Influence of throat configuration and fish density on escapement of channel catfish from hoop nets

USGS Publications Warehouse

Porath, Mark T.; Pape, Larry D.; Richters, Lindsey K.

2011-01-01

In recent years, several state agencies have adopted the use of baited, tandemset hoop nets to assess lentic channel catfish Ictalurus punctatus populations. Some level of escapement from the net is expected because an opening exists in each throat of the net, although factors influencing rates of escapement from hoop nets have not been quantified. We conducted experiments to quantify rates of escapement and to determine the influence of throat configuration and fish density within the net on escapement rates. An initial experiment to determine the rate of escapement from each net compartment utilized individually tagged channel catfish placed within the entrance (between the two throats) and cod (within the second throat) compartments of a single hoop net for overnight sets. From this experiment, the mean rate (±SE) of channel catfish escaping was 4.2% (±1.5) from the cod (cod throat was additionally restricted from the traditionally manufactured product), and 74% (±4.2) from the entrance compartments. In a subsequent experiment, channel catfish were placed only in the cod compartment with different throat configurations (restricted or unrestricted) and at two densities (low [6 fish per net] and high [60 fish per net]) for overnight sets to determine the influence of fish density and throat configuration on escapement rates. Escapement rates between throat configurations were doubled at low fish density (13.3 ± 5.4% restricted versus 26.7 ± 5.6% unrestricted) and tripled at high fish density (14.3 ± 4.9% restricted versus 51.9 ± 5.0% unrestricted). These results suggest that retention efficiency is high from cod compartments with restricted throat entrances. However, managers and researchers need to be aware that modification to the cod throats (restrictions) is needed for hoop nets ordered from manufacturers. Managers need to be consistent in their use and reporting of cod end throat configurations when using this gear.

10 CFR 960.5-2-3 - Meteorology.

Code of Federal Regulations, 2013 CFR

2013-01-01

... operation and closure will not be likely to lead to radionuclide releases to an unrestricted area greater... with higher population densities than are the average for the region. (2) History of extreme weather...

10 CFR 960.5-2-3 - Meteorology.

Code of Federal Regulations, 2014 CFR

2014-01-01

... operation and closure will not be likely to lead to radionuclide releases to an unrestricted area greater... with higher population densities than are the average for the region. (2) History of extreme weather...

10 CFR 960.5-2-3 - Meteorology.

Code of Federal Regulations, 2012 CFR

2012-01-01

... operation and closure will not be likely to lead to radionuclide releases to an unrestricted area greater... with higher population densities than are the average for the region. (2) History of extreme weather...

Theoretical study of the density of states and magnetic properties of LaCoO3

NASA Astrophysics Data System (ADS)

Zhuang, Min; Zhang, Weiyi; Hu, Cheng; Ming, Naiben

1998-05-01

The density of states and magnetic properties of low-spin, high-spin, and mixing states of LaCoO3 have been studied within the unrestricted Hartree-Fock approximation. The real-space recursion method is adopted for computing the electronic structure of the disordered system. The paramagnetic high-spin state is dealt with using the usual binary alloy coherent potential approximation (CPA); an extended trinary alloy CPA approximation is developed to describe the mixing state. In agreement with experiments, our results show that the main features of the quasiparticle spectra in the mixing state are not a sensitive function of the high-spin component, but the spectrum does get broadened due to spin scattering. The increasing of the high-spin component also results in a pileup of the density of states at the Fermi energy which indicates an insulator to metal phase transition. Some limitations of the present approach are also discussed.

Invited Paper - Density functional theory: coverage of dynamic and non-dynamic electron correlation effects

NASA Astrophysics Data System (ADS)

Cremer, Dieter

The electron correlation effects covered by density functional theory (DFT) can be assessed qualitatively by comparing DFT densities ρ(r) with suitable reference densities obtained with wavefunction theory (WFT) methods that cover typical electron correlation effects. The analysis of difference densities ρ(DFT)-ρ(WFT) reveals that LDA and GGA exchange (X) functionals mimic non-dynamic correlation effects in an unspecified way. It is shown that these long range correlation effects are caused by the self-interaction error (SIE) of standard X functionals. Self-interaction corrected (SIC) DFT exchange gives, similar to exact exchange, for the bonding region a delocalized exchange hole, and does not cover any correlation effects. Hence, the exchange SIE is responsible for the fact that DFT densities often resemble MP4 or MP2 densities. The correlation functional changes X-only DFT densities in a manner observed when higher order coupling effects between lower order N-electron correlation effects are included. Hybrid functionals lead to changes in the density similar to those caused by SICDFT, which simply reflects the fact that hybrid functionals have been developed to cover part of the SIE and its long range correlation effects in a balanced manner. In the case of spin-unrestricted DFT (UDFT), non-dynamic electron correlation effects enter the calculation both via the X functional and via the wavefunction, which may cause a double-counting of correlation effects. The use of UDFT in the form of permuted orbital and broken-symmetry DFT (PO-UDFT, BS-UDFT) can lead to reasonable descriptions of multireference systems provided certain conditions are fulfilled. More reliable, however, is a combination of DFT and WFT methods, which makes the routine description of multireference systems possible. The development of such methods implies a separation of dynamic and non-dynamic correlation effects. Strategies for accomplishing this goal are discussed in general and tested in practice for CAS (complete active space)-DFT.

Ab initio study of the structural properties of ascorbic acid (vitamin C)

NASA Astrophysics Data System (ADS)

Allen, Reeshemah N.; Shukla, M. K.; Reed, Demarcio; Leszczynski, Jerzy

Geometries of the neutral and ionic tautomeric species of ascorbic acid were optimized at the density functional theory (DFT) level using the B3LYP functional. The radical species were evaluated using the unrestricted B3LYP method. Single-point energy calculations were also performed using the Møller-Plesset (MP2) and unrestricted MP2 (UMP2) methods for the closed-shell and open-shell systems, respectively. The effects of aqueous solution were evaluated using the conducting polarized continuum model (CPCM) and polarized continuum model (PCM). The geometries of most stable radicals in the respective groups were also optimized in the water solution using the CPCM model at the UB3LYP level. All calculation were performed using the 6-311++G(d,p) basis set. The nature of stationary points on the gas phase potential energy surfaces (PESs) was evaluated using vibrational frequency calculations; all geometries characterize local minima. The species obtained by the deprotonation of the O3 site is the most stable monoanion of ascorbic acid. For the radical species, the structure obtained by the dehydrogenation of the O3 site is the most stable monoradical. Among the radical anions, the species obtained by the deprotonation of the O3 site and subsequent dehydrogenation of the O2 site is the most stable in the gas phase and in an aqueous medium. The computed isotropic hyperfine coupling constants of this species were found to be in good agreement with the experimental data. Our investigation also supports the earlier findings that the oxidized species of ascorbic acid in water solution by the OH? radical is radical anion of the AAO?3O-2 form. The spin densities and molecular electrostatic potentials are also discussed.

Forms of adsorption and transition states of oxidation of carbon monoxide by molecular oxygen and dissociation of nitrogen monooxide, catalyzed by monovalent copper

NASA Astrophysics Data System (ADS)

Ermakov, A. I.; Mashutin, V. Y.; Vishnjakov, A. V.

With the help of the results of semiempirical (parametric method 3) and ab initio (second-order Møller-Plesset [MP2] unrestricted Hartree-Fock [UHF] 6-31G**, unrestricted density functional theory [UDFT] 6-31G** Becke's three-parameter exchange functional and the gradient-corrected functional of Lee, Yang, and Paar [B3LYP] and UDFT LANL2DZ B3LYP) quantum-chemical calculations has been studied the complexation CO and NO with molecular hydroxide of copper(I). The influence of charge defects has been simulated by the calculations of anionic, neutral, and cationic systems. It is shown that CO and NO are mainly coordinated by nonoxygen atom on an atom of copper(I) hydroxide as one- and two-center forms. These forms are suitable for appearance of prereactionary complexes of catalytic oxidation CO by molecular oxygen and decomposition NO into atoms of nitrogen and oxygen. The corresponding prereactionary complexes for systems with participation of copper(II) hydroxide and copper(III) hydroxide are not revealed. The calculations predict inhibiting impact of copper(II) and copper(III) of the observed reactions. Computed stability of complexes CO and NO with copper(I) hydroxide and activation energy of catalytic conversion of monooxides essentially depend on an excessive charge of the system. Introduction of electron-donating additives into copper(I) hydroxide promotes rise of catalytic activity of copper(I) compound.

Intramolecular hydrogen bonds: ab initio Car Parrinello simulations of arylamide torsions

NASA Astrophysics Data System (ADS)

Doerksen, Robert J.; Chen, Bin; Klein, Michael L.

2003-10-01

Gas-phase, room temperature Car-Parrinello molecular dynamics simulations using the HCTH density functional are reported for the arylamides acetanilide ( 1) and ortho-methylthioacetanilide ( 2). The simulations show that in 1, rotation around the ring-amide bond is relatively unrestricted. By contrast, in 2 the methylthio side chain encourages the amide to be directed with N-H pointing toward S, not to flip by 360°, and furthermore to remain close to coplanar with the benzene ring. Because of an intramolecular N-H⋯S hydrogen bond, the N-H stretch frequency of 2 is red-shifted by ˜78 cm -1 compared to that of 1.

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

Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru

First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level.more » In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.« less

Novel Role of Superfluidity in Low-Energy Nuclear Reactions.

PubMed

Magierski, Piotr; Sekizawa, Kazuyuki; Wlazłowski, Gabriel

2017-07-28

We demonstrate, within symmetry unrestricted time-dependent density functional theory, the existence of new effects in low-energy nuclear reactions which originate from superfluidity. The dynamics of the pairing field induces solitonic excitations in the colliding nuclear systems, leading to qualitative changes in the reaction dynamics. The solitonic excitation prevents collective energy dissipation and effectively suppresses the fusion cross section. We demonstrate how the variations of the total kinetic energy of the fragments can be traced back to the energy stored in the superfluid junction of colliding nuclei. Both contact time and scattering angle in noncentral collisions are significantly affected. The modification of the fusion cross section and possibilities for its experimental detection are discussed.

MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals

NASA Astrophysics Data System (ADS)

Saito, Toru; Nishihara, Satomichi; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi

2010-10-01

Mukherjee's type of multireference coupled-cluster (MkMRCC), approximate spin-projected spin-unrestricted CC (APUCC), and AP spin-unrestricted Brueckner's (APUBD) methods were applied to didehydronated ethylene, allyl cation, cis-butadiene, and naphthalene. The focus is on descriptions of magnetic properties for these diradical species such as S-T gaps and diradical characters. Several types of orbital sets were examined as reference orbitals for MkMRCC calculations, and it was found that the change of orbital sets do not give significant impacts on computational results for these species. Comparison of MkMRCC results with APUCC and APUBD results show that these two types of methods yield similar results. These results show that the quantum spin corrected UCC and UBD methods can effectively account for both nondynamical and dynamical correlation effects that are covered by the MkMRCC methods. It was also shown that appropriately parameterized hybrid density functional theory (DFT) with AP corrections (APUDFT) calculations yielded very accurate data that qualitatively agree with those of MRCC and APUBD methods. This hierarchy of methods, MRCC, APUCC, and APUDFT, is expected to constitute a series of standard ab initio approaches towards radical systems, among which we could choose one of them, depending on the size of the systems and the required accuracy.

First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

NASA Astrophysics Data System (ADS)

Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Yamada, Satoru; Isobe, Hiroshi; Okumura, Mitsutaka

2015-01-01

First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level. In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.

Combined ab initio and density functional study on polaron to bipolaron transitions in oligophenyls and oligothiophenes

NASA Astrophysics Data System (ADS)

Irle, Stephan; Lischka, Hans

1997-08-01

Ab initio self-consistent-field (SCF), two-configuration SCF (TCSCF), and density functional theory (DFT) calculations on the charge-transfer complexes of doubly Li/Cl-doped oligothiophenes and oligo(p-phenyls) and on respective charged systems without counterions have been carried out in order to study polaron to bipolaron transitions. Oligomer chains up to octamers and the ring structures cyclo-dodecathiophene and cyclo-dodeca(p-phenyl) have been investigated. Special attention is paid to the open-shell biradical character of two isolated polaronic defects. It is found that the TCSCF and the spin-unrestricted DFT methods can be successfully applied. A bipolaron structure is obtained when the doping atoms are located on neighboring rings and when there is one undoped ring separating the two doped ones. If there are two or more undoped rings in between a two-polaron configuration (biradical) is found. The bipolaron system is calculated to be more stable than the two-polaron case when counterions are taken into account. The stabilities are reversed if the bare, doubly-charged systems are considered. A theoretical estimate for the barrier height of the polaron to bipolaron transition is given using model reaction coordinates.

Effects of brief daily periods of unrestricted vision during early monocular form deprivation on development of visual area 2.

PubMed

Zhang, Bin; Tao, Xiaofeng; Wensveen, Janice M; Harwerth, Ronald S; Smith, Earl L; Chino, Yuzo M

2011-09-14

Providing brief daily periods of unrestricted vision during early monocular form deprivation reduces the depth of amblyopia. To gain insights into the neural basis of the beneficial effects of this treatment, the binocular and monocular response properties of neurons were quantitatively analyzed in visual area 2 (V2) of form-deprived macaque monkeys. Beginning at 3 weeks of age, infant monkeys were deprived of clear vision in one eye for 12 hours every day until 21 weeks of age. They received daily periods of unrestricted vision for 0, 1, 2, or 4 hours during the form-deprivation period. After behavioral testing to measure the depth of the resulting amblyopia, microelectrode-recording experiments were conducted in V2. The ocular dominance imbalance away from the affected eye was reduced in the experimental monkeys and was generally proportional to the reduction in the depth of amblyopia in individual monkeys. There were no interocular differences in the spatial properties of V2 neurons in any subject group. However, the binocular disparity sensitivity of V2 neurons was significantly higher and binocular suppression was lower in monkeys that had unrestricted vision. The decrease in ocular dominance imbalance in V2 was the neuronal change most closely associated with the observed reduction in the depth of amblyopia. The results suggest that the degree to which extrastriate neurons can maintain functional connections with the deprived eye (i.e., reducing undersampling for the affected eye) is the most significant factor associated with the beneficial effects of brief periods of unrestricted vision.

Effects of Brief Daily Periods of Unrestricted Vision during Early Monocular Form Deprivation on Development of Visual Area 2

PubMed Central

Zhang, Bin; Tao, Xiaofeng; Wensveen, Janice M.; Harwerth, Ronald S.; Smith, Earl L.

