Grammatical Inference (GI) approach to automate the prediction of kinase specific phosphorylation sites. In this regard, we have used a popular GI algorithm Alergia to infer Deterministic Stochastic Finite State Automata (DSFA) which equally represents the regular grammar corresponding to the phosphorylation sites. Extensive experiments on several datasets generated by us reveal that, our inferred grammar successfully predicts phosphorylation sites in a kinase specific manner. It performs significantly better when compared with the other existing phosphorylation site prediction methods. We have also compared our inferred DSFA with two other GI inference algorithms. The DSFA generated by our method performs superior which indicates that our method is robust and has a potential for predicting the phosphorylation sites in a kinase specific manner.

Deterministic multidimensional nonuniform gap sampling.

PubMed

Worley, Bradley; Powers, Robert

2015-12-01

Born from empirical observations in nonuniformly sampled multidimensional NMR data relating to gaps between sampled points, the Poisson-gap sampling method has enjoyed widespread use in biomolecular NMR. While the majority of nonuniform sampling schemes are fully randomly drawn from probability densities that vary over a Nyquist grid, the Poisson-gap scheme employs constrained random deviates to minimize the gaps between sampled grid points. We describe a deterministic gap sampling method, based on the average behavior of Poisson-gap sampling, which performs comparably to its random counterpart with the additional benefit of completely deterministic behavior. We also introduce a general algorithm for multidimensional nonuniform sampling based on a gap equation, and apply it to yield a deterministic sampling scheme that combines burst-mode sampling features with those of Poisson-gap schemes. Finally, we derive a relationship between stochastic gap equations and the expectation value of their sampling probability densities. Copyright © 2015 Elsevier Inc. All rights reserved.

A Comparison of Probabilistic and Deterministic Campaign Analysis for Human Space Exploration

NASA Technical Reports Server (NTRS)

Merrill, R. Gabe; Andraschko, Mark; Stromgren, Chel; Cirillo, Bill; Earle, Kevin; Goodliff, Kandyce

2008-01-01

Human space exploration is by its very nature an uncertain endeavor. Vehicle reliability, technology development risk, budgetary uncertainty, and launch uncertainty all contribute to stochasticity in an exploration scenario. However, traditional strategic analysis has been done in a deterministic manner, analyzing and optimizing the performance of a series of planned missions. History has shown that exploration scenarios rarely follow such a planned schedule. This paper describes a methodology to integrate deterministic and probabilistic analysis of scenarios in support of human space exploration. Probabilistic strategic analysis is used to simulate "possible" scenario outcomes, based upon the likelihood of occurrence of certain events and a set of pre-determined contingency rules. The results of the probabilistic analysis are compared to the nominal results from the deterministic analysis to evaluate the robustness of the scenario to adverse events and to test and optimize contingency planning.

First Order Reliability Application and Verification Methods for Semistatic Structures

NASA Technical Reports Server (NTRS)

Verderaime, Vincent

1994-01-01

Escalating risks of aerostructures stimulated by increasing size, complexity, and cost should no longer be ignored by conventional deterministic safety design methods. The deterministic pass-fail concept is incompatible with probability and risk assessments, its stress audits are shown to be arbitrary and incomplete, and it compromises high strength materials performance. A reliability method is proposed which combines first order reliability principles with deterministic design variables and conventional test technique to surmount current deterministic stress design and audit deficiencies. Accumulative and propagation design uncertainty errors are defined and appropriately implemented into the classical safety index expression. The application is reduced to solving for a factor that satisfies the specified reliability and compensates for uncertainty errors, and then using this factor as, and instead of, the conventional safety factor in stress analyses. The resulting method is consistent with current analytical skills and verification practices, the culture of most designers, and with the pace of semistatic structural designs.

Apparatus for fixing latency

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

Hall, David R; Bartholomew, David B; Moon, Justin

2009-09-08

An apparatus for fixing computational latency within a deterministic region on a network comprises a network interface modem, a high priority module and at least one deterministic peripheral device. The network interface modem is in communication with the network. The high priority module is in communication with the network interface modem. The at least one deterministic peripheral device is connected to the high priority module. The high priority module comprises a packet assembler/disassembler, and hardware for performing at least one operation. Also disclosed is an apparatus for executing at least one instruction on a downhole device within a deterministic region,more » the apparatus comprising a control device, a downhole network, and a downhole device. The control device is near the surface of a downhole tool string. The downhole network is integrated into the tool string. The downhole device is in communication with the downhole network.« less

Stochastic Petri Net extension of a yeast cell cycle model.

PubMed

Mura, Ivan; Csikász-Nagy, Attila

2008-10-21

This paper presents the definition, solution and validation of a stochastic model of the budding yeast cell cycle, based on Stochastic Petri Nets (SPN). A specific family of SPNs is selected for building a stochastic version of a well-established deterministic model. We describe the procedure followed in defining the SPN model from the deterministic ODE model, a procedure that can be largely automated. The validation of the SPN model is conducted with respect to both the results provided by the deterministic one and the experimental results available from literature. The SPN model catches the behavior of the wild type budding yeast cells and a variety of mutants. We show that the stochastic model matches some characteristics of budding yeast cells that cannot be found with the deterministic model. The SPN model fine-tunes the simulation results, enriching the breadth and the quality of its outcome.

Effect of sample volume on metastable zone width and induction time

NASA Astrophysics Data System (ADS)

Kubota, Noriaki

2012-04-01

The metastable zone width (MSZW) and the induction time, measured for a large sample (say>0.1 L) are reproducible and deterministic, while, for a small sample (say<1 mL), these values are irreproducible and stochastic. Such behaviors of MSZW and induction time were theoretically discussed both with stochastic and deterministic models. Equations for the distribution of stochastic MSZW and induction time were derived. The average values of stochastic MSZW and induction time both decreased with an increase in sample volume, while, the deterministic MSZW and induction time remained unchanged. Such different behaviors with variation in sample volume were explained in terms of detection sensitivity of crystallization events. The average values of MSZW and induction time in the stochastic model were compared with the deterministic MSZW and induction time, respectively. Literature data reported for paracetamol aqueous solution were explained theoretically with the presented models.

Fencing network direct memory access data transfers in a parallel active messaging interface of a parallel computer

DOEpatents

Blocksome, Michael A.; Mamidala, Amith R.

2015-07-07

Fencing direct memory access (`DMA`) data transfers in a parallel active messaging interface (`PAMI`) of a parallel computer, the PAMI including data communications endpoints, each endpoint including specifications of a client, a context, and a task, the endpoints coupled for data communications through the PAMI and through DMA controllers operatively coupled to a deterministic data communications network through which the DMA controllers deliver data communications deterministically, including initiating execution through the PAMI of an ordered sequence of active DMA instructions for DMA data transfers between two endpoints, effecting deterministic DMA data transfers through a DMA controller and the deterministic data communications network; and executing through the PAMI, with no FENCE accounting for DMA data transfers, an active FENCE instruction, the FENCE instruction completing execution only after completion of all DMA instructions initiated prior to execution of the FENCE instruction for DMA data transfers between the two endpoints.

Fencing network direct memory access data transfers in a parallel active messaging interface of a parallel computer

DOEpatents

Blocksome, Michael A.; Mamidala, Amith R.

2015-07-14

Fencing direct memory access (`DMA`) data transfers in a parallel active messaging interface (`PAMI`) of a parallel computer, the PAMI including data communications endpoints, each endpoint including specifications of a client, a context, and a task, the endpoints coupled for data communications through the PAMI and through DMA controllers operatively coupled to a deterministic data communications network through which the DMA controllers deliver data communications deterministically, including initiating execution through the PAMI of an ordered sequence of active DMA instructions for DMA data transfers between two endpoints, effecting deterministic DMA data transfers through a DMA controller and the deterministic data communications network; and executing through the PAMI, with no FENCE accounting for DMA data transfers, an active FENCE instruction, the FENCE instruction completing execution only after completion of all DMA instructions initiated prior to execution of the FENCE instruction for DMA data transfers between the two endpoints.

Impact of exchanges and client-therapist alliance in online-text psychotherapy.

PubMed

Reynolds, D'Arcy J; Stiles, William B; Bailer, A John; Hughes, Michael R

2013-05-01

The impact of exchanges and client-therapist alliance of online therapy text exchanges were compared to previously published results in face-to-face therapy, and the moderating effects of four participant factors found significant in previously published face-to-face studies were investigated using statistical mixed-effect modeling analytic techniques. Therapists (N=30) and clients (N=30) engaged in online therapy were recruited from private practitioner sites, e-clinics, online counseling centers, and mental-health-related discussion boards. In a naturalistic design, they each visited an online site weekly and completed the standard impact and alliance questionnaires for at least 6 weeks. Results indicated that the impact of exchanges and client-therapist alliance in text therapy was similar to, but in some respects more positive than, previous evaluations of face-to-face therapy. The significance of participant factors previously found to influence impact and alliance in face-to-face therapy (client symptom severity, social support, therapist theoretical orientation, and therapist experience) was not replicated, except that therapists with the more symptomatic clients rated their text exchanges as less smooth and comfortable. Although its small size and naturalistic design impose limitations on sensitivity and generalizability, this study provides some insights into treatment impact and the alliance in online therapy.

Role of allosteric switch residue histidine 195 in maintaining active-site asymmetry in presynaptic filaments of bacteriophage T4 UvsX recombinase.

PubMed

Farb, Joshua N; Morrical, Scott W

2009-01-16

Recombinases of the highly conserved RecA/Rad51 family play central roles in homologous recombination and DNA double-stranded break repair. RecA/Rad51 enzymes form presynaptic filaments on single-stranded DNA (ssDNA) that are allosterically activated to catalyze ATPase and DNA strand-exchange reactions. Information is conveyed between DNA- and ATP-binding sites, in part, by a highly conserved glutamine residue (Gln194 in Escherichia coli RecA) that acts as an allosteric switch. The T4 UvsX protein is a divergent RecA ortholog and contains histidine (His195) in place of glutamine at the allosteric switch position. UvsX and RecA catalyze similar strand-exchange reactions, but differ in other properties. UvsX produces both ADP and AMP as products of its ssDNA-dependent ATPase activity--a property that is unique among characterized recombinases. Details of the kinetics of ssDNA-dependent ATP hydrolysis reactions indicate that UvsX-ssDNA presynaptic filaments are asymmetric and contain two classes of ATPase active sites: one that generates ADP, and another that generates AMP. Active-site asymmetry is reduced by mutations at the His195 position, since UvsX-H195Q and UvsX-H195A mutants both exhibit stronger ssDNA-dependent ATPase activity, with lower cooperativity and markedly higher ADP/AMP product ratios, than wild-type UvsX. Reduced active-site asymmetry correlates strongly with reduced ssDNA-binding affinity and DNA strand-exchange activity in both H195Q and H195A mutants. These and other results support a model in which allosteric switch residue His195 controls the formation of an asymmetric conformation of UvsX-ssDNA filaments that is active in DNA strand exchange. The implications of our findings for UvsX recombination functions, and for RecA functions in general, are discussed.