2011-01-01

Purpose. Providing brief daily periods of unrestricted vision during early monocular form deprivation reduces the depth of amblyopia. To gain insights into the neural basis of the beneficial effects of this treatment, the binocular and monocular response properties of neurons were quantitatively analyzed in visual area 2 (V2) of form-deprived macaque monkeys. Methods. Beginning at 3 weeks of age, infant monkeys were deprived of clear vision in one eye for 12 hours every day until 21 weeks of age. They received daily periods of unrestricted vision for 0, 1, 2, or 4 hours during the form-deprivation period. After behavioral testing to measure the depth of the resulting amblyopia, microelectrode-recording experiments were conducted in V2. Results. The ocular dominance imbalance away from the affected eye was reduced in the experimental monkeys and was generally proportional to the reduction in the depth of amblyopia in individual monkeys. There were no interocular differences in the spatial properties of V2 neurons in any subject group. However, the binocular disparity sensitivity of V2 neurons was significantly higher and binocular suppression was lower in monkeys that had unrestricted vision. Conclusions. The decrease in ocular dominance imbalance in V2 was the neuronal change most closely associated with the observed reduction in the depth of amblyopia. The results suggest that the degree to which extrastriate neurons can maintain functional connections with the deprived eye (i.e., reducing undersampling for the affected eye) is the most significant factor associated with the beneficial effects of brief periods of unrestricted vision. PMID:21849427

Estimation of a monotone percentile residual life function under random censorship.

PubMed

Franco-Pereira, Alba M; de Uña-Álvarez, Jacobo

2013-01-01

In this paper, we introduce a new estimator of a percentile residual life function with censored data under a monotonicity constraint. Specifically, it is assumed that the percentile residual life is a decreasing function. This assumption is useful when estimating the percentile residual life of units, which degenerate with age. We establish a law of the iterated logarithm for the proposed estimator, and its n-equivalence to the unrestricted estimator. The asymptotic normal distribution of the estimator and its strong approximation to a Gaussian process are also established. We investigate the finite sample performance of the monotone estimator in an extensive simulation study. Finally, data from a clinical trial in primary biliary cirrhosis of the liver are analyzed with the proposed methods. One of the conclusions of our work is that the restricted estimator may be much more efficient than the unrestricted one. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Gauge-origin dependence in electronic g-tensor calculations

NASA Astrophysics Data System (ADS)

Glasbrenner, Michael; Vogler, Sigurd; Ochsenfeld, Christian

2018-06-01

We present a benchmark study on the gauge-origin dependence of the electronic g-tensor using data from unrestricted density functional theory calculations with the spin-orbit mean field ansatz. Our data suggest in accordance with previous studies that g-tensor calculations employing a common gauge-origin are sufficiently accurate for small molecules; however, for extended molecules, the introduced errors can become relevant and significantly exceed the basis set error. Using calculations with the spin-orbit mean field ansatz and gauge-including atomic orbitals as a reference, we furthermore show that the accuracy and reliability of common gauge-origin approaches in larger molecules depends strongly on the locality of the spin density distribution. We propose a new pragmatic ansatz for choosing the gauge-origin which takes the spin density distribution into account and gives reasonably accurate values for molecules with a single localized spin center. For more general cases like molecules with several spatially distant spin centers, common gauge-origin approaches are shown to be insufficient for consistently achieving high accuracy. Therefore the computation of g-tensors using distributed gauge-origin methods like gauge-including atomic orbitals is considered as the ideal approach and is recommended for larger molecular systems.

A surprisingly complex aqueous chemistry of the simplest amino acid. A pulse radiolysis and theoretical study on H/D kinetic isotope effects in the reaction of glycine anions with hydroxyl radicals.

PubMed

Stefanić, I; Ljubić, I; Bonifacić, M; Sabljić, A; Asmus, K-D; Armstrong, D A

2009-04-07

A pulse radiolysis study was carried out of the reaction rate constants and kinetic isotope effects of hydroxyl-radical-induced H/D abstraction from the most-simple alpha-amino acid glycine in its anionic form in water. The rate constants and yields of three predominantly formed radical products, glycyl (NH2-*CH-CO2-), aminomethyl (NH2-*CH2), and aminyl (*NH-CH2-CO2-) radicals, as well as of their partially or fully deuterated analogs, were found to be of comparable magnitude. The primary, secondary, and primary/secondary H/D kinetic isotope effects on the rate constants were determined with respect to each of the three radicals. The unusual variety of products for such an elementary reaction between two small and simple species indicates a complex mechanism with several reactions taking place simultaneously. Thus, a theoretical modeling of the reaction mechanism and kinetics in the gas- and aqueous phase was performed by using the unrestricted density functional theory with the BB1K functional (employing the polarizable continuum model for the aqueous phase), unrestricted coupled cluster UCCSD(T) method, and improved canonical variational theory. Several hydrogen-bonded prereaction complexes and transition states were detected. In particular, the calculations pointed to a significant mechanistic role of the three-electron two-orbital (sigma/sigma* N therefore O) hemibonded prereaction complexes in the aqueous phase. A good agreement with the experimental rate constants and kinetic isotope effects was achieved by downshifting the calculated reaction barriers by 3 kcal mol(-1) and damping the NH(D) stretching frequency by a factor of 0.86.

13 CFR 121.409 - What size standard applies in an unrestricted procurement for Certificate of Competency purposes?

Code of Federal Regulations, 2010 CFR

2010-01-01

... unrestricted procurement for Certificate of Competency purposes? 121.409 Section 121.409 Business Credit and... an unrestricted procurement for Certificate of Competency purposes? For the purpose of receiving a Certificate of Competency in an unrestricted procurement, the applicable size standard is that corresponding...

The unrestricted Hartree-Fock self consistent field calculation for spin density wave state in metallic carbon nanotube

NASA Astrophysics Data System (ADS)

Kobayashi, Katsushi

1997-06-01

The possibility of a spin density wave (SDW) state in a metallic carbon nanotube (CN) and its electronic properties are investigated within the Hartree-Fock self consistent field (SCF) energy-band calculation. Two kinds of spatial SDW states are assumed in this study. Each assumed SDW on the wave function is constructed with the degenerate π orbital in the metallic CN system. The results calculated for the one SDW model of CN always have a relative stability (˜ 0.1 eV/cell) in SCF total energy compared with the original model in which no SDW is assumed. All the results calculated for another SDW model are completely equal to the original one. Moreover, in the energy dispersion of the former stable SDW model, the degenerate π level found in the original model disappears and the band gap (3-5 eV) occurs around at the Fermi level. The energetic stability and the band gap are also found in the π-electron band calculation within the Hubbard Hamiltonian.

An Analysis of Costs and Cenefits Associated with Initial Contracting Technical Education and Training for Unrestricted Marine Officers

DTIC Science & Technology

2017-03-01

COSTS AND BENEFITS ASSOCIATED WITH INITIAL CONTRACTING TECHNICAL EDUCATION AND TRAINING FOR UNRESTRICTED MARINE OFFICERS by Lee A. White...WITH INITIAL CONTRACTING TECHNICAL EDUCATION AND TRAINING FOR UNRESTRICTED MARINE OFFICERS 5. FUNDING NUMBERS 6. AUTHOR(S) Lee A. White 7. PERFORMING...unlimited. AN ANALYSIS OF COSTS AND BENEFITS ASSOCIATED WITH INITIAL CONTRACTING TECHNICAL EDUCATION AND TRAINING FOR UNRESTRICTED MARINE OFFICERS

Functional performance testing for power and return to sports.

PubMed

Manske, Robert; Reiman, Michael

2013-05-01

Functional performance testing of athletes can determine physical limitations that may affect sporting activities. Optimal functional performance testing simulates the athlete's activity. A Medline search from 1960 to 2012 was implemented with the keywords functional testing, functional impairment testing, and functional performance testing in the English language. Each author also undertook independent searches of article references. Functional performance tests can bridge the gap between general physical tests and full, unrestricted athletic activity.

REACTOR

DOEpatents

Roman, W.G.

1961-06-27

A pressurized water reactor in which automatic control is achieved by varying the average density of the liquid moderator-cooiant is patented. Density is controlled by the temperature and power level of the reactor ftself. This control can be effected by the use of either plate, pellet, or tubular fuel elements. The fuel elements are disposed between upper and lower coolant plenum chambers and are designed to permit unrestricted coolant flow. The control chamber has an inlet opening communicating with the lower coolant plenum chamber and a restricted vapor vent communicating with the upper coolant plenum chamber. Thus, a variation in temperature of the fuel elements will cause a variation in the average moderator density in the chamber which directly affects the power level of the reactor.

Theoretical studies on the crystal structure, thermodynamic properties, detonation performance and thermal stability of cage-tetranitrotetraazabicyclooctane as a novel high energy density compound.

PubMed

Zhao, Guo-zheng; Lu, Ming

2013-01-01

The B3LYP/6-31G (d) method of density functional theory (DFT) was used to study molecular geometry, electronic structure, infrared spectrum (IR) and thermodynamic properties. The heat of formation (HOF) and calculated density were estimated to evaluate the detonation properties using Kamlet-Jacobs equations. Thermal stability of 3,5,7,10,12,14,15,16-octanitro- 3,5,7,10,12,14,15,16-octaaza-heptacyclo[7.5.1.1(2,8).0(1,11).0(2,6).0(4,13).0(6,11)]hexadecane (cage-tetranitrotetraazabicyclooctane) was investigated by calculating the bond dissociation energy (BDE) at unrestricted B3LYP/6-31G (d) level. The calculated results show that the N-NO2 bond is a trigger bond during thermolysis initiation process. The crystal structure obtained by molecular mechanics (MM) methods belongs to Pna2(1) space group, with cell parameters a=12.840 Å, b=9.129 Å, c=14.346 Å, Z=6 and ρ=2.292 g·cm(-3). Both the detonation velocity of 9.96 km·s(-1) and the detonation pressure of 47.47 GPa are better than those of CL-20. According to the quantitative standard of energetics and stability, as a high energy density compound (HEDC), cage-tetranitrotetraazabicyclooctane essentially satisfies this requirement.

Nuclear Technology. Course 30: Mechanical Inspection. Module 30-2, Pump Functional Testing.

ERIC Educational Resources Information Center

Wasel, Ed; Espy, John

This second in a series of eight modules for a course titled Mechanical Inspection describes typical pump functional tests which are performed after pump installation and prior to release of the plant for unrestricted power operation. The module follows a typical format that includes the following sections: (1) introduction, (2) module…

Goodness of Fit and Misspecification in Quantile Regressions

ERIC Educational Resources Information Center

Furno, Marilena

2011-01-01

The article considers a test of specification for quantile regressions. The test relies on the increase of the objective function and the worsening of the fit when unnecessary constraints are imposed. It compares the objective functions of restricted and unrestricted models and, in its different formulations, it verifies (a) forecast ability, (b)…

An efficient parallel algorithm for the calculation of unrestricted canonical MP2 energies.

PubMed

Baker, Jon; Wolinski, Krzysztof

2011-11-30

We present details of our efficient implementation of full accuracy unrestricted open-shell second-order canonical Møller-Plesset (MP2) energies, both serial and parallel. The algorithm is based on our previous restricted closed-shell MP2 code using the Saebo-Almlöf direct integral transformation. Depending on system details, UMP2 energies take from less than 1.5 to about 3.0 times as long as a closed-shell RMP2 energy on a similar system using the same algorithm. Several examples are given including timings for some large stable radicals with 90+ atoms and over 3600 basis functions. Copyright © 2011 Wiley Periodicals, Inc.

15 CFR 740.13 - Technology and software-unrestricted (TSU).

Code of Federal Regulations, 2011 CFR

2011-01-01

... 15 Commerce and Foreign Trade 2 2011-01-01 2011-01-01 false Technology and software-unrestricted... REGULATIONS LICENSE EXCEPTIONS § 740.13 Technology and software—unrestricted (TSU). This license exception authorizes exports and reexports of operation technology and software; sales technology and software...

15 CFR 740.13 - Technology and software-unrestricted (TSU).

Code of Federal Regulations, 2013 CFR

2013-01-01

... 15 Commerce and Foreign Trade 2 2013-01-01 2013-01-01 false Technology and software-unrestricted... REGULATIONS LICENSE EXCEPTIONS § 740.13 Technology and software—unrestricted (TSU). This license exception authorizes exports and reexports of operation technology and software; sales technology and software...

15 CFR 740.13 - Technology and software-unrestricted (TSU).

Code of Federal Regulations, 2014 CFR

2014-01-01

... 15 Commerce and Foreign Trade 2 2014-01-01 2014-01-01 false Technology and software-unrestricted... REGULATIONS LICENSE EXCEPTIONS § 740.13 Technology and software—unrestricted (TSU). This license exception authorizes exports and reexports of operation technology and software; sales technology and software...

15 CFR 740.13 - Technology and software-unrestricted (TSU).

Code of Federal Regulations, 2012 CFR

2012-01-01

... 15 Commerce and Foreign Trade 2 2012-01-01 2012-01-01 false Technology and software-unrestricted... REGULATIONS LICENSE EXCEPTIONS § 740.13 Technology and software—unrestricted (TSU). This license exception authorizes exports and reexports of operation technology and software; sales technology and software...

15 CFR 740.13 - Technology and software-unrestricted (TSU).

Code of Federal Regulations, 2010 CFR

2010-01-01

... 15 Commerce and Foreign Trade 2 2010-01-01 2010-01-01 false Technology and software-unrestricted... REGULATIONS LICENSE EXCEPTIONS § 740.13 Technology and software—unrestricted (TSU). This license exception authorizes exports and reexports of operation technology and software; sales technology and software...

1 CFR 2.6 - Unrestricted use.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 1 General Provisions 1 2010-01-01 2010-01-01 false Unrestricted use. 2.6 Section 2.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.6 Unrestricted use. Any person may reproduce or republish, without restriction, any material appearing in any regular...

1 CFR 2.6 - Unrestricted use.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 1 General Provisions 1 2011-01-01 2011-01-01 false Unrestricted use. 2.6 Section 2.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.6 Unrestricted use. Any person may reproduce or republish, without restriction, any material appearing in any regular...

1 CFR 2.6 - Unrestricted use.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 1 General Provisions 1 2012-01-01 2012-01-01 false Unrestricted use. 2.6 Section 2.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.6 Unrestricted use. Any person may reproduce or republish, without restriction, any material appearing in any regular...

1 CFR 2.6 - Unrestricted use.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 1 General Provisions 1 2013-01-01 2012-01-01 true Unrestricted use. 2.6 Section 2.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.6 Unrestricted use. Any person may reproduce or republish, without restriction, any material appearing in any regular...

1 CFR 2.6 - Unrestricted use.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 1 General Provisions 1 2014-01-01 2012-01-01 true Unrestricted use. 2.6 Section 2.6 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER GENERAL GENERAL INFORMATION § 2.6 Unrestricted use. Any person may reproduce or republish, without restriction, any material appearing in any regular...