Improved decision making in construction using virtual site visits.

DOT National Transportation Integrated Search

2003-01-01

This study explored the dynamics of information exchange involving field issues relating to construction and the assistance that a virtual site visit can provide to the field decision-making process. Such a process can be used for inspection and surv...

Nutrient fluxes across sediment-water interface in Bohai Bay Coastal Zone, China.

PubMed

Mu, Di; Yuan, Dekui; Feng, Huan; Xing, Fangwei; Teo, Fang Yenn; Li, Shuangzhao

2017-01-30

Sediment cores and overlying water samples were collected at four sites in Tianjin Coastal Zone, Bohai Bay, to investigate nutrient (N, P and Si) exchanges across the sediment-water interface. The exchange fluxes of each nutrient species were estimated based on the porewater profiles and laboratory incubation experiments. The results showed significant differences between the two methods, which implied that molecular diffusion alone was not the dominant process controlling nutrient exchanges at these sites. The impacts of redox conditions and bioturbation on the nutrient fluxes were confirmed by the laboratory incubation experiments. The results from this study showed that the nutrient fluxes measured directly from the incubation experiment were more reliable than that predicted from the porewater profiles. The possible impacts causing variations in the nutrient fluxes include sewage discharge and land reclamation. Copyright © 2016 Elsevier Ltd. All rights reserved.

Excitations and magnetization density distribution in the dilute ferromagnetic semiconductor Yb 14 MnSb 11

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

Stone, M. B.; Garlea, V. O.; Gillon, B.

2017-01-23

One rare example of a Kondo lattice compound with ferromagnetic dominated RKKY interactions is Ybmore » $$_{14}$$MnSb$$_{11}$$. As a ferromagnetic semiconductor with $$T_c \\approx 53$$~K, it is also a potential compound for exploration of spintronic devices. This material is furthermore one of the most efficient high temperature thermoelectrics. We describe measurements which answer remaining questions regarding the energy scales of the exchange interactions, the valence and the magnetization density distribution in this system. We also find that the system consists of RKKY exchange coupled Mn$$^{2+}$$ sites with nearest and next nearest exchange interactions dominating the magnetic spectrum with no significant magnetization density localized on other atomic sites. The extended spread of a negative magnetization around each of the Mn ions supports a Kondo screening cloud scenario for Yb$$_{14}$$MnSb$$_{11}$$.« less

An exact solution for R2,eff in CPMG experiments in the case of two site chemical exchange

PubMed Central

Baldwin, Andrew J.

2014-01-01

The Carr–Purcell–Meiboom–Gill (CPMG) experiment is widely used to quantitatively analyse the effects of chemical exchange on NMR spectra. In a CPMG experiment, the effective transverse relaxation rate, R2,eff, is typically measured as a function of the pulse frequency, νCPMG. Here, an exact expression for how R2,eff varies with νCPMG is derived for the commonly encountered scenario of two-site chemical exchange of in-phase magnetisation. This result, summarised in Appendix A, generalises a frequently used equation derived by Carver and Richards, published in 1972. The expression enables more rapid analysis of CPMG data by both speeding up calculation of R2,eff over numerical methods by a factor of ca. 130, and yields exact derivatives for use in data analysis. Moreover, the derivation provides insight into the physical principles behind the experiment. PMID:24852115

Requirements for functional models of the iron hydrogenase active site: D2/H2O exchange activity in ((mu-SMe)(mu-pdt)[Fe(CO)2(PMe3)]2+)[BF4-].

PubMed

Georgakaki, Irene P; Miller, Matthew L; Darensbourg, Marcetta Y

2003-04-21

Hydrogen uptake in hydrogenase enzymes can be assayed by H/D exchange reactivity in H(2)/D(2)O or H(2)/D(2)/H(2)O mixtures. Diiron(I) complexes that serve as structural models for the active site of iron hydrogenase are not active in such isotope scrambling but serve as precursors to Fe(II)Fe(II) complexes that are functional models of [Fe]H(2)ase. Using the same experimental protocol as used previously for ((mu-H)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-H(+) (Zhao et al. J. Am. Chem. Soc. 2001, 123, 9710), we now report the results of studies of ((mu-SMe)(mu-pdt)[Fe(CO)(2)(PMe(3))](2)(+)), 1-SMe(+), toward H/D exchange. The 1-SMe(+) complex can take up H(2) and catalyze the H/D exchange reaction in D(2)/H(2)O mixtures under photolytic, CO-loss conditions. Unlike 1-H(+), it does not catalyze H(2)/D(2) scrambling under anhydrous conditions. The molecular structure of 1-SMe(+) involves an elongated Fe.Fe separation, 3.11 A, relative to 2.58 A in 1-H(+). It is proposed that the strong SMe(-) bridging ligand results in catalytic activity localized on a single Fe(II) center, a scenario that is also a prominent possibility for the enzyme active site. The single requirement is an open site on Fe(II) available for binding of D(2) (or H(2)), followed by deprotonation by the external base H(2)O (or D(2)O).

The case of a needle exchange policy debate in Fresno, California

PubMed Central

Clarke, KRIS

2016-01-01

Needle exchange is one of the most effective public health interventions to prevent the transmission of infectious disease by injecting drug users. Despite the preponderance of scientific evidence, US federal funding for needle exchange programmes has been banned since 1988. This prohibition has resulted in the lack of a centralised policy on needle exchange and has given birth to a patchwork of diverse practices and regulations throughout the nation. This article focuses on how various local players interpreted the meaning of needle exchange through the debate on an unauthorised site in Fresno, California. In exploring a specific context, this study delineates the narratives used to outline competing views about needle exchange and to offer a snapshot of how the issue of widespread injecting drug use was handled in an impoverished and socially conservative region of the United States. PMID:28035171

Realistic Simulation for Body Area and Body-To-Body Networks

PubMed Central

Alam, Muhammad Mahtab; Ben Hamida, Elyes; Ben Arbia, Dhafer; Maman, Mickael; Mani, Francesco; Denis, Benoit; D’Errico, Raffaele

2016-01-01

In this paper, we present an accurate and realistic simulation for body area networks (BAN) and body-to-body networks (BBN) using deterministic and semi-deterministic approaches. First, in the semi-deterministic approach, a real-time measurement campaign is performed, which is further characterized through statistical analysis. It is able to generate link-correlated and time-varying realistic traces (i.e., with consistent mobility patterns) for on-body and body-to-body shadowing and fading, including body orientations and rotations, by means of stochastic channel models. The full deterministic approach is particularly targeted to enhance IEEE 802.15.6 proposed channel models by introducing space and time variations (i.e., dynamic distances) through biomechanical modeling. In addition, it helps to accurately model the radio link by identifying the link types and corresponding path loss factors for line of sight (LOS) and non-line of sight (NLOS). This approach is particularly important for links that vary over time due to mobility. It is also important to add that the communication and protocol stack, including the physical (PHY), medium access control (MAC) and networking models, is developed for BAN and BBN, and the IEEE 802.15.6 compliance standard is provided as a benchmark for future research works of the community. Finally, the two approaches are compared in terms of the successful packet delivery ratio, packet delay and energy efficiency. The results show that the semi-deterministic approach is the best option; however, for the diversity of the mobility patterns and scenarios applicable, biomechanical modeling and the deterministic approach are better choices. PMID:27104537

Realistic Simulation for Body Area and Body-To-Body Networks.

PubMed

Alam, Muhammad Mahtab; Ben Hamida, Elyes; Ben Arbia, Dhafer; Maman, Mickael; Mani, Francesco; Denis, Benoit; D'Errico, Raffaele

2016-04-20

In this paper, we present an accurate and realistic simulation for body area networks (BAN) and body-to-body networks (BBN) using deterministic and semi-deterministic approaches. First, in the semi-deterministic approach, a real-time measurement campaign is performed, which is further characterized through statistical analysis. It is able to generate link-correlated and time-varying realistic traces (i.e., with consistent mobility patterns) for on-body and body-to-body shadowing and fading, including body orientations and rotations, by means of stochastic channel models. The full deterministic approach is particularly targeted to enhance IEEE 802.15.6 proposed channel models by introducing space and time variations (i.e., dynamic distances) through biomechanical modeling. In addition, it helps to accurately model the radio link by identifying the link types and corresponding path loss factors for line of sight (LOS) and non-line of sight (NLOS). This approach is particularly important for links that vary over time due to mobility. It is also important to add that the communication and protocol stack, including the physical (PHY), medium access control (MAC) and networking models, is developed for BAN and BBN, and the IEEE 802.15.6 compliance standard is provided as a benchmark for future research works of the community. Finally, the two approaches are compared in terms of the successful packet delivery ratio, packet delay and energy efficiency. The results show that the semi-deterministic approach is the best option; however, for the diversity of the mobility patterns and scenarios applicable, biomechanical modeling and the deterministic approach are better choices.

8 CFR 214.12 - Preliminary enrollment of schools in the Student and Exchange Visitor Information System (SEVIS).

Code of Federal Regulations, 2011 CFR

2011-01-01

... eligible schools to apply for preliminary enrollment through the Internet is as follows: (1) Eligible institutions must access the Internet site, http://www.ins.usdoj.gov/sevis. Upon accessing the site, the... access the Internet site and will electronically enter the school's information for its Form I-17. (c...

Commodification of Sexual Labor: The Contribution of Internet Communities to Prostitution Reform

ERIC Educational Resources Information Center

Young, Jeffrey R.

2009-01-01

This is an ethnographic study of a self-regulated Internet site that facilitates illegal female prostitution in South Florida. The purpose is to identify the social and economic characteristics of the site that can contribute to acceptable prostitution reform. The members of the site appear to sustain an orderly and mutually respectful exchange of…

Sodium recognition by the Na+/Ca2+ exchanger in the outward-facing conformation

PubMed Central

Marinelli, Fabrizio; Almagor, Lior; Hiller, Reuben; Giladi, Moshe; Khananshvili, Daniel; Faraldo-Gómez, José D.