Secure and Resilient Functional Modeling for Navy Cyber-Physical Systems

DTIC Science & Technology

2017-05-24

Functional Modeling Compiler (SCCT) FM Compiler and Key Performance Indicators (KPI) May 2018 Pending. Model Management Backbone (SCCT) MMB Demonstration...implement the agent- based distributed runtime. - KPIs for single/multicore controllers and temporal/spatial domains. - Integration of the model management ...Distributed Runtime (UCI) Not started. Model Management Backbone (SCCT) Not started. Siemens Corporation Corporate Technology Unrestricted

5 CFR 532.801 - Payment of unrestricted rates for recruitment or retention purposes.

Code of Federal Regulations, 2010 CFR

2010-01-01

... recruitment or retention purposes. 532.801 Section 532.801 Administrative Personnel OFFICE OF PERSONNEL MANAGEMENT CIVIL SERVICE REGULATIONS PREVAILING RATE SYSTEMS Payment of Unrestricted Rates for Recruitment or Retention Purposes § 532.801 Payment of unrestricted rates for recruitment or retention purposes. (a) When...

47 CFR 90.7 - Definitions.

Code of Federal Regulations, 2014 CFR

2014-10-01

.... A regularly interacting group of base, mobile and associated control and fixed relay stations... qualify as unrestricted. Control point. Any place from which a transmitter's functions may be controlled. Control station. An Operational Fixed Station, the transmissions of which are used to control...

47 CFR 90.7 - Definitions.

Code of Federal Regulations, 2013 CFR

2013-10-01

.... A regularly interacting group of base, mobile and associated control and fixed relay stations... qualify as unrestricted. Control point. Any place from which a transmitter's functions may be controlled. Control station. An Operational Fixed Station, the transmissions of which are used to control...

Functional Performance Testing for Power and Return to Sports

PubMed Central

Manske, Robert; Reiman, Michael

2013-01-01

Context: Functional performance testing of athletes can determine physical limitations that may affect sporting activities. Optimal functional performance testing simulates the athlete’s activity. Evidence Acquisition: A Medline search from 1960 to 2012 was implemented with the keywords functional testing, functional impairment testing, and functional performance testing in the English language. Each author also undertook independent searches of article references. Conclusion: Functional performance tests can bridge the gap between general physical tests and full, unrestricted athletic activity. PMID:24427396

Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

PubMed

Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

2017-02-14

We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

Unrestricted access to methamphetamine or cocaine in the past is associated with increased current use

PubMed Central

Culbertson, C.; De La Garza, R.; Costello, M.; Newton, T. F.

2009-01-01

Laboratory animals allowed to self-administer stimulants for extended periods of time escalate drug intake compared to animals that self-administer under temporally limited conditions. To our knowledge, this phenomenon has not been systematically investigated in humans. We interviewed 106 (77 male, 29 female) methamphetamine (Meth) and 96 (81 male, 15 female) cocaine (Coc) users to determine if they had experienced discrete period(s) of unrestricted access to unlimited quantities of Meth or Coc in the past. Fifty-eight Meth users and 53 Coc users reported having a discrete period of unrestricted access in the past, but not in the present. Meth-using participants with a prior history of unrestricted access reported significantly more current Meth use, compared to Meth users with no prior history of unrestricted access. Specifically, these participants reported more days used in the past 30 d, more days of use per week, greater use per day and greater total use per week (p<0.05 for each). Coc-using participants with a prior history of unrestricted access also reported significantly more current Coc use, compared to Coc users with no prior history of unrestricted access. This was true across all measures of current use for these participants, including more days used in the past 30 d, more days of use per week, greater use per day, and higher total use per week (p<0.02 for each). Taken together, these results suggest that a history of unrestricted access to stimulants is associated with long-lasting increases in stimulant use. PMID:19220922

47 CFR 90.7 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-10-01

... interacting group of base, mobile and associated control and fixed relay stations intended to provide land... one that does not qualify as unrestricted. Control point. Any place from which a transmitter's functions may be controlled. Control station. An Operational Fixed Station, the transmissions of which are...

47 CFR 90.7 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-10-01

... interacting group of base, mobile and associated control and fixed relay stations intended to provide land... one that does not qualify as unrestricted. Control point. Any place from which a transmitter's functions may be controlled. Control station. An Operational Fixed Station, the transmissions of which are...

47 CFR 90.7 - Definitions.

Code of Federal Regulations, 2012 CFR

2012-10-01

... interacting group of base, mobile and associated control and fixed relay stations intended to provide land... one that does not qualify as unrestricted. Control point. Any place from which a transmitter's functions may be controlled. Control station. An Operational Fixed Station, the transmissions of which are...

Hybrid density functional study of organic magnetic crystals: bi-metallic CrIII cyanides and rhombohedral C60

NASA Astrophysics Data System (ADS)

Chan, J. A.; Montanari, B.; Chan, W. L.; Harrison, N. M.

Periodic hybrid-exchange density functional theory calculations have been used to investigate the magnetic properties of two classes of organic magnets, namely the bi-metallic CrIII cyanides and the polymerized rhombohedral C60 fullerenes (Rh-C60). For the systems KMII[CrIII(CN)6] with M II=V, Mn, Ni and CrIII[CrIII(CN)6], the magnetic ordering energies, Mulliken populations, and spin density plots are reported for the optimized geometries. The qualitative nature of the magnetic coupling mechanism is consistent with that observed in previous unrestricted Hartree-Fock calculations, but the coupling energies computed here are significantly higher. The increased coupling is found to be a result of both changes in the geometry and the electronic structure resulting from the more reliable treatment of electronic exchange and correlation effects. The existence of long-range coupling between local spin moments is investigated in three different defective Rh-C60 structures: (i) a previously proposed prototype structure, where an atom is removed from the C60 cage; (ii) a related structure in which vacancies in nearby cages are brought closer together in pairs; and (iii) a structure where the intra-fullerene bond between the two inter-fullerene bonds is broken spontaneously after applying isotropic pressure to one layer of the Rh-C60 structure. All of these structures are characterized by low flat spin polarized bands at the Fermi edge and localized spin moments around the defects, but no evidence of long-range magnetic coupling is found.

Competing Quantum Orderings in Cuprate Superconductors: A Minimal Model

NASA Astrophysics Data System (ADS)

Martin, Ivar; Ortiz, Gerardo; Balatsky, A. V.; Bishop, A. R.

2001-03-01

We present a minimal model for cuprate superconductors. At the unrestricted mean-field level, the model produces homogeneous superconductivity at large doping, striped superconductivity in the underdoped regime and various antiferromagnetic phases at low doping and for high temperatures. On the underdoped side, the superconductor is intrinsically inhomogeneous and global phase coherence is achieved through Josephson-like coupling of the superconducting stripes. The model is applied to calculate experimentally measurable ARPES spectra, and local density of states measurable by STM.

MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

NASA Astrophysics Data System (ADS)

Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Okumura, Mitsutaka; Yamaguchi, Kizashi

2010-10-01

Mukherjee-type (Mk) state specific (SS) multi-reference (MR) coupled-cluster (CC) calculations of 1,n-didehydropolyene diradicals were carried out to elucidate singlet-triplet energy gaps via through-bond coupling between terminal radicals. Spin-unrestricted Hartree-Fock (UHF) based coupled-cluster (CC) computations of these diradicals were also performed. Comparison between symmetry-adapted MkMRCC and broken-symmetry (BS) UHF-CC computational results indicated that spin-contamination error of UHF-CC solutions was left at the SD level, although it had been thought that this error was negligible for the CC scheme in general. In order to eliminate the spin contamination error, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed eliminated the error to yield good agreement with MRCC in energy. The CCD with spin-unrestricted Brueckner's orbital (UB) was also employed for these polyene diradicals, showing that large spin-contamination errors at UHF solutions are dramatically improved, and therefore AP scheme for UBD removed easily the rest of spin-contaminations. Pure- and hybrid-density functional theory (DFT) calculations of the species were also performed. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid DFT. The AP DFT calculations yielded the singlet-triplet energy gaps that were in good agreement with those of MRCC, AP UHF-CC and AP UB-CC. Chemical indices such as the diradical character were calculated with all these methods. Implications of the present computational results are discussed in relation to previous RMRCC calculations of diradical species and BS calculations of large exchange coupled systems.

Direct Demonstration of the Concept of Unrestricted Effective-Medium Approximation

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Dlugach, Zhanna M.; Zakharova, Nadezhda T.

2014-01-01

The modified unrestricted effective-medium refractive index is defined as one that yields accurate values of a representative set of far-field scattering characteristics (including the scattering matrix) for an object made of randomly heterogeneous materials. We validate the concept of the modified unrestricted effective-medium refractive index by comparing numerically exact superposition T-matrix results for a spherical host randomly filled with a large number of identical small inclusions and Lorenz-Mie results for a homogeneous spherical counterpart. A remarkable quantitative agreement between the superposition T-matrix and Lorenz-Mie scattering matrices over the entire range of scattering angles demonstrates unequivocally that the modified unrestricted effective-medium refractive index is a sound (albeit still phenomenological) concept provided that the size parameter of the inclusions is sufficiently small and their number is sufficiently large. Furthermore, it appears that in cases when the concept of the modified unrestricted effective-medium refractive index works, its actual value is close to that predicted by the Maxwell-Garnett mixing rule.

Comparison of the angles and corresponding moments in the knee and hip during restricted and unrestricted squats.

PubMed

Lorenzetti, Silvio; Gülay, Turgut; Stoop, Mirjam; List, Renate; Gerber, Hans; Schellenberg, Florian; Stüssi, Edgar

2012-10-01

The aim of this study was to compare the angles and corresponding moments in the knee and hip during squats. Twenty subjects performed restricted and unrestricted squats with barbell loads that were 0, ¼, and ½ their body weight. The experimental setup consisted of a motion capture system and 2 force plates. The moments were calculated using inverse dynamics. During the unrestricted squats, the maximum moments in the knee were significantly higher, and those in the hip were significantly lower than during restricted squats. At the lowest position, the maximum knee flexion angles were approximately 86° for the restricted and approximately 106° for the unrestricted techniques, whereas the maximum hip flexion angle was between 95° and 100°. The higher moments in the hip during restricted squats suggest a higher load of the lower back. Athletes who aim to strengthen their quadriceps should consider unrestricted squats because of the larger knee load and smaller back load.

Cultural and Biological Adaptations to Deprivation: The Northern Ojibwa Case.

ERIC Educational Resources Information Center

Bishop, Charles A.

After the fur trade reached the Ojibwa during the early 17th Century, tribe structure and function rapidly changed. The intensity of social life increased as the Ojibwa and neighboring tribes gathered to exchange fur pelts for European items. Trade became so important that intertribal hostilities arose and an almost unrestrictive slaughter of…

Attitudes of Male Unrestricted Line (URL) Officers Towards Integration of Women into Their Designators and Towards Women in Combat.

DTIC Science & Technology

1983-12-01

APR 1 11984 THESIS D ,. *. ATTITUDES OF MALE UNRESTRICTED LINE (URL) OFFICERS𔃿 TOWARDS INTEGRATION OF WOMEN INTO THEIR DESIGNATORS AND TOWARDS WOMEN... Male Unrestricted Line (URL) Master’s Thesis Officers Towards Integration of Women into their December, 1983 ,- Designators and Towards Women in...Integration of Women sq. AMYRACT (CtMue an rew side i moeep and Idenllifr blekn mb ) Using Rand Survey data, this thesis examines the attitudes of male Unre

An unrestricted diet for uncomplicated diverticulitis is safe: results of a prospective diverticulitis diet study.

PubMed

Stam, M A W; Draaisma, W A; van de Wall, B J M; Bolkenstein, H E; Consten, E C J; Broeders, I A M J

2017-04-01

The optimal diet for uncomplicated diverticulitis is unclear. Guidelines refrain from recommendation due to lack of objective information. The aim of the study was to determine whether an unrestricted diet during a first acute episode of uncomplicated diverticulitis is safe. A prospective cohort study was performed of patients diagnosed with diverticulitis for the first time between 2012 and 2014. Requirements for inclusion were radiologically proven modified Hinchey Ia/b diverticulitis, American Society of Anesthesiologists class I-III and the ability to tolerate an unrestricted diet. Exclusion criteria were the use of antibiotics and suspicion of inflammatory bowel disease or malignancy. All included patients were advised to take an unrestricted diet. The primary outcome parameter was morbidity. Secondary outcome measures were the development of recurrence and ongoing symptoms. There were 86 patients including 37 (43.0%) men. All patients were confirmed to have taken an unrestricted diet. There were nine adverse events in seven patients. These consisted of readmission for pain (five), recurrent diverticulitis (one) and surgery (three) for ongoing symptoms (two) and Hinchey Stage III (one). Seventeen (19.8%) patients experienced continuing symptoms 6 months after the initial episode and 4 (4.7%) experienced recurrent diverticulitis. The incidence of complications among patients taking an unrestricted diet during an initial acute uncomplicated episode of diverticulitis was in line with that reported in the literature. Colorectal Disease © 2016 The Association of Coloproctology of Great Britain and Ireland.

The production of p-cresol sulfate and indoxyl sulfate in vegetarians versus omnivores.

PubMed

Patel, Kajal P; Luo, Frank J-G; Plummer, Natalie S; Hostetter, Thomas H; Meyer, Timothy W

2012-06-01

The uremic solutes p-cresol sulfate (PCS) and indoxyl sulfate (IS) are generated by colon bacteria acting on food components that escape absorption in the small bowel. The production of these potentially toxic compounds may thus be influenced by diet. This study examined whether production of PCS and IS is different in vegetarians and omnivores. The production of PCS and IS was assessed by measuring their urinary excretion rates in participants with normal kidney function. Studies were carried out in 15 vegetarians and 11 individuals consuming an unrestricted diet. Participants recorded food intake over 4 days and collected urine over the final 2 days of each of two study periods, which were 1 month apart. Average PCS excretion was 62% lower (95% confidence interval [95% CI], 15-83) and average IS excretion was 58% lower (95% CI, 39-71) in vegetarians than in participants consuming an unrestricted diet. Food records revealed that lower excretion of PCS and IS in vegetarians was associated with a 69% higher (95% CI, 20-139) fiber intake and a 25% lower (95% CI, 3-42) protein intake. PCS and IS excretion rates varied widely among individual participants and were not closely correlated with each other but tended to remain stable in individual participants over 1 month. PCS and IS production rates are markedly lower in vegetarians than in individuals consuming an unrestricted diet.

GAUSSIAN 76: An ab initio Molecular Orbital Program

DOE R&D Accomplishments Database

Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

1978-01-01

Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

Step 1: Offers All Birthing Mothers Unrestricted Access to Birth Companions, Labor Support, Professional Midwifery Care

PubMed Central

Leslie, Mayri Sagady; Storton, Sharon

2007-01-01

The first step of the Ten Steps of Mother-Friendly Care insures that women have access to a wide variety of support in labor and during the pregnancy and postpartum periods: unrestricted access to birth companions of their choice, including family and friends; unrestricted access to continuous emotional and physical support from a skilled woman such as a doula; and access to midwifery care. The rationales for the importance of each factor and the evidence to support those rationales are presented. PMID:18523678

Bacteria, viruses, and parasites in an intermittent stream protected from and exposed to pasturing cattle: prevalence, densities, and quantitative microbial risk assessment.

PubMed

Wilkes, G; Brassard, J; Edge, T A; Gannon, V; Jokinen, C C; Jones, T H; Neumann, N; Pintar, K D M; Ruecker, N; Schmidt, P J; Sunohara, M; Topp, E; Lapen, D R

2013-10-15

Over 3500 individual water samples, for 131 sampling times, targeting waterborne pathogens/fecal indicator bacteria were collected during a 7-year period from 4 sites along an intermittent stream running through a small livestock pasture system with and without cattle access-to-stream restriction measures. The study assessed the impact of cattle pasturing/riparian zone protection on: pathogen (bacterial, viral, parasite) occurrence, concentrations of fecal indicators, and quantitative microbial risk assessments (QMRA) of the risk of Cryptosporidium, Giardia and Escherichia coli O157:H7 infection in humans. Methodologies were developed to compute QMRA mean risks on the basis of water samples exhibiting potentially human infectious Cryptosporidium and E. coli based on genotyping Crytosporidium, and E. coli O157:H7 presence/absence information paired with enumerated E. coli. All Giardia spp. were considered infectious. No significant pasturing treatment effects were observed among pathogens, with the exception of Campylobacter spp. and E. coli O157:H7. Campylobacter spp. prevalence significantly decreased downstream through pasture treatments and E. coli O157:H7 was observed in a few instances in the middle of the unrestricted pasture. Densities of total coliform, fecal coliform, and E. coli reduced significantly downstream in the restricted pasture system, but not in the unrestricted system. Seasonal and flow conditions were associated with greater indicator bacteria densities, especially in the summer. Norovirus GII was detected at rates of 7-22% of samples for all monitoring sites, and rotavirus in 0-7% of samples for all monitoring sites; pasture treatment trends were not evident, however. Seasonal and stream flow variables (and their interactions) were relatively more important than pasture treatments for initially stratifying pathogen occurrence and higher fecal indicator bacteria densities. Significant positive associations among fecal indicator bacteria and Campylobacter spp. detection were observed. For QMRA, adjusting for the proportion of Cryptosporidium spp. detected that are infectious for humans reduces downstream risk estimates by roughly one order of magnitude. Using QMRA in this manner provides a more refined estimate of beneficial management practice effects on pathogen exposure risks to humans. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Oil and gas development influences big-game hunting in Wyoming

USGS Publications Warehouse

Dorning, Monica; Garman, Steven L.; Diffendorfer, James E.; Semmens, Darius J.; Hawbaker, Todd J.; Bagstad, Kenneth J.

2017-01-01

Development from extracting oil and gas resources can have unintended effects on multiple ecosystem functions, with cascading effects on wildlife, ecosystem services, and local economies. Big-game hunting opportunities may be closely related to these effects, but empirical analyses of impacts of energy development on hunting are limited. We examined the influence of oil and gas development density on harvest efficiency, or harvest per unit of hunter effort, within all hunt areas in Wyoming, USA, from 2008 to 2014 for 3 big-game species: elk (Cervus canadensis), mule deer (Odocoileus hemionus), and pronghorn (Antilocapra americana). Using harvest/hunter day as the response variable, we compared linear mixed-effects models for each species that included total well density (i.e., all wells constructed up to the year of record), active well density (i.e., only those wells currently producing oil or gas in that year), or neither as a predictor variable. We used well densities as indicators of development in the absence of data specifying the locations of other oil and gas infrastructure (e.g., roads, well pads). Models also accounted for the fixed effects of road density, hunter density, proportion of the area that is public land with unrestricted hunter access, proportion of the area that is forested, year of observation, and random effects of variation among hunt areas nested within associated game herd units. Presence of oil and gas wells had a positive influence on harvest efficiency for elk and mule deer. Although there was no overall effect to pronghorn, there was a negative influence of wells on juvenile pronghorn harvest efficiency. Changes in harvest efficiency due to expanding oil and gas development could alter the time spent hunting by hunters and their chances of harvesting an animal. This could have subsequent impacts on hunter satisfaction, game populations, and economic revenue generated from recreational hunters.

Dog ownership, abundance and potential for bat-borne rabies spillover in Chile.

PubMed

Astorga, F; Escobar, L E; Poo-Muñoz, D A; Medina-Vogel, G

2015-03-01

Rabies is a viral infectious disease that affects all mammals, including humans. Factors associated with the incidence of rabies include the presence and density of susceptible hosts and potential reservoirs. Currently, Chile is declared free of canine-related rabies, but there is an overpopulation of dogs within the country and an emergence of rabies in bats. Our objectives are to determine potential areas for bat-borne rabies spillover into dog populations expressed as a risk map, and to explore some key features of dog ownership, abundance, and management in Chile. For the risk map, our variables included a dog density surface (dog/km(2)) and a distribution model of bat-borne rabies presence. From literature review, we obtained dog data from 112 municipalities, which represent 33% of the total municipalities (339). At country level, based on previous studies the median human per dog ratio was 4.8, with 64% of houses containing at least one dog, and a median of 0.9 dog per house. We estimate a national median of 5.3 dog/km(2), and a median of 3680 dogs by municipality, from which we estimate a total population of 3.5×10(6) owned dogs. The antirabies vaccination presented a median of 21% of dogs by municipality, and 29% are unrestricted to some degree. Human per dog ratio have a significant (but weak) negative association with human density. Unrestricted dogs have a negative association with human density and income, and a positive association with the number of dogs per house. Considering dog density by municipality, and areas of potential bat-borne rabies occurrence, we found that 163 (∼48%) of Chilean municipalities are at risk of rabies spillover from bats to dogs. Risk areas are concentrated in urban settlements, including Santiago, Chile's capital. To validate the risk map, we included cases of rabies in dogs from the last 27 years; all fell within high-risk areas of our map, confirming the assertive risk prediction. Our results suggest that the use of dog population parameters may be informative to determine risk areas for bat-rabies spillover events. In addition, we confirm that dog abundance is a neglected and emerging public health concern in Chile, particularly within urban areas, which deserves prompt intervention. Copyright © 2015. Published by Elsevier B.V.

Simulation study of a geometric shape factor technique for estimating earth-emitted radiant flux densities from wide-field-of-view radiation measurements

NASA Technical Reports Server (NTRS)

Weaver, W. L.; Green, R. N.

1980-01-01

Geometric shape factors were computed and applied to satellite simulated irradiance measurements to estimate Earth emitted flux densities for global and zonal scales and for areas smaller than the detector field of view (FOV). Wide field of view flat plate detectors were emphasized, but spherical detectors were also studied. The radiation field was modeled after data from the Nimbus 2 and 3 satellites. At a satellite altitude of 600 km, zonal estimates were in error 1.0 to 1.2 percent and global estimates were in error less than 0.2 percent. Estimates with unrestricted field of view (UFOV) detectors were about the same for Lambertian and limb darkening radiation models. The opposite was found for restricted field of view detectors. The UFOV detectors are found to be poor estimators of flux density from the total FOV and are shown to be much better as estimators of flux density from a circle centered at the FOV with an area significantly smaller than that for the total FOV.

The Six-Food Elimination Diet for Eosinophilic Esophagitis Increases Grocery Shopping Cost and Complexity.

PubMed

Asher Wolf, W; Huang, Kevin Z; Durban, Raquel; Iqbal, Zahra J; Robey, Benjamin S; Khalid, Farah J; Dellon, Evan S

2016-12-01

The six-food elimination diet (SFED), where dairy, wheat, eggs, soy, nuts, and seafood are avoided, is an effective treatment for eosinophilic esophagitis (EoE). Patient-related costs of this approach, however, are unknown. We aimed to assess the cost of and ease of shopping for an SFED compared to an unrestricted diet. A dietitian with expertise in EoE generated menus meeting dietary requirements for a week's worth of meals for the SFED and an unrestricted diet. We compared prices and the number of missing items for both diets at standard and specialty grocery stores. The average weekly price of the SFED at a standard supermarket was $92.54 compared to $79.84 for an unrestricted diet (p = 0.0001). A patient shopping at a standard grocery store needed a higher proportion of items from a second store compared to an unrestricted diet (32 vs. 3 %, p = 0.0001). The prices of the SFED and unrestricted diet using a specialty supermarket were comparable ($106.47 vs. $105.96, p = 0.81), as was the percentage of items requiring a trip to a second store (6 vs. 2 % items, p = 0.03). Shopping at a specialty grocery store increased weekly grocery costs by $13.93 (p = 0.04) for the SFED and $26.12 (p = 0.03) for the unrestricted diet. In conclusion, for patients shopping at standard grocery stores, the cost of an SFED is higher, and an SFED requires more items from a second store. These differences disappear at specialty grocery stores, but costs were significantly higher. This cost and logistical burden can inform patients when selecting dietary therapy.

Kinematics of the trunk and the lower extremities during restricted and unrestricted squats.

PubMed

List, Renate; Gülay, Turgut; Stoop, Mirjam; Lorenzetti, Silvio

2013-06-01

Squatting is a common strength training exercise used for rehabilitation, fitness training, and in preparation for competition. Knowledge about the loading and the motion of the back during the squat exercise is crucial to avoid overuse or injury. The aim of this study was the measurement and comparison of the kinematics of the lower leg, trunk, and spine during unrestricted and restricted (knees are not allowed beyond toes) squats. A total of 30 subjects performed unrestricted and restricted barbell squats with an extra load of 0, 25, and 50% bodyweight. Motion was tracked using a 12-camera Vicon system. A newly developed marker set with 24 trunk and 7 pelvic markers allowed us to measure 3D segmental kinematics between the pelvic and the lumbar regions, between the lumbar and the thoracic segments, and the sagittal curvatures of the lumbar and the thoracic spine. In an unrestricted squat, the angle of the knee is larger and the range of motion (ROM) between the lumbar and the thoracic segments is significantly smaller compared with a restricted squat (p < 0.05). The studied subjects showed significantly increased ROM for thoracic curvature during restricted squats. The unrestricted execution of a squat leads to a larger ROM in the knee and smaller changes in the curvature of the thoracic spine and the range of smaller segmental motions within the trunk. This execution in turn leads to lower stresses in the back. To strengthen the muscles of the leg, the unrestricted squat may be the best option for most people. Thus, practitioners should not be overly strict in coaching against anterior knee displacement during performance of the squat.

Restricted vs. unrestricted wheel running in mice: Effects on brain, behavior and endocannabinoids.

PubMed

Biedermann, Sarah V; Auer, Matthias K; Bindila, Laura; Ende, Gabriele; Lutz, Beat; Weber-Fahr, Wolfgang; Gass, Peter; Fuss, Johannes

2016-11-01

Beneficial effects of voluntary wheel running on hippocampal neurogenesis, morphology and hippocampal-dependent behavior have widely been studied in rodents, but also serious side effects and similarities to stereotypy have been reported. Some mouse strains run excessively when equipped with running wheels, complicating the comparability to human exercise regimes. Here, we investigated how exercise restriction to 6h/day affects hippocampal morphology and metabolism, stereotypic and basal behaviors, as well as the endocannabinoid system in wheel running C57BL/6 mice; the strain most commonly used for behavioral analyses and psychiatric disease models. Restricted and unrestricted wheel running had similar effects on immature hippocampal neuron numbers, thermoregulatory nest building and basal home-cage behaviors. Surprisingly, hippocampal gray matter volume, assessed with magnetic resonance (MR) imaging at 9.4 Tesla, was only increased in unrestricted but not in restricted runners. Moreover, unrestricted runners showed less stereotypic behavior than restricted runners did. However, after blockage of running wheels for 24h stereotypic behavior also increased in unrestricted runners, arguing against a long-term effect of wheel running on stereotypic behavior. Stereotypic behaviors correlated with frontal glutamate and glucose levels assessed by 1 H-MR spectroscopy. While acute running increased plasma levels of the endocannabinoid anandamide in former studies in mice and humans, we found an inverse correlation of anandamide with the daily running distance after long-term running. In conclusion, although there are some diverging effects of restricted and unrestricted running on brain and behavior, restricted running does not per se seem to be a better animal model for aerobic exercise in mice. Copyright © 2016 Elsevier Inc. All rights reserved.

Theoretical study of diaquamalonatozinc(II) single crystal for applications in non-linear optical devices

NASA Astrophysics Data System (ADS)

Chakraborty, Mitesh; Rai, Vineet Kumar

2017-12-01

The aim of the present paper is to employ theoretical methods to investigate the zero field splitting (ZFS) parameter and to investigate the position of the dopant in the host. These theoretical calculations have been compared with the empirical results. The superposition model (SPM) with the microscopic spin-Hamiltonian (MSH) theory and the coefficient of fractional parentage have been employed to investigate the dopant manganese(II) ion substitution in the diaquamalonatozinc(II) (DAMZ) single crystal. The magnetic parameters, viz. g-tensor and D-tensor, has been determined by using the ORCA program package developed by F Neese et al. The unrestricted Kohn-Sham orbitals-based Pederson-Khanna (PK) as the unperturbed wave function is observed to be the most suitable for the computational calculation of spin-orbit tensor (D^{SO}) of the axial ZFS parameter D. The effects of spin-spin dipolar couplings are taken into account. The unrestricted natural orbital (UNO) is used for the calculation of spin-spin dipolar contributions to the ZFS tensor. A comparative study of the quantum mechanical treatment of Pederson-Khanna (PK) with coupled perturbation (CP) is reported in the present study. The unrestricted Kohn-Sham-based natural orbital with Pederson-Khanna-type of perturbation approach validates the experimental results in the evaluation of ZFS parameters. The theoretical results are appropriate with the experimental ones and indicate the interstitial occupancy of Mn^{2+} ion in the host matrix.

The general public's willingness to pay for tax increases to support unrestricted access to an Alzheimer's disease medication.