2014-01-01

Na+/Ca2+ exchangers (NCXs) are ubiquitous membrane transporters with a key role in Ca2+ homeostasis and signaling. NCXs mediate the bidirectional translocation of either Na+ or Ca2+, and thus can catalyze uphill Ca2+ transport driven by a Na+ gradient, or vice versa. In a major breakthrough, a prokaryotic NCX homolog (NCX_Mj) was recently isolated and its crystal structure determined at atomic resolution. The structure revealed an intriguing architecture consisting of two inverted-topology repeats, each comprising five transmembrane helices. These repeats adopt asymmetric conformations, yielding an outward-facing occluded state. The crystal structure also revealed four putative ion-binding sites, but the occupancy and specificity thereof could not be conclusively established. Here, we use molecular-dynamics simulations and free-energy calculations to identify the ion configuration that best corresponds to the crystallographic data and that is also thermodynamically optimal. In this most probable configuration, three Na+ ions occupy the so-called Sext, SCa, and Sint sites, whereas the Smid site is occupied by one water molecule and one H+, which protonates an adjacent aspartate side chain (D240). Experimental measurements of Na+/Ca2+ and Ca2+/Ca2+ exchange by wild-type and mutagenized NCX_Mj confirm that transport of both Na+ and Ca2+ requires protonation of D240, and that this side chain does not coordinate either ion at Smid. These results imply that the ion exchange stoichiometry of NCX_Mj is 3:1 and that translocation of Na+ across the membrane is electrogenic, whereas transport of Ca2+ is not. Altogether, these findings provide the basis for further experimental and computational studies of the conformational mechanism of this exchanger. PMID:25468964

Sodium recognition by the Na+/Ca2+ exchanger in the outward-facing conformation.

PubMed

Marinelli, Fabrizio; Almagor, Lior; Hiller, Reuben; Giladi, Moshe; Khananshvili, Daniel; Faraldo-Gómez, José D

2014-12-16

Na(+)/Ca(2+) exchangers (NCXs) are ubiquitous membrane transporters with a key role in Ca(2+) homeostasis and signaling. NCXs mediate the bidirectional translocation of either Na(+) or Ca(2+), and thus can catalyze uphill Ca(2+) transport driven by a Na(+) gradient, or vice versa. In a major breakthrough, a prokaryotic NCX homolog (NCX_Mj) was recently isolated and its crystal structure determined at atomic resolution. The structure revealed an intriguing architecture consisting of two inverted-topology repeats, each comprising five transmembrane helices. These repeats adopt asymmetric conformations, yielding an outward-facing occluded state. The crystal structure also revealed four putative ion-binding sites, but the occupancy and specificity thereof could not be conclusively established. Here, we use molecular-dynamics simulations and free-energy calculations to identify the ion configuration that best corresponds to the crystallographic data and that is also thermodynamically optimal. In this most probable configuration, three Na(+) ions occupy the so-called Sext, SCa, and Sint sites, whereas the Smid site is occupied by one water molecule and one H(+), which protonates an adjacent aspartate side chain (D240). Experimental measurements of Na(+)/Ca(2+) and Ca(2+)/Ca(2+) exchange by wild-type and mutagenized NCX_Mj confirm that transport of both Na(+) and Ca(2+) requires protonation of D240, and that this side chain does not coordinate either ion at Smid. These results imply that the ion exchange stoichiometry of NCX_Mj is 3:1 and that translocation of Na(+) across the membrane is electrogenic, whereas transport of Ca(2+) is not. Altogether, these findings provide the basis for further experimental and computational studies of the conformational mechanism of this exchanger.

First-principles calculations of the magnetic properties of (Cd,Mn)Te nanocrystals

NASA Astrophysics Data System (ADS)

Echeverría-Arrondo, C.; Pérez-Conde, J.; Ayuela, A.

2009-04-01

We investigate the electronic and magnetic properties of Mn-doped CdTe nanocrystals (NCs) with ˜2nm in diameter which can be experimentally synthesized with Mn atoms inside. Using the density-functional theory, we consider two doping cases: NCs containing one or two Mn impurities. Although the Mnd peaks carry five up electrons in the dot, the local magnetic moment on the Mn site is 4.65μB . It is smaller than 5μB because of the sp-d hybridization between the localized 3d electrons of the Mn atoms and the s - and p -type valence states of the host compound. The sp-d hybridization induces small magnetic moments on the Mn-nearest-neighbor Te sites, antiparallel to the Mn moment affecting the p -type valence states of the undoped dot, as usual for a kinetic-mediated exchange magnetic coupling. Furthermore, we calculate the parameters standing for the sp-d exchange interactions. Conduction N0α and valence N0β are close to the experimental bulk values when the Mn impurities occupy bulklike NCs’ central positions, and they tend to zero close to the surface. This behavior is further explained by an analysis of valence-band-edge states showing that symmetry breaking splits the states and in consequence reduces the exchange. For two Mn atoms in several positions, the valence edge states show a further departure from an interpretation based in a perturbative treatment. We also calculate the d-d exchange interactions |Jdd| between Mn spins. The largest |Jdd| value is also for Mn atoms on bulklike central sites; in comparison with the experimental d-d exchange constant in bulk Cd0.95Mn0.05Te , it is four times smaller.

Greenhouse gas exchange of rewetted bog peat extraction sites and a Sphagnum cultivation site in northwest Germany

NASA Astrophysics Data System (ADS)

Beyer, C.; Höper, H.