PubMed

Oremus, Mark; Tarride, Jean-Eric; Raina, Parminder; Thabane, Lehana; Foster, Gary; Goldsmith, Charlie H; Clayton, Natasha

2012-11-01

Alzheimer's disease (AD) is a neurodegenerative disorder highlighted by progressive declines in cognitive and functional abilities. Our objective was to assess the general public's maximum willingness to pay ((M)WTP) for an increase in annual personal income taxes to fund unrestricted access to AD medications. We randomly recruited 500 Canadians nationally and used computer-assisted telephone interviewing to administer a questionnaire. The questionnaire contained four 'efficacy' scenarios describing an AD medication as capable of symptomatically treating cognitive decline or modifying disease progression. The scenarios also described the medication as having no adverse effects or a 30% chance of adverse effects. We randomized participants to order of scenarios and willingness-to-pay bid values; (M)WTP for each scenario was the highest accepted bid for that scenario. We conducted linear regression and bootstrap sensitivity analyses to investigate potential determinants of (M)WTP. Mean (M)WTP was highest for the 'disease modification/no adverse effects' scenario ($Can130.26) and lowest for the 'symptomatic treatment/30% chance of adverse effects' scenario ($Can99.16). Bootstrap analyses indicated none of our potential determinants (e.g. age, sex) were associated with participants' (M)WTP. The general public is willing to pay higher income taxes to fund unrestricted access to AD (especially disease-modifying) medications. Consequently, the public should favour placing new AD medications on public drug plans. As far as we are aware, no other study has elicited the general public's willingness to pay for AD medications.

Neither fixed nor random: weighted least squares meta-analysis.

PubMed

Stanley, T D; Doucouliagos, Hristos

2015-06-15

This study challenges two core conventional meta-analysis methods: fixed effect and random effects. We show how and explain why an unrestricted weighted least squares estimator is superior to conventional random-effects meta-analysis when there is publication (or small-sample) bias and better than a fixed-effect weighted average if there is heterogeneity. Statistical theory and simulations of effect sizes, log odds ratios and regression coefficients demonstrate that this unrestricted weighted least squares estimator provides satisfactory estimates and confidence intervals that are comparable to random effects when there is no publication (or small-sample) bias and identical to fixed-effect meta-analysis when there is no heterogeneity. When there is publication selection bias, the unrestricted weighted least squares approach dominates random effects; when there is excess heterogeneity, it is clearly superior to fixed-effect meta-analysis. In practical applications, an unrestricted weighted least squares weighted average will often provide superior estimates to both conventional fixed and random effects. Copyright © 2015 John Wiley & Sons, Ltd.

Digital Scholarship and Open Access

ERIC Educational Resources Information Center

Losoff, Barbara; Pence, Harry E.

2010-01-01

Open access publications provide scholars with unrestricted access to the "conversation" that is the basis for the advancement of knowledge. The large number of open access journals, archives, and depositories already in existence demonstrates the technical and economic viability of providing unrestricted access to the literature that is the…

A derivation of the Cramer-Rao lower bound of euclidean parameters under equality constraints via score function

NASA Astrophysics Data System (ADS)

Susyanto, Nanang

2017-12-01

We propose a simple derivation of the Cramer-Rao Lower Bound (CRLB) of parameters under equality constraints from the CRLB without constraints in regular parametric models. When a regular parametric model and an equality constraint of the parameter are given, a parametric submodel can be defined by restricting the parameter under that constraint. The tangent space of this submodel is then computed with the help of the implicit function theorem. Finally, the score function of the restricted parameter is obtained by projecting the efficient influence function of the unrestricted parameter on the appropriate inner product spaces.

Comparison of the Availability and Cost of Foods Compatible With a Renal Diet Versus an Unrestricted Diet Using the Nutrition Environment Measures Survey.

PubMed

Sullivan, Catherine M; Pencak, Julie A; Freedman, Darcy A; Huml, Anne M; León, Janeen B; Nemcek, Jeanette; Theurer, Jacqueline; Sehgal, Ashwini R

2017-05-01

Hemodialysis patients' ability to access food that is both compatible with a renal diet and affordable is affected by the local food environment. Comparisons of the availability and cost of food items suitable for the renal diet versus a typical unrestricted diet were completed using the standard Nutrition Environment Measures Survey and a renal diet-modified Nutrition Environment Measures Survey. Cross-sectional study. Twelve grocery stores in Northeast Ohio. Availability and cost of food items in 12 categories. The mean total number of food items available differed significantly (P ≤ .001) between the unrestricted diet (38.9 ± 4.5) and renal diet (32.2 ± 4.7). The mean total cost per serving did not differ significantly (P = 0.48) between the unrestricted diet ($5.67 ± 2.50) and renal diet ($5.76 ± 2.74). The availability of renal diet food items is significantly less than that of unrestricted diet food items, but there is no difference in the cost of items that are available in grocery stores. Further work is needed to determine how to improve the food environment for patients with chronic diseases. Copyright © 2017 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.

Critical soil bulk density for soybean growth in Oxisols

NASA Astrophysics Data System (ADS)

Keisuke Sato, Michel; Veras de Lima, Herdjania; Oliveira, Pedro Daniel de; Rodrigues, Sueli

2015-10-01

The aim of this study was to evaluate the critical soil bulk density from the soil penetration resistance measurements for soybean root growth in Brazilian Amazon Oxisols. The experiment was carried out in a greenhouse using disturbed soil samples collected from the northwest of Para characterized by different texture. The treatments consisted of a range of soil bulk densities for each soil textural class. Three pots were used for soybean growth of and two for the soil penetration resistance curve. From the fitted model, the critical soil bulk density was determined considering the penetration resistance values of 2 and 3 MPa. After sixty days, plants were cut and root length, dry mass of root, and dry mass of shoots were determined. At higher bulk densities, the increase in soil water content decreased the penetration resistance, allowing unrestricted growth of soybean roots. Regardless of soil texture, the penetration resistance of 2 and 3 MPa had a slight effect on root growth in soil moisture at field capacity and a reduction of 50% in the soybean root growth was achieved at critical soil bulk density of 1.82, 1.75, 1.51, and 1.45 Mg m-3 for the sandy loam, sandy clay loam, clayey, and very clayey soil.

9 CFR 95.5 - Untanned hides and skins; requirements for unrestricted entry.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Untanned hides and skins; requirements for unrestricted entry. 95.5 Section 95.5 Animals and Animal Products ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE EXPORTATION AND IMPORTATION OF ANIMALS (INCLUDING POULTRY) AND...

9 CFR 95.9 - Glue stock; requirements for unrestricted entry.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 9 Animals and Animal Products 1 2011-01-01 2011-01-01 false Glue stock; requirements for unrestricted entry. 95.9 Section 95.9 Animals and Animal Products ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE EXPORTATION AND IMPORTATION OF ANIMALS (INCLUDING POULTRY) AND ANIMAL PRODUCTS...

9 CFR 95.9 - Glue stock; requirements for unrestricted entry.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Glue stock; requirements for unrestricted entry. 95.9 Section 95.9 Animals and Animal Products ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE EXPORTATION AND IMPORTATION OF ANIMALS (INCLUDING POULTRY) AND ANIMAL PRODUCTS...

The Financing of Mississippi Public Junior Colleges.

ERIC Educational Resources Information Center

Moody, George V.

Focusing primarily on current unrestricted and restricted funds, auxiliary funds, and plant funds, this report explains and provides historical and current data on the revenues and expenditures of the public junior colleges in Mississippi. The first section examines current unrestricted and restricted funds, indicating that the total revenues and…

10 CFR 20.1402 - Radiological criteria for unrestricted use.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 1 2014-01-01 2014-01-01 false Radiological criteria for unrestricted use. 20.1402 Section 20.1402 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION... exceed 25 mrem (0.25 mSv) per year, including that from groundwater sources of drinking water, and that...

10 CFR 20.1402 - Radiological criteria for unrestricted use.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 1 2013-01-01 2013-01-01 false Radiological criteria for unrestricted use. 20.1402 Section 20.1402 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION... exceed 25 mrem (0.25 mSv) per year, including that from groundwater sources of drinking water, and that...

10 CFR 20.1402 - Radiological criteria for unrestricted use.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Radiological criteria for unrestricted use. 20.1402 Section 20.1402 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION... exceed 25 mrem (0.25 mSv) per year, including that from groundwater sources of drinking water, and that...

10 CFR 20.1402 - Radiological criteria for unrestricted use.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Radiological criteria for unrestricted use. 20.1402 Section 20.1402 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION... exceed 25 mrem (0.25 mSv) per year, including that from groundwater sources of drinking water, and that...

10 CFR 20.1402 - Radiological criteria for unrestricted use.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 1 2012-01-01 2012-01-01 false Radiological criteria for unrestricted use. 20.1402 Section 20.1402 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION... exceed 25 mrem (0.25 mSv) per year, including that from groundwater sources of drinking water, and that...

48 CFR 19.502-2 - Total small business set-asides.

Code of Federal Regulations, 2010 CFR

2010-10-01

... purchases on an unrestricted basis, the contracting officer shall include in the contract file the reason for this unrestricted purchase. If the contracting officer receives only one acceptable offer from a... important, it is not the only factor to be considered in determining whether a reasonable expectation exists...

32 CFR 635.28 - Procedures for restricted/unrestricted reporting in sexual assault cases.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 32 National Defense 4 2012-07-01 2011-07-01 true Procedures for restricted/unrestricted reporting in sexual assault cases. 635.28 Section 635.28 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) LAW ENFORCEMENT AND CRIMINAL INVESTIGATIONS LAW ENFORCEMENT REPORTING...

32 CFR 635.28 - Procedures for restricted/unrestricted reporting in sexual assault cases.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 32 National Defense 4 2011-07-01 2011-07-01 false Procedures for restricted/unrestricted reporting in sexual assault cases. 635.28 Section 635.28 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) LAW ENFORCEMENT AND CRIMINAL INVESTIGATIONS LAW ENFORCEMENT REPORTING...

32 CFR 635.28 - Procedures for restricted/unrestricted reporting in sexual assault cases.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 32 National Defense 4 2010-07-01 2010-07-01 true Procedures for restricted/unrestricted reporting in sexual assault cases. 635.28 Section 635.28 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) LAW ENFORCEMENT AND CRIMINAL INVESTIGATIONS LAW ENFORCEMENT REPORTING...

32 CFR 635.28 - Procedures for restricted/unrestricted reporting in sexual assault cases.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 32 National Defense 4 2013-07-01 2013-07-01 false Procedures for restricted/unrestricted reporting in sexual assault cases. 635.28 Section 635.28 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) LAW ENFORCEMENT AND CRIMINAL INVESTIGATIONS LAW ENFORCEMENT REPORTING...

32 CFR 635.28 - Procedures for restricted/unrestricted reporting in sexual assault cases.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 32 National Defense 4 2014-07-01 2013-07-01 true Procedures for restricted/unrestricted reporting in sexual assault cases. 635.28 Section 635.28 National Defense Department of Defense (Continued) DEPARTMENT OF THE ARMY (CONTINUED) LAW ENFORCEMENT AND CRIMINAL INVESTIGATIONS LAW ENFORCEMENT REPORTING...

PubMed

Cruz, Carina Rebello; Finger, Ingrid

2013-07-01

This study investigates the phonological acquisition of Brazilian Portuguese (BP) by a group of 24 bimodal bilingual hearing children, who have unrestricted access to Brazilian Sign Language (Libras), and a group of 6 deaf children, who use cochlear implants (CI), with restricted or unrestricted access to Libras. The children's phonological system of BP was assessed through the Naming Task (Part A) of the ABFW - Children Language Test (ANDRADE et al. 2004). The results revealed that the hearing children and the deaf child who use CI, all with full access to Libras, showed expected (normal) phonological acquisition considering their age groups. We consider that the early acquisition and unrestricted access to Libras may have determined these children's performance in the oral tests.

The unrestricted local properties: application in nanoelectronics and for predicting radicals reactivity.

PubMed

Dral, Pavlo O

2014-03-01

The local electron affinity (EA(L)) and the local ionization energy (IE(L)) are successfully used for predicting properties of closed-shell species for drug design and for nanoelectronics. Here the respective unrestricted Hartree-Fock variants of EA(L) and IE(L), i.e., the unrestricted local electron affinity (UHF-EA(L)) and ionization energy (UHF-IE(L)), have been shown to be useful for predicting properties of open-shell species. UHF-EA(L) and UHF-IE(L) have been applied for explaining unique electronic properties of an exemplary nanomaterial carbon peapod. It is also demonstrated that UHF-EA(L) is useful for predicting and better understanding reactivity of radicals related to alkanes activation.

19 CFR 12.96 - Imports unrestricted under the Act.

Code of Federal Regulations, 2010 CFR

2010-04-01

... OF THE TREASURY SPECIAL CLASSES OF MERCHANDISE Switchblade Knives § 12.96 Imports unrestricted under the Act. (a) Common and special purpose knives. Imported knives with a blade style designed for a... in condition as entered the imported knife is not a switchblade knife as defined in § 12.95(a)(1...

32 CFR 105.13 - Case management for Unrestricted Reports of sexual assault.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 32 National Defense 1 2014-07-01 2014-07-01 false Case management for Unrestricted Reports of sexual assault. 105.13 Section 105.13 National Defense Department of Defense OFFICE OF THE SECRETARY OF DEFENSE PERSONNEL, MILITARY AND CIVILIAN SEXUAL ASSAULT PREVENTION AND RESPONSE PROGRAM PROCEDURES § 105...

32 CFR 105.13 - Case management for Unrestricted Reports of sexual assault.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 32 National Defense 1 2013-07-01 2013-07-01 false Case management for Unrestricted Reports of sexual assault. 105.13 Section 105.13 National Defense Department of Defense OFFICE OF THE SECRETARY OF DEFENSE PERSONNEL, MILITARY AND CIVILIAN SEXUAL ASSAULT PREVENTION AND RESPONSE PROGRAM PROCEDURES § 105...

Unrestricted and Restricted Access to Sugammadex and Side Effect Profile in a Teaching Hospital Centre for Year 2014- Database Audit Study.

PubMed

Rao Kadam, Vasanth; Howell, Stuart

2018-02-01

Sugammadex is used for the rapid reversal of neuro muscular block. It was used on an unrestricted basis in our facility prior to July 2014 but has subsequently been restricted due to the removal of cost subsidies. Our aim is to determine the impact of restricting the use of Sugammadex on clinical outcomes. A retrospective audit was conducted for the period January 1st to December 31st 2014. Sugammadex use was unrestricted during the first 6 months of this period and restricted over the following period. Patients who had endotracheal intubation for any surgery were included in the audit. Non- intubated patients, patients with incomplete data and patients who were intubated and transferred to the intensive care unit were excluded. The Operating Room Information System and medical records were used to obtain information on the operating theatre time, post-anesthesia care unit time and side effects such as postoperative nausea and vomiting, oxygen-de-saturation during recovery and anaphylaxis; Sugammadex usage and cost data obtained from the hospital pharmacy. 1347 and 1302 patients were included for the unrestricted and restricted periods, respectively. There were no significant differences between the time periods with respect to patient characteristics (Age, ASA) or side effects (oxygen de-saturation, nausea). While mean time in theatre was similar across the time periods, mean recovery time was significantly longer during the restricted period (P < 0.0001). One case of anaphylaxis was reported during the restricted period while no cases occurred during the unrestricted period. Median Sugammadex dose was 200 mg and its usage dropped by 54% in the restricted time. The cost of sugammadex was $180 AUD and Neostigmine $1.80 AUD. Though unrestricting Sugammadex reduced recovery time but has had minimal impact on other clinical outcomes. Neostigmine represents a cheaper alternative and its use remains standard practice in our facility.

Crowding during restricted and free viewing

PubMed Central

Wallace, Julian M.; Chiu, Michael K.; Nandy, Anirvan S.; Tjan, Bosco S.

2013-01-01

Crowding impairs the perception of form in peripheral vision. It is likely to be a key limiting factor of form vision in patients without central vision. Crowding has been extensively studied in normally sighted individuals, typically with a stimulus duration of a few hundred milliseconds to avoid eye movements. These restricted testing conditions do not reflect the natural behavior of a patient with central field loss. Could unlimited stimulus duration and unrestricted eye movements change the properties of crowding in any fundamental way? We studied letter identification in the peripheral vision of normally sighted observers in three conditions: (i) a fixation condition with a brief stimulus presentation of 250 ms, (ii) another fixation condition but with an unlimited viewing time, and (iii) an unrestricted eye movement condition with an artificial central scotoma and an unlimited viewing time. In all conditions, contrast thresholds were measured as a function of target-to-flanker spacing, from which we estimated the spatial extent of crowding in terms of critical spacing. We found that presentation duration beyond 250 ms had little effect on critical spacing with stable gaze. With unrestricted eye movements and a simulated central scotoma, we found a large variability in critical spacing across observers, but more importantly, the variability in critical spacing was well correlated with the variability in target eccentricity. Our results assure that the large body of findings on crowding made with briefly presented stimuli remains relevant to conditions where viewing time is unconstrained. Our results further suggest that impaired oculomotor control associated with central vision loss can confound peripheral form vision beyond the limits imposed by crowding. PMID:23563172

Effects of environmental factors and appendage injury on the wing variation in the cricket Velarifictorus ornatus.

PubMed

Zhao, Lü-Quan; Zhu, Dao-Hong

2014-01-01

The effects of environmental factors and appendage injury on the wing variation in Velarifictorus ornatus (Shiraki) (Orthoptera: Gryllidae) were investigated. The percentage of micropters was more than 95% when the nymphs were reared at constant photoperiods, and changing photoperiod did not affect wing variation in V. ornatus at 25 or 30°C. In the crowding experiment, the percentage of macropters was only 11.2% when the nymphs were reared separately at 25°C. In contrast, the percentage of macropters was significantly higher when the rearing density was increased to two nymphs per container and lower when the rearing density was increased to five or 10 nymphs per container. These results indicate that low and high rearing densities induce micropters, but intermediate rearing density stimulates the formation of macropters. Meanwhile, severance of appendages, such as antennae, femora, and tibiae, in the nymph stage exerted a micropterizing effect. The period sensitive to such stresses ranged from 35 to 60 days of nymph development. This is an open access paper. We use the Creative Commons Attribution 3.0 license that permits unrestricted use, provided that the paper is properly attributed.

9 CFR 95.7 - Wool, hair, and bristles; requirements for unrestricted entry.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Wool, hair, and bristles; requirements for unrestricted entry. 95.7 Section 95.7 Animals and Animal Products ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE EXPORTATION AND IMPORTATION OF ANIMALS (INCLUDING POULTRY) AND ANIMAL PRODUCTS SANITARY CONTROL OF ANIMAL...

Identification and Small Sample Estimation of Thurstone's Unrestricted Model for Paired Comparisons Data

ERIC Educational Resources Information Center

Maydeu-Olivares, Alberto; Hernandez, Adolfo

2007-01-01

The interpretation of a Thurstonian model for paired comparisons where the utilities' covariance matrix is unrestricted proved to be difficult due to the comparative nature of the data. We show that under a suitable constraint the utilities' correlation matrix can be estimated, yielding a readily interpretable solution. This set of identification…

9 CFR 95.7 - Wool, hair, and bristles; requirements for unrestricted entry.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 9 Animals and Animal Products 1 2012-01-01 2012-01-01 false Wool, hair, and bristles; requirements... ENTRY INTO THE UNITED STATES § 95.7 Wool, hair, and bristles; requirements for unrestricted entry. Wool, hair, or bristles derived from ruminants and/or swine which do not meet the conditions or requirements...

9 CFR 95.7 - Wool, hair, and bristles; requirements for unrestricted entry.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 9 Animals and Animal Products 1 2013-01-01 2013-01-01 false Wool, hair, and bristles; requirements... ENTRY INTO THE UNITED STATES § 95.7 Wool, hair, and bristles; requirements for unrestricted entry. Wool, hair, or bristles derived from ruminants and/or swine which do not meet the conditions or requirements...

9 CFR 95.7 - Wool, hair, and bristles; requirements for unrestricted entry.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 9 Animals and Animal Products 1 2011-01-01 2011-01-01 false Wool, hair, and bristles; requirements... ENTRY INTO THE UNITED STATES § 95.7 Wool, hair, and bristles; requirements for unrestricted entry. Wool, hair, or bristles derived from ruminants and/or swine which do not meet the conditions or requirements...

Protected Chloroethyl and Chloropropyl Amines as Conformationally Unrestricted Annulating Reagents.

PubMed

Shi, Qing; Meehan, Mariah C; Galella, Michael; Park, Hyunsoo; Khandelwal, Purnima; Hynes, John; Dhar, T G Murali; Marcoux, David

2018-01-19

The purpose of this letter is to document the use of protected chloroethyl and chloropropyl amines as conformationally unrestricted ambiphilic reagents that undergo annulation reactions with Michael acceptors. This reaction is wide in scope and utilizes reagents that are commercially available, inexpensive, and stable. Furthermore, this reaction is easy to execute and proceeds rapidly.

CSER 99-002: CSER for unrestricted moderation of sludge material with two-boat operations in gloveboxes HC-21A and HC21-C

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

LAN, J.S.

1999-04-29

This Criticality Safety Evaluation Report was prepared by Fluor Daniel Northwest under contract to BWHC. This document establishes the criticality safety parameters for unrestricted moderation of Sludge material with two-boat operations in gloveboxes HC-21A and HC-21C.

Effect of laminated hydroxyapatite/gelatin nanocomposite scaffold structure on osteogenesis using unrestricted somatic stem cells in rat.

PubMed

Tavakol, Shima; Azami, Mahmoud; Khoshzaban, Ahad; Ragerdi Kashani, Iraj; Tavakol, Behnaz; Hoveizi, Elham; Rezayat Sorkhabadi, Seyed Mahdi

2013-11-01

Bone matrix consists of two major phases at the nanoscale: organic and hydroxyapatite. Nanotechnology as a diverse and interdisciplinary area of research has the capacity to revolutionise many areas of applications such as bone tissue engineering. Nanohydroxyapatite/gelatin composite has higher osteoblast attachment and proliferation than micro-sized ones, and shorter culturing period and lower cell seeding density compared to pure gelatin. A nanostructured scaffold was fabricated by three methods for bone repair using nanohydroxyapatite and gelatin as the main components. Its biocompatibility, alizarin red test on the 14th and 21st days, gene expression on the 21st day in in vitro using and histomorphometry after 4 and 8 weeks post-implantation in the rat were investigated. Cultured unrestricted somatic stem cells used for in vitro study showed an excellent level of cell attachment to the scaffold. Cells induced more osteoblast differentiation on the scaffold than in 2D cell culture. Osteoblast differentiation and bone regeneration results of in vitro and in vivo investigation on scaffold were extremely significant, better than control and treatment groups. These effects could be attributed to the shape and size of nanoHA particles and good architecture of the scaffold. The results confirm the feasibility of bone regeneration using synthesised scaffold as a temporary bone substitute. © 2013 International Federation for Cell Biology.

Should return to sport be delayed until two years after anterior cruciate ligament reconstruction? Biological and functional considerations

PubMed Central

Nagelli, Christopher V.; Hewett, Timothy E.

2016-01-01

Anterior cruciate ligament (ACL) tears are common knee injuries sustained by athletes during sports participation. A devastating complication of returning to sport following ACL reconstruction (ACLR) is a second ACL injury. Strong evidence now indicates that younger, more active athletes are at particularly high risk for a second ACL injury and this risk is greatest within the first two years following ACLR. Nearly one-third of the younger cohort that resumes sports participation will sustain a second ACL injury within the first two years after ACLR. The evidence indicates that the risk of second injury may abate over this time period. The incidence rate of second injuries in the first year after ACLR is significantly greater than the rate in the second year. The lower relative risk in the second year may be related to athletes achieving baseline joint health and function well after the current expected timeline (6 to 12 months) to be released to unrestricted activity. This highlights a considerable debate in the return to sport decision process as to whether an athlete should wait until two years after ACLR to return to unrestricted, sports activity. In this review, we present evidence in the literature that athletes achieve baseline joint health and function approximately two years after ACLR. We postulate that delay in returning to sports for nearly two years will significantly reduce the incidence of second ACL injuries. PMID:27402457

Cyclometalated gold(III) trioxadiborrin complexes: studies of the bonding and excited states.

PubMed

Ayoub, Nicholas A; Browne, Amberle R; Anderson, Bryce L; Gray, Thomas G

2016-03-07

Trioxadiborrins are chelating ligands that assemble in dehydration reactions of boronic acids. They are structurally related to β-diketonate ligands, but have a 2-charge. Little is known of the bonding properties of trioxadiborrin ligands. Presented here are density-functional theory (DFT) studies of cyclometalated gold(III) trioxadiborrins. Substituent effects are evaluated, and comparison is made to the cyclometalating 2-(4-tolyl)pyridine (tpy) ligand on gold. The tpy ligand binds more strongly than any trioxadiborrin ligand considered here, and the two ligands bind competitively to gold. The 1,3-diphenyl trioxadiborrin ligand of 1 has a larger absolute binding enthalpy to gold than its β-diketonate analogue. Conjugation between boron and aryl substituents delocalizes charge and attenuates the trioxadiborrin's binding capacity. Steric effects that disrupt conjugation between boron and aryl substituents cause the trioxadiborrin to chelate more tightly. Fragment bond orders are divided into in-plane and out-of-plane contributions for square planar 1. In-plane bonding accounts for 88% of bond order between (tpy)Au2+ and the trioxadiborrin ligand. Cyclometalated gold(III) trioxadiborrin complexes were previously shown to be phosphorescent. Spin-unrestricted triplet-state geometry optimizations find that the ten largest excited-state distortions all occur on the tpy ligand. A plot of spin density in triplet 1 shows spin to reside predominantly on tpy. The 77 K luminescence spectrum of 1 is reported here. Time-dependent DFT and configuration interaction singles calculations (corrected for doubles excitations) overestimate the emission energy by ∼ 0.12 eV.

What Pre-Deployment and Early Post-Deployment Factors Predict Health Function after Combat Deployment?: A Prospective Longitudinal Study of Operation Enduring Freedom (OEF)/Operation Iraqi Freedom (OIF) Soldiers

DTIC Science & Technology

2013-04-30

licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. McAndrew et al...34), a trait related to hypnotic susceptibility. J Abnorm Psychol 1974, 83:268–277. 19. King DW, King LA, Vogt DS: Manual for the Deployment Risk and

Brief Daily Periods of Unrestricted Vision Can Prevent Form-Deprivation Amblyopia

PubMed Central

Wensveen, Janice M.; Harwerth, Ronald S.; Hung, Li-Fang; Ramamirtham, Ramkumar; Kee, Chea-su; Smith, Earl L.

2006-01-01

PURPOSE To characterize how the mechanisms that produce unilateral form-deprivation amblyopia integrate the effects of normal and abnormal vision over time, the effects of brief daily periods of unrestricted vision on the spatial vision losses produced by monocular form deprivation were investigated in infant monkeys. METHODS Beginning at 3 weeks of age, unilateral form deprivation was initiated in 18 infant monkeys by securing a diffuser spectacle lens in front of one eye and a clear plano lens in front of the fellow eye. During the treatment period (18 weeks), three infants wore the diffusers continuously. For the other experimental infants, the diffusers were removed daily and replaced with clear, zero-powered lenses for 1 (n = 5), 2 (n = 6), or 4 (n = 4) hours. Four infants reared with binocular zero-powered lenses and four normally reared monkeys provided control data. RESULTS The degree of amblyopia varied significantly with the daily duration of unrestricted vision. Continuous form deprivation caused severe amblyopia. However, 1 hour of unrestricted vision reduced the degree of amblyopia by 65%, 2 hours reduced the deficits by 90%, and 4 hours preserved near-normal spatial contrast sensitivity. CONCLUSIONS The severely amblyogenic effects of form deprivation in infant primates are substantially reduced by relatively short daily periods of unrestricted vision. The manner in which the mechanisms responsible for amblyopia integrate the effects of normal and abnormal vision over time promotes normal visual development and has important implications for the management of human infants with conditions that potentially cause amblyopia. PMID:16723458

A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis.

PubMed

Olejniczak, Małgorzata; Bast, Radovan; Saue, Trond; Pecul, Magdalena

2012-01-07

We report the implementation of nuclear magnetic resonance (NMR) shielding tensors within the four-component relativistic Kohn-Sham density functional theory including non-collinear spin magnetization and employing London atomic orbitals to ensure gauge origin independent results, together with a new and efficient scheme for assuring correct balance between the large and small components of a molecular four-component spinor in the presence of an external magnetic field (simple magnetic balance). To test our formalism we have carried out calculations of NMR shielding tensors for the HX series (X = F, Cl, Br, I, At), the Xe atom, and the Xe dimer. The advantage of simple magnetic balance scheme combined with the use of London atomic orbitals is the fast convergence of results (when compared with restricted kinetic balance) and elimination of linear dependencies in the basis set (when compared to unrestricted kinetic balance). The effect of including spin magnetization in the description of NMR shielding tensor has been found important for hydrogen atoms in heavy HX molecules, causing an increase of isotropic values of 10%, but negligible for heavy atoms.

10 CFR 50.83 - Release of part of a power reactor facility or site for unrestricted use.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 1 2011-01-01 2011-01-01 false Release of part of a power reactor facility or site for... of a power reactor facility or site for unrestricted use. (a) Prior written NRC approval is required... release. Nuclear power reactor licensees seeking NRC approval shall— (1) Evaluate the effect of releasing...