2015-04-01

During the last decades an increasing area of drained peatlands has been rewetted. Especially in Germany, rewetting is the principal treatment on cutover sites when peat extraction is finished. The objectives are bog restoration and the reduction of greenhouse gas (GHG) emissions. The first sites were rewetted in the 1980s. Thus, there is a good opportunity to study long-term effects of rewetting on greenhouse gas exchange, which has not been done so far on temperate cutover peatlands. Moreover, Sphagnum cultivating may become a new way to use cutover peatlands and agriculturally used peatlands as it permits the economical use of bogs under wet conditions. The climate impact of such measures has not been studied yet. We conducted a field study on the exchange of carbon dioxide, methane and nitrous oxide at three rewetted sites with a gradient from dry to wet conditions and at a Sphagnum cultivation site in NW Germany over the course of more than 2 years. Gas fluxes were measured using transparent and opaque closed chambers. The ecosystem respiration (CO2) and the net ecosystem exchange (CO2) were modelled at a high temporal resolution. Measured and modelled values fit very well together. Annually cumulated gas flux rates, net ecosystem carbon balances (NECB) and global warming potential (GWP) balances were determined. The annual net ecosystem exchange (CO2) varied strongly at the rewetted sites (from -201.7 ± 126.8 to 29.7± 112.7g CO2-C m-2 a-1) due to differing weather conditions, water levels and vegetation. The Sphagnum cultivation site was a sink of CO2 (-118.8 ± 48.1 and -78.6 ± 39.8 g CO2-C m-2 a-1). The annual CH4 balances ranged between 16.2 ± 2.2 and 24.2 ± 5.0g CH4-C m-2 a-1 at two inundated sites, while one rewetted site with a comparatively low water level and the Sphagnum farming site show CH4 fluxes close to 0. The net N2O fluxes were low and not significantly different between the four sites. The annual NECB was between -185.5 ± 126.9 and 49.9 ± 112.8 g CO2-C m-2 a-1 at the rewetted sites and -115.8 ± 48.1 and -77 ± 39.8 g CO2-C m-2 a-1 at the Sphagnum cultivating site. The annual GWP100 balances ranged from -280.5 ± 465.2 to 644.5 ± 413.6 g CO2-eq. m-2 a-1 at the rewetted sites. In contrast, the Sphagnum farming site had a cooling impact on the climate in both years (-356.8 ± 176.5 and -234.9 ± 145.9 g CO2-C m-2 a-1). If the carbon exported through the harvest of the Sphagnum biomass and the additional CO2 emission from the decay of the organic material is considered, the NECB and GWP100 balances are near neutral. Peat mining sites are likely to become net carbon sinks and a peat accumulating ("growing") peatland within 30 years of rewetting, but the GWP100 balance may still be positive. A recommended measure for rewetting is to achieve a water level of a few centimetres below ground. Sphagnum farming is a climate-friendly alternative to conventional commercial use of bogs. A year-round constant water level of a few centimetres below ground level should be maintained.

({The) Solar System Large Planets influence on a new Maunder Miniμm}

NASA Astrophysics Data System (ADS)

Yndestad, Harald; Solheim, Jan-Erik

2016-04-01

In 1890´s G. Spörer and E. W. Maunder (1890) reported that the solar activity stopped in a period of 70 years from 1645 to 1715. Later a reconstruction of the solar activity confirms the grand minima Maunder (1640-1720), Spörer (1390-1550), Wolf (1270-1340), and the minima Oort (1010-1070) and Dalton (1785-1810) since the year 1000 A.D. (Usoskin et al. 2007). These minimum periods have been associated with less irradiation from the Sun and cold climate periods on Earth. An identification of a three grand Maunder type periods and two Dalton type periods in a period thousand years, indicates that sooner or later there will be a colder climate on Earth from a new Maunder- or Dalton- type period. The cause of these minimum periods, are not well understood. An expected new Maunder-type period is based on the properties of solar variability. If the solar variability has a deterministic element, we can estimate better a new Maunder grand minimum. A random solar variability can only explain the past. This investigation is based on the simple idea that if the solar variability has a deterministic property, it must have a deterministic source, as a first cause. If this deterministic source is known, we can compute better estimates the next expected Maunder grand minimum period. The study is based on a TSI ACRIM data series from 1700, a TSI ACRIM data series from 1000 A.D., sunspot data series from 1611 and a Solar Barycenter orbit data series from 1000. The analysis method is based on a wavelet spectrum analysis, to identify stationary periods, coincidence periods and their phase relations. The result shows that the TSI variability and the sunspots variability have deterministic oscillations, controlled by the large planets Jupiter, Uranus and Neptune, as the first cause. A deterministic model of TSI variability and sunspot variability confirms the known minimum and grand minimum periods since 1000. From this deterministic model we may expect a new Maunder type sunspot minimum period from about 2018 to 2055. The deterministic model of a TSI ACRIM data series from 1700 computes a new Maunder type grand minimum period from 2015 to 2071. A model of the longer TSI ACRIM data series from 1000 computes a new Dalton to Maunder type minimum irradiation period from 2047 to 2068.

Effects of low-level radioactive-waste disposal on water chemistry in the unsaturated zone at a site near Sheffield, Illinois, 1982-84

USGS Publications Warehouse

Peters, C.A.; Striegl, Robert G.; Mills, P.C.; Healy, R.W.