10 CFR 50.83 - Release of part of a power reactor facility or site for unrestricted use.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false Release of part of a power reactor facility or site for... of a power reactor facility or site for unrestricted use. (a) Prior written NRC approval is required... release. Nuclear power reactor licensees seeking NRC approval shall— (1) Evaluate the effect of releasing...

Proceedings on Combating the Unrestricted Warfare Threat: Integrating Strategy, Analysis, and Technology, 20-21 March 2007

DTIC Science & Technology

2007-03-01

Prosthetics to enable return to units without loss of capability Quantum...and will give us a big advantage in terms of unrestricted warfare. Figure 17 high-Productivity Computing System PRoSThETICS We have an exciting...program in prosthetics (Figure 18). It started with a monkey at Duke University. We put microelectronic implants into her brain, taught her

PIPI: PTM-Invariant Peptide Identification Using Coding Method.

PubMed

Yu, Fengchao; Li, Ning; Yu, Weichuan

2016-12-02

In computational proteomics, the identification of peptides with an unlimited number of post-translational modification (PTM) types is a challenging task. The computational cost associated with database search increases exponentially with respect to the number of modified amino acids and linearly with respect to the number of potential PTM types at each amino acid. The problem becomes intractable very quickly if we want to enumerate all possible PTM patterns. To address this issue, one group of methods named restricted tools (including Mascot, Comet, and MS-GF+) only allow a small number of PTM types in database search process. Alternatively, the other group of methods named unrestricted tools (including MS-Alignment, ProteinProspector, and MODa) avoids enumerating PTM patterns with an alignment-based approach to localizing and characterizing modified amino acids. However, because of the large search space and PTM localization issue, the sensitivity of these unrestricted tools is low. This paper proposes a novel method named PIPI to achieve PTM-invariant peptide identification. PIPI belongs to the category of unrestricted tools. It first codes peptide sequences into Boolean vectors and codes experimental spectra into real-valued vectors. For each coded spectrum, it then searches the coded sequence database to find the top scored peptide sequences as candidates. After that, PIPI uses dynamic programming to localize and characterize modified amino acids in each candidate. We used simulation experiments and real data experiments to evaluate the performance in comparison with restricted tools (i.e., Mascot, Comet, and MS-GF+) and unrestricted tools (i.e., Mascot with error tolerant search, MS-Alignment, ProteinProspector, and MODa). Comparison with restricted tools shows that PIPI has a close sensitivity and running speed. Comparison with unrestricted tools shows that PIPI has the highest sensitivity except for Mascot with error tolerant search and ProteinProspector. These two tools simplify the task by only considering up to one modified amino acid in each peptide, which results in a higher sensitivity but has difficulty in dealing with multiple modified amino acids. The simulation experiments also show that PIPI has the lowest false discovery proportion, the highest PTM characterization accuracy, and the shortest running time among the unrestricted tools.

Selection of active spaces for multiconfigurational wavefunctions

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

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-28

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximatemore » the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.« less

Selection of active spaces for multiconfigurational wavefunctions

NASA Astrophysics Data System (ADS)

Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

2015-06-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.

The effect of routine availability of sugammadex on postoperative respiratory complications: a historical cohort study.

PubMed

Olesnicky, Benjamin L; Traill, Catherine; Marroquin-Harris, Frank B

2017-03-01

Postoperative residual curarisationf is a preventable cause of postoperative morbidity. Although sugammadex has been shown to reduce the risk of residual curarisation, it has not yet been shown if this directly translates to a reduction in morbidity. We aimed to demonstrate whether the introduction of unrestricted sugammadex for routine reversal changed the incidence of post-operative respiratory diagnoses and the rate of airway and respiratory complications in the post-operative care unit. A historical cohort study of 1257 patients who underwent general surgical or ear, nose and throat (ENT) procedures before and after the introduction of unrestricted availability of sugammadex. Patient records were used to identify the incidence of postoperative in-hospital respiratory diagnoses and of airway complications in PACU, the pattern of muscle relaxant use and the relative costs associated with the routine availability of sugammadex. Unrestricted sugammadex availability was associated with a significant reduction in the rate of a postoperative in-hospital respiratory diagnosis; Odds Ratio (OR) = 0.20 (95%CI 0.05-0.72, p=0.01). Furthermore, the use of sugammadex itself was also associated with a reduction in inhospital respiratory diagnoses; OR = 0.26 (95%CI 0.08-0.94, p=0.04). Unrestricted sugammadex was also associated with a decrease in the need for manual airway support in the recovery room (3.2% vs 1.1%, p=0.02) and a decrease in patients being transferred intubated to ICU (5.5% vs 1.3%, p<0.001). Unrestricted sugammadex availability is associated with a reduction in post-operative respiratory complications. A well-designed, prospective randomised trial is needed to provide further validation of the data.

Solutions of the two-dimensional Hubbard model: Benchmarks and results from a wide range of numerical algorithms

DOE PAGES

LeBlanc, J. P. F.; Antipov, Andrey E.; Becca, Federico; ...

2015-12-14

Numerical results for ground-state and excited-state properties (energies, double occupancies, and Matsubara-axis self-energies) of the single-orbital Hubbard model on a two-dimensional square lattice are presented, in order to provide an assessment of our ability to compute accurate results in the thermodynamic limit. Many methods are employed, including auxiliary-field quantum Monte Carlo, bare and bold-line diagrammatic Monte Carlo, method of dual fermions, density matrix embedding theory, density matrix renormalization group, dynamical cluster approximation, diffusion Monte Carlo within a fixed-node approximation, unrestricted coupled cluster theory, and multireference projected Hartree-Fock methods. Comparison of results obtained by different methods allows for the identification ofmore » uncertainties and systematic errors. The importance of extrapolation to converged thermodynamic-limit values is emphasized. Furthermore, cases where agreement between different methods is obtained establish benchmark results that may be useful in the validation of new approaches and the improvement of existing methods.« less

Army Information Technology Procurement: A Business Process Analysis

DTIC Science & Technology

2015-03-27

unrestricted access to the Land War Net when necessary. The Corps of Engineers has IT systems floating next to a dam this week, and next week it will...time available to complete the research; 9 limited access to stakeholders, and SMEs; limited authority to implement business process improvement...Reservists, National Guard, and Medical Corps all maintain their own independent networks, but require unrestricted access to the Land War Net when

Mosquito-borne Arbovirus Surveillance at Selected Sites in Diverse Ecological Zones of Kenya 2007 -- 2012

DTIC Science & Technology

2013-05-10

circulating arboviruses in the region except the Yellow Fever vaccine and Rift Valley Fever vaccine for livestock use only. Early detection of virus...distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use ...Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use , distribution, and reproduction in any medium

Applying a Pattern-Centered Approach to Understanding How Attachment, Gender Beliefs, and Homosociality Shape College Men's Sociosexuality

PubMed Central

Calzo, Jerel P.

2012-01-01

Although early research and the popular press have characterized college men as universal beneficiaries of uncommitted sex, emerging research notes considerable variability in men's sociosexuality (i.e., uncommitted sexual beliefs, desires, and behaviors). This study examined how diversity in sociosexuality is tied to the ways in which attachment orientations, conformity to masculinity norms, and homosocial engagement (i.e., non-romantic same-sex bonds) are organized across individuals. Latent profile analysis of 495 college males (ages 17–25, 62% White, 83.5% Heterosexual) detected five subgroups: Fully Unrestricted (10% of sample; high on sociosexuality and conformity to masculinity norms); Cognitively Unrestricted (36%; comparable to Fully Unrestricteds, but low on sociosexual behavior), Fully Restricted (30%; opposite on all constructs when compared to Fully Unrestricteds); Avoidant (16%; similar to Fully Restricteds, but with greater attachment avoidance); and Discrepant (8%; above average on sociosexual behavior, but discordant within and across constructs). There were notable demographic, personality, and behavioral differences between the subgroups (e.g., nearly 50% of the Discrepants self-identified as sexual minorities, Fully Restricteds were the most religious, Avoidants were the most shy). Findings indicate that college men's sociosexuality is highly nuanced and suggest the need for additional work to understand how attachment, masculinity norms, and homosociality shape men's sexual relationships. PMID:23311325

Applying a pattern-centered approach to understanding how attachment, gender beliefs, and homosociality shape college men's sociosexuality.

PubMed

Calzo, Jerel P

2014-01-01

Although early research and the popular press have characterized college men as universal beneficiaries of uncommitted sex, emerging research notes considerable variability in men's sociosexuality (i.e., uncommitted sexual beliefs, desires, and behaviors). This study examined how diversity in sociosexuality is tied to the ways in which attachment orientations, conformity to masculinity norms, and homosocial engagement (i.e., nonromantic same-sex bonds) are organized across individuals. Latent profile analysis of 495 college males (ages 17 to 25, 62% White, 83.5% heterosexual) detected five subgroups: Fully Unrestricted (10% of sample; high on sociosexuality and conformity to masculinity norms); Cognitively Unrestricted (36%; comparable to Fully Unrestricteds but low on sociosexual behavior), Fully Restricted (30%; opposite on all constructs when compared to Fully Unrestricteds); Avoidant (16%; similar to Fully Restricteds but with greater attachment avoidance); and Discrepant (8%; above average on sociosexual behavior but discordant within and across constructs). There were notable demographic, personality, and behavioral differences among the subgroups (e.g., nearly 50% of the Discrepants self-identified as sexual minorities; Fully Restricteds were the most religious; Avoidants were the most shy). Findings indicate that college men's sociosexuality is highly nuanced and suggest the need for additional work to understand how attachment, masculinity norms, and homosociality shape men's sexual relationships.

Analyses of earth radiation budget data from unrestricted broadband radiometers on the ESSA 7 satellite

NASA Technical Reports Server (NTRS)

Weaver, W. L.; House, F. B.

1979-01-01

Six months of data from the wide-field-of-view low resolution infrared radiometers on the Environmental Science Services Administration (ESSA) 7 satellite were analyzed. Earth emitted and earth reflected irradiances were computed at satellite altitude using data from a new in-flight calibration technique. Flux densitites and albedos were computed for the top of the earth's atmosphere. Monthly averages of these quantities over 100 latitude zones, each hemisphere, and the globe are presented for each month analyzed, and global distributions are presented for typical months. Emitted flux densities are generally lower and albedos higher than those of previous studies. This may be due, in part, to the fact that the ESSA 7 satellite was in a 3 p.m. Sun-synchronous orbit and some of the comparison data were obtained from satellites in 12 noon sun-synchronous orbits. The ESSA 7 detectors seem to smooth out spatial flux density variations more than scanning radiometers or wide-field-of-view fixed-plate detectors. Significant longitudinal and latitudinal variations of emitted flux density and albedo were identified in the tropics in a zone extending about + or - 25 deg in latitude.

Electron propagator calculations on the ionization energies of CrH -, MnH - and FeH -

NASA Astrophysics Data System (ADS)

Lin, Jyh-Shing; Ortiz, J. V.

1990-08-01

Electron propagator calculations with unrestricted Hartree-Fock reference states yield the ionization energies of the title anions. Spin contamination in the anionic reference state is small, enabling the use of second-and third-order self-energies in the Dyson equation. Feynman-Dyson amplitudes for these ionizations are essentially identical to canonical spin-orbitals. For most of the final states, these consist of an antibonding combination of an sp metal hybrid, polarized away from the hydrogen, and hydroegen s functions. In one case, the Feynman-Dyson amplitude consists of nonbonding d functions. Calculated ionization energies are within 0.5 eV of experiment.

[Thermoresistance in Saccharomyces cerevisiae yeasts].

PubMed

Kaliuzhin, V A

2011-01-01

Under natural conditions, yeast Saccharomyces cerevisiae reproduce, as a rule, on the surface of solid or liquid medium. Thus, life cycle of yeast populations is substantially influenced by diurnal changes in ambient temperature. The pattern in the response of unrestricted yeast S. cerevisiae culture to changes in the temperature of cultivation is revealed experimentally. Yeast population, in the absence of environmental constraints on the functioning of cell chemosmotic bioenergetic system, demonstrates the ability of thermoresistance when the temperature of cultivation switches from the range of 12-36 degrees C to 37.5-40 degrees C. During the transient period that is associated with the temperature switching and lasts from 1 to 4 turnover cycles, yeast reproduction rate remains 1.5-2 times higher than under stationary conditions. This is due to evolutionary acquired adaptive activity of cell chemosmotic system. After the adaptive resources exhausting, yeast thermoresistance fully recovers at the temperature range of 12-36 degrees C within one generation time under conditions of both restricted and unrestricted nourishment. Adaptive significance of such thermoresistance seems obvious enough--it allows maintaining high reproduction rate in yeast when ambient temperature is reaching a brief maximum shortly after noon.

Nonulcer dyspepsia.

PubMed

Scolapio, J S; Camilleri, M

1996-03-01

There is considerable confusion in the literature about the entity of nonulcer dyspepsia and its epidemiology, mechanisms, and management. In this review, we discuss the mechanisms and develop a strategy for diagnosis and management of nonulcer dyspepsia in the era of cost-containment. This analysis was based on a computerized literature search on epidemiology, pathophysiology, and management of nonulcer dyspepsia. Inconsistencies in the inclusion criteria of several studies result in disparities in the data from epidemiological and physiology-based studies. We propose that the inclusion criteria need to be unrestricted by the symptom of "pain," and that epidemiological features must be refined further because recent data used pain/discomfort as the dominant feature for identifying "dyspepsia." The interplay between three factors (impaired motor and sensory functions, psychosocial factors, and Helicobacter pylori infection) deserves further study. Advances in this field will follow rigorous reappraisal of the epidemiology using an unrestricted definition of the symptom complex and development of strategies in clinical practice that focus on either the cost-effective investigation of the mechanism and its treatment or an effective sequence of therapeutic trials. An algorithm proposed for patient evaluation needs to be tested, with emphasis on outcome (i.e., symptom control, cost efficacy, and societal costs).

New quantum number for the many-electron Dirac-Coulomb Hamiltonian

NASA Astrophysics Data System (ADS)

Komorovsky, Stanislav; Repisky, Michal; Bučinský, Lukáš

2016-11-01

By breaking the spin symmetry in the relativistic domain, a powerful tool in physical sciences was lost. In this work, we examine an alternative of spin symmetry for systems described by the many-electron Dirac-Coulomb Hamiltonian. We show that the square of many-electron operator K+, defined as a sum of individual single-electron time-reversal (TR) operators, is a linear Hermitian operator which commutes with the Dirac-Coulomb Hamiltonian in a finite Fock subspace. In contrast to the square of a standard unitary many-electron TR operator K , the K+2 has a rich eigenspectrum having potential to substitute spin symmetry in the relativistic domain. We demonstrate that K+ is connected to K through an exponential mapping, in the same way as spin operators are mapped to the spin rotational group. Consequently, we call K+ the generator of the many-electron TR symmetry. By diagonalizing the operator K+2 in the basis of Kramers-restricted Slater determinants, we introduce the relativistic variant of configuration state functions (CSF), denoted as Kramers CSF. A new quantum number associated with K+2 has potential to be used in many areas, for instance, (a) to design effective spin Hamiltonians for electron spin resonance spectroscopy of heavy-element containing systems; (b) to increase efficiency of methods for the solution of many-electron problems in relativistic computational chemistry and physics; (c) to define Kramers contamination in unrestricted density functional and Hartree-Fock theory as a relativistic analog of the spin contamination in the nonrelativistic domain.