1992-01-01

A 1982-84 field study defined the chemistry of water collected from the unsaturated zone at a low-level radioactive-waste disposal site near Sheffield, Bureau County, Ill. Chemical data were evaluated to determine the principal, naturally occurring geochemical reactions in the unsaturated zone and to evaluate waste-induced effects on pore-water chemistry. Samples of precipitation, unsaturated-zone pore water, and saturated-zone water were analyzed for specific conductance, pH, alkalinity, major cations and anions, dissolved organic carbon, gross alpha and beta radiation, and tritium. Little change in concentration of most major constituents in the unsaturated-zone water was observed with respect to depth or distance from disposal trenches. Tritium and dissolved organic carbon concentrations were, however, dependent on proximity to trenches. The primary reactions, both on-site and off-site, were carbonate and clay dissolution, cation exchange, and the oxidation of pyrite. The major difference between on-site and off-site inorganic water chemistry resulted from the removal of the Roxana Silt and the Radnor Till Member of the Glasford Formation from on-site. Off-site, the Roxana Silt contributed substantial quantities of sodium to solution from montmorillonite dissolution and associated cation-exchange reactions. The Radnor Till Member provided exchange surfaces for magnesium. Precipitation at the site had an ionic composition of calcium zinc sulfate and an average pH of 4.6. Within 0.3 meter of the land surface, infiltrating rainwater or snowmelt changed to an ionic composition of calcium sulfate off-site and calcium bicarbonate on-site and had an average pH of 7.9; below that depth, pH averaged 7.5 and the ionic composition generally was calcium magnesium bicarbonate. Alkalinity and specific conductance differed primarily according to composition of geologic materials. Tritium concentrations ranged from 0.2 (detection limit) to 1,380 nanocuries per liter. The methods of constructing, installing, and sampling with lysimeters were evaluated to ensure data reliability. These evaluations indicate that, with respect to most constituents, the samples retrieved from the lysimeters accurately represented pore-water chemistry.

Effects of low-level radioactive-waste disposal on water chemistry in the unsaturated zone at a site near Sheffield, Illinois, 1982-84

USGS Publications Warehouse

Peters, C.A.; Striegl, Robert G.; Mills, P.C.; Healy, R.W.

1992-01-01

A 1982-84 field study defined the chemistry of water collected from the unsaturated zone at a low-level radioactive-waste disposal site near Sheffield, Bureau County, Illinois. Chemical data were evaluated to determine the principal naturally occurring geochemical reactions in the unsaturated zone and to evaluate waste-induced effects on pore-water chemistry. Samples of precipitation, unsaturated-zone pore water, and saturated-zone water were analyzed for specific conductance, pH, alkalinity, major cations and anions, dissolved organic carbon, gross alpha and beta radiation, and tritium. Little change in concentration of most major constituents in the unsaturated-zone water was observed with respect to depth or distance from disposal trenches. Tritium and dissolved organic carbon concentrations were, however, dependent on proximity to trenches. The primary reactions, both on- site and off-site, were carbonate and clay dissolution, cation exchange, and the oxidation of pyrite. The major difference between on-site and off-site inorganic water chemistry resulted from the removal of the Roxana Silt and the Radnor Till Member of the Glasford Formation from on-site. Off-site, the Roxana Silt contributed substantial quantities of sodium to solution from montmorillonite dissolution and associated cation-exchange reactions. The Radnor Till Member provided exchange surfaces for magnesium. Precipitation at the site had an ionic composition of calcium zinc sulfate and an average pH of 4.6. Within 0.3 meter of the land surface, infiltrating rain water or snowmelt changed to an ionic canposition of calcium sulfate off-site and calcium bicarbonate on-site and had an average pH of 7.9; below that depth, pH averaged 7.5 and the ionic composition generally was calcium magnesium bicarbonate. Alkalinity and specific conductance differed primarily according to composition of geologic materials. Tritium concentrations ranged from 0.2 (detection limit) to 1,380 nanocuries per liter. The methods of constructing, installing, and sampling with lysimeters were evaluated to ensure data reliability. These evaluations indicate that, with respect to most constituents, the samples retrieved from the lysimeters accurately represented pore-water chemistry.

Contrasting impact of forestry-drainage on CO2 balance at two adjacent peatlands in Finland

NASA Astrophysics Data System (ADS)

Lohila, Annalea; Minkkinen, Kari; Penttilä, Timo; Launiainen, Samuli; Koskinen, Markku; Ojanen, Paavo; Laurila, Tuomas

2014-05-01

Fate of carbon in peatlands after drainage has been a subject of many studies, particularly at agriculturally managed sites, but also at sites prepared for forestry. In general, the drainage of peatlands has been considered to trigger the decomposition rate of peat and to cause carbon dioxide (CO2) emissions from the peat into the atmosphere. However, there is not yet full consensus on what are the main regulating factors of the carbon balances in forested peatlands, and do all the forested peatland even act as a source of carbon into the atmosphere. In this study we compare the CO2 exchange rates at two adjacent peatland sites in southern Finland, drained for forestry about 40 years earlier. The pair of sites with similar climatic conditions offer an excellent case for studying the mechanisms controlling the carbon balances of forestry-drained peatlands. The sites differ from each other only by fertility, which has an impact on, e.g., tree growth rate. At both sites, CO2 and energy fluxes have been measured with the eddy covariance method over the course of 4 years, but not simultaneously. We have also built at both sites an automatic system consisting of six transparent closed chambers which collect data on the CO2 exchange of the forest floor vegetation (including tree roots) and soil around the year. This enables us to quantify the carbon uptake potential of the ground layer and the peat decomposition rates and helps us to understand the differences between the sites. The results show that the pine and dwarf-shrub-dominated site (nutrient-poor) is a large CO2 sink. The site with a mixture of spruce, birch and pine and lesser ground vegetation (nutrient-rich), on the contrary, has a close-to-neutral CO2 balance, despite the much higher tree growth rate there. In this presentation we will compare the general dynamics and climatic responses of CO2 exchange at the sites, compare the magnitude and factors causing interannual variation, and discuss potential reasons for the different carbon balances.

Regional variability of grassland CO2 fluxes in Tyrol/Austria

NASA Astrophysics Data System (ADS)

Irschick, Christoph; Hammerle, Albin; Haslwanter, Alois; Wohlfahrt, Georg

2010-05-01

The FLUXNET project [1] aims at quantifying the magnitude and controls on the CO2, H2O and energy exchange of terrestrial ecosystems. Ideally, the various biomes of the Earth would be sampled in proportion to their spatial extent - in reality, however, study site selection is usually based on other (more practical) criteria so that a bias exists towards certain biomes and ecosystem types. This may be problematic because FLUXNET data are used to calibrate/parameterize models at various scales - if certain ecosystems are poorly replicated this may bias model predictions. Here we present data from a project in Tyrol/Austria where we have been investigating the CO2, H2O and energy exchange of five grassland sites during 2005-2007. The five permanent grassland sites were exposed to similar climate, but differed slightly in management. In a FLUXNET style approach, any of these sites might have been selected for making long-term flux measurements - the aim of this project was to examine the representativeness of these sites and, if evident, elucidate the causes for and controls on differences between sites. To this end we conducted continuous eddy covariance flux measurements at one (anchor) site [2, 3], and episodic, month long flux measurements at the four additional sites using a roving eddy covariance tower. These data were complemented by measurements of environmental drivers, the amount of above ground phytomass and basic data on vegetation and soil type, as well as management. Data are subject to a rigorous statistical analysis in order to quantify significant differences in the CO2, H2O and energy exchange between the sites and to identify the factors which are responsible for these differences. In the present contribution we report results on CO2 fluxes. Our major findings are that (i) site-identity of the surveyed grassland ecosystems was a significant factor for the net ecosystem CO2 exchange (NEE), somewhat less for gross primary production (GPP) and not for ecosystem respiration (RECO), (ii) GPP depended mainly on the amount of incident photosynthetically active radiation and the amount of green plant matter, the scale of influence of these two factors varying fourfold between the sites, and not so much on the available water, (iii) RECO was mainly affected by the soil temperature, but some evidence for priming effects was also found, (iv) the NEE was mainly influenced by GPP and to a lower extent by RECO. Taken together our results indicate that even within the same ecosystem type exposed to similar climate and land use, site selection may strongly affect the resulting NEE estimates. References: [1] D.D. Baldocchi, "Breathing of the terrestrial biosphere: lessons learned from a global network of carbon dioxide flux measurement systems", Australian Journal of Botany vol.56 (2008) pp. 1-26. [2] A. Hammerle, A. Haslwanter, U. Tappeiner, A. Cernusca, G. Wohlfahrt, "Leaf area controls on energy partitioning of a temperate mountain grassland", Biogeosciences vol.5 (2008) pp. 421 431. [3] G. Wohlfahrt, A. Hammerle, A. Haslwanter, M. Bahn, U. Tappeiner, A. Cernusca, "Seasonal and inter-annual variability of the net ecosystem CO2 exchange of a temperate mountain grassland: effects of weather and management", Journal of Geophysical Research 113 (2008) D08110, doi:10.1029/2007JD009286.

Pu Anion Exchange Process Intensification

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

Taylor-Pashow, Kathryn M. L.

This research is focused on improving the efficiency of the anion exchange process for purifying plutonium. While initially focused on plutonium, the technology could also be applied to other ion-exchange processes. Work in FY17 focused on the improvement and optimization of porous foam columns that were initially developed in FY16. These foam columns were surface functionalized with poly(4-vinylpyridine) (PVP) to provide the Pu specific anion-exchange sites. Two different polymerization methods were explored for maximizing the surface functionalization with the PVP. The open-celled polymeric foams have large open pores and large surface areas available for sorption. The fluid passes through themore » large open pores of this material, allowing convection to be the dominant mechanism by which mass transport takes place. These materials generally have very low densities, open-celled structures with high cell interconnectivity, small cell sizes, uniform cell size distributions, and high structural integrity. These porous foam columns provide advantages over the typical porous resin beads by eliminating the slow diffusion through resin beads, making the anion-exchange sites easily accessible on the foam surfaces. The best performing samples exceeded the Pu capacity of the commercially available resin, and also offered the advantage of sharper elution profiles, resulting in a more concentrated product, with less loss of material to the dilute heads and tails cuts. An alternate approach to improving the efficiency of this process was also explored through the development of a microchannel array system for performing the anion exchange.« less

77 FR 56902 - Self-Regulatory Organizations; New York Stock Exchange LLC; Notice of Filing and Immediate...

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Synthesis of single-site copper catalysts for methane partial oxidation

DOE PAGES

Grundner, S.; Luo, W.; Sanchez-Sanchez, M.; ...

2015-12-24

Cu-Exchanged zeolites are known as active materials for methane oxidation to methanol. However, understanding of the formation of Cu active species during synthesis, dehydration and activation is fragmented and rudimentary. We show here how a synthesis protocol guided by insight in the ion exchange elementary steps leads to highly uniform Cu species in mordenite (MOR).

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

Duignan, M. R.; Herman, D. T.; Restivo, M. L.

Experiments at several different scales were performed to understand the removal of spherical resorcinol formaldehyde (sRF) ion exchange resin using a gravity drain system with a valve located above the resin screen in the ion exchange column (IXC). This is being considered as part of the design for the Low Activity Waste Pretreatment System (LAWPS) to be constructed at the DOE Hanford Site.

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