Functional Performance Testing After Anterior Cruciate Ligament Reconstruction

PubMed Central

Abrams, Geoffrey D.; Harris, Joshua D.; Gupta, Anil K.; McCormick, Frank M.; Bush-Joseph, Charles A.; Verma, Nikhil N.; Cole, Brian J.; Bach, Bernard R.

2014-01-01

Background: When to allow an athlete to return to unrestricted sporting activity after anterior cruciate ligament (ACL) reconstruction remains controversial. Purpose: To report the results of functional performance testing reported in the literature for individuals at differing time points following ACL reconstruction and to examine differences between graft types. Study Design: Systematic review; Level of evidence, 4. Methods: A systematic review of Medline, Scopus, and Cochrane Central Register of Controlled Trials was performed using PRISMA guidelines. Inclusion criteria were English-language studies that examined any functional rehabilitation test from 6 months to 2 years following ACL reconstruction. All patient-, limb-, and knee-specific demographics were extracted from included investigations. All functional rehabilitation tests were analyzed and compared when applicable. Results: The search term returned a total of 890 potential studies, with 88 meeting inclusion and exclusion criteria. A total of 4927 patients were included, of which 66% were male. The mean patient age was 26.5 ± 3.4 years. The predominant graft choices for reconstruction were bone–patellar tendon–bone (BPTB) autograft (59.8%) and hamstring autograft (37.9%). The most commonly reported functional tests were the hop tests. The results of these functional tests, as reported in the Limb Symmetry Index (LSI), improved with increasing time, with nearly all results greater than 90% at 1 year following primary ACL reconstruction. At 6 months postoperatively, a number of isokinetic strength measurements failed to reach 80% LSI, most commonly isokinetic knee extension testing in both BPTB and hamstring autograft groups. The knee flexion strength deficit was significantly less in the BPTB autograft group as compared with those having hamstring autograft at 1 year postoperatively, while no significant differences were found in isokinetic extension strength between the 2 groups. Conclusion: Hop testing was the most commonly reported functional test following ACL reconstruction. Increases in performance on functional tests were predictably seen as time increased following surgery. Those with hamstring autografts may experience increased strength deficits with knee flexion versus those having BPTB autograft. These data provide information that may assist providers in determining timing of return to unrestricted sporting activity. PMID:26535266

Variational bounds on the temperature distribution

NASA Astrophysics Data System (ADS)

Kalikstein, Kalman; Spruch, Larry; Baider, Alberto

1984-02-01

Upper and lower stationary or variational bounds are obtained for functions which satisfy parabolic linear differential equations. (The error in the bound, that is, the difference between the bound on the function and the function itself, is of second order in the error in the input function, and the error is of known sign.) The method is applicable to a range of functions associated with equalization processes, including heat conduction, mass diffusion, electric conduction, fluid friction, the slowing down of neutrons, and certain limiting forms of the random walk problem, under conditions which are not unduly restrictive: in heat conduction, for example, we do not allow the thermal coefficients or the boundary conditions to depend upon the temperature, but the thermal coefficients can be functions of space and time and the geometry is unrestricted. The variational bounds follow from a maximum principle obeyed by the solutions of these equations.

UNO DMRG CASCI calculations of effective exchange integrals for m-phenylene-bis-methylene spin clusters

NASA Astrophysics Data System (ADS)

Kawakami, Takashi; Sano, Shinsuke; Saito, Toru; Sharma, Sandeep; Shoji, Mitsuo; Yamada, Satoru; Takano, Yu; Yamanaka, Shusuke; Okumura, Mitsutaka; Nakajima, Takahito; Yamaguchi, Kizashi

2017-09-01

Theoretical examinations of the ferromagnetic coupling in the m-phenylene-bis-methylene molecule and its oligomer were carried out. These systems are good candidates for exchange-coupled systems to investigate strong electronic correlations. We studied effective exchange integrals (J), which indicated magnetic coupling between interacting spins in these species. First, theoretical calculations based on a broken-symmetry single-reference procedure, i.e. the UHF, UMP2, UMP4, UCCSD(T) and UB3LYP methods, were carried out with a GAUSSIAN program code under an SR wave function. From these results, the J value by the UHF method was largely positive because of the strong ferromagnetic spin polarisation effect. The J value by the UCCSD(T) and UB3LYP methods improved an overestimation problem by correcting the dynamical electronic correlation. Next, magnetic coupling among these spins was studied using the CAS-based method of the symmetry-adapted multireference methods procedure. Thus, the UNO DMRG CASCI (UNO, unrestricted natural orbital; DMRG, density matrix renormalised group; CASCI, complete active space configuration interaction) method was mainly employed with a combination of ORCA and BLOCK program codes. DMRG CASCI calculations in valence electron counting, which included all orbitals to full valence CI, provided the most reliable result, and support the UB3LYP method for extended systems.

Impact of a pregabalin step therapy policy among medicare advantage beneficiaries.

PubMed

Suehs, Brandon T; Louder, Anthony; Udall, Margarita; Cappelleri, Joseph C; Joshi, Ashish V; Patel, Nick C

2014-06-01

Managed healthcare organizations often utilize formulary management strategies such as prior authorization and step therapy to guide appropriate medication use and to control medication expenditures. The objective of this study was to examine clinical and economic outcomes associated with implementation of a pregabalin step therapy (ST) policy among Medicare Advantage Prescription Drug (MAPD) members. Pharmacy and medical claims data from Humana (restricted cohort; ST policy implemented 01/01/2009) and Thomson Reuters MarketScan(®) (unrestricted cohort) were analyzed for MAPD members aged 65 to 89 years receiving treatment for painful diabetic peripheral neuropathy (pDPN), postherpetic neuralgia (PHN) or fibromyalgia (FM). Difference-in-differences (DID) was used to examine year-over-year changes in disease-related and all-cause utilization and costs. Regression analyses examined medication utilization and healthcare expenditures after controlling for between-group compositional differences. We identified 13,911 members in the restricted cohort and matched to members from unrestricted health plans. FM (51.0%) and pDPN (41.8%) were the most common diagnoses. Members in the unrestricted cohort were older and had a greater level of comorbidity than members in the restricted cohort. The restricted cohort demonstrated greater year-over-year decrease in pregabalin utilization and increase in year-over-year gabapentin utilization compared with the unrestricted cohort. ST restriction was associated with an increase in disease-related pharmacy costs and a decrease in total medical costs for the restricted cohort compared with the unrestricted cohort. There was no difference between cohorts in total healthcare cost. After controlling for differences in age and comorbidity burden between the groups, implementation of a pregabalin ST restriction was associated with increased disease-related pharmacy costs and decreased total medical costs; however, there was no net difference in total healthcare cost or total pharmacy cost. © 2013 Pfizer Inc and Humana, Inc. Pain Practice © 2013 World Institute of Pain.

Chinese Grand Strategy: How Anti-Access/Area Denial (A2/AD) Fits in China’s Plan

DTIC Science & Technology

2014-04-01

Qiao and Wang, Unrestricted Warfare, 142. 6. Corpus, “America’s Acupuncture Points” Asia Times Online, (Part 2, Section 5). 7. Ibid. 8. Stokes...Corpus, “America’s Acupuncture Points”, (Part 1, Section 1). 46. Qiao and Wang, Unrestricted Warfare, 93. 47. Ibid. 48. Military Factory, “American War...Employment Concepts in the 21st Century. RAND Report FA7014-06-C-0001. Santa Monica, CA: RAND, 2011. Corpus, Victor N. “America’s Acupuncture Points

Analysis of fracture healing in osteopenic bone caused by disuse: experimental study.

PubMed

Paiva, A G; Yanagihara, G R; Macedo, A P; Ramos, J; Issa, J P M; Shimano, A C

2016-03-01

Osteoporosis has become a serious global public health issue. Hence, osteoporotic fracture healing has been investigated in several previous studies because there is still controversy over the effect osteoporosis has on the healing process. The current study aimed to analyze two different periods of bone healing in normal and osteopenic rats. Sixty, 7-week-old female Wistar rats were randomly divided into four groups: unrestricted and immobilized for 2 weeks after osteotomy (OU2), suspended and immobilized for 2 weeks after osteotomy (OS2), unrestricted and immobilized for 6 weeks after osteotomy (OU6), and suspended and immobilized for 6 weeks after osteotomy (OS6). Osteotomy was performed in the middle third of the right tibia 21 days after tail suspension, when the osteopenic condition was already set. The fractured limb was then immobilized by orthosis. Tibias were collected 2 and 6 weeks after osteotomy, and were analyzed by bone densitometry, mechanical testing, and histomorphometry. Bone mineral density values from bony calluses were significantly lower in the 2-week post-osteotomy groups compared with the 6-week post-osteotomy groups (multivariate general linear model analysis, P<0.000). Similarly, the mechanical properties showed that animals had stronger bones 6 weeks after osteotomy compared with 2 weeks after osteotomy (multivariate general linear model analysis, P<0.000). Histomorphometry indicated gradual bone healing. Results showed that osteopenia did not influence the bone healing process, and that time was an independent determinant factor regardless of whether the fracture was osteopenic. This suggests that the body is able to compensate for the negative effects of suspension.

The geometric curvature of the lumbar spine during restricted and unrestricted squats.

PubMed

Hebling Campos, Mário; Furtado Alaman, Laizi I; Seffrin-Neto, Aldo A; Vieira, Carlos A; Costa de Paula, Marcelo; Barbosa de Lira, Claudio A

2017-06-01

The main purpose of this study was to analyze the behavior of the geometric curvature of the lumbar spine during restricted and unrestricted squats, using a novel investigative method. The rationale for our hypothesis is that the lumbar curvature has different patterns at different spine levels depending on the squat technique used. Spine motion was collected via stereo-photogrammetric analysis in nineteen participants (11 males, 8 females). The reconstructed spine points at the upright neutral position and at the deepest position of the squat exercise were projected onto the sagittal plane of the trunk, a polynomial was fitted to the data, and were quantified the two-dimensional geometric curvature at lower, central and higher lumbar levels, besides the inclination of trunk and lumbosacral region, the overall geometric curvature and overall angle of the lumbar spine. The mean values for each variable were analysed with paired t-test (P<0.05). The lumbar presents a flexion from upright neutral posture to deepest point of the movement, but for the lower lumbar the flexion is less intense if the knees travel anteriorly past the toes. The trunk and the lumbosacral region lean forward in both squat techniques and these effects are also reduced in unrestricted squats. The data collected in the study are evidence that during barbell squats the lumbar curvature has different patterns at different spinal levels depending on the exercise technique. The lower lumbar spine appears to be less overloaded during unrestricted squats.

A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes

NASA Astrophysics Data System (ADS)

Hajgató, B.; Szieberth, D.; Geerlings, P.; De Proft, F.; Deleuze, M. S.

2009-12-01

A benchmark theoretical study of the electronic ground state and of the vertical and adiabatic singlet-triplet (ST) excitation energies of benzene (n =1) and n-acenes (C4n+2H2n+4) ranging from naphthalene (n =2) to heptacene (n =7) is presented, on the ground of single- and multireference calculations based on restricted or unrestricted zero-order wave functions. High-level and large scale treatments of electronic correlation in the ground state are found to be necessary for compensating giant but unphysical symmetry-breaking effects in unrestricted single-reference treatments. The composition of multiconfigurational wave functions, the topologies of natural orbitals in symmetry-unrestricted CASSCF calculations, the T1 diagnostics of coupled cluster theory, and further energy-based criteria demonstrate that all investigated systems exhibit a A1g singlet closed-shell electronic ground state. Singlet-triplet (S0-T1) energy gaps can therefore be very accurately determined by applying the principles of a focal point analysis onto the results of a series of single-point and symmetry-restricted calculations employing correlation consistent cc-pVXZ basis sets (X=D, T, Q, 5) and single-reference methods [HF, MP2, MP3, MP4SDQ, CCSD, CCSD(T)] of improving quality. According to our best estimates, which amount to a dual extrapolation of energy differences to the level of coupled cluster theory including single, double, and perturbative estimates of connected triple excitations [CCSD(T)] in the limit of an asymptotically complete basis set (cc-pV∞Z), the S0-T1 vertical excitation energies of benzene (n =1) and n-acenes (n =2-7) amount to 100.79, 76.28, 56.97, 40.69, 31.51, 22.96, and 18.16 kcal/mol, respectively. Values of 87.02, 62.87, 46.22, 32.23, 24.19, 16.79, and 12.56 kcal/mol are correspondingly obtained at the CCSD(T)/cc-pV∞Z level for the S0-T1 adiabatic excitation energies, upon including B3LYP/cc-PVTZ corrections for zero-point vibrational energies. In line with the absence of Peierls distortions, extrapolations of results indicate a vanishingly small S0-T1 energy gap of 0 to ˜4 kcal/mol (˜0.17 eV) in the limit of an infinitely large polyacene.

Comparison of trends in habitat and resource selection by the Spanish Festoon, Zerynthia rumina, and the whole butterfly community in a semiarid Mediterranean ecosystem.

PubMed

Ochoa-Hueso, Raúl; de la Puente Ranea, Daniel; Viejo, José Luis

2014-04-10

Butterfly community and single species based approaches were taken to establish conservation priorities within a nature reserve in Central Spain. In this study, patch type (sclerophyllous, halophilous, or disturbed), potential herbaceous nectar availability, potential woody plant nectar availability, total nectar availability, and two approximations to plant diversity (herbaceous and woody plant diversity) were evaluated as variables that account for adult butterfly density. Butterfly communities in the reserve, which consist mostly of generalist species, were denser in relatively wet areas dominated by halophilous vegetation. Diversity did not significantly vary between ecologically different transects. Total nectar availability correlated with higher butterfly densities within both undisturbed and disturbed areas, which could be primarily explained by the lack of water typical of semiarid Mediterranean climates, where fresh, nectariferous vegetation is scarce. Woody plants were also found to be important sources of nectar and shelter. In the dryer sclerophyllous sites, adult butterfly density was best explained by herbaceous plant diversity, suggesting better quality of available resources. The endangered specialist Zerynthia rumina (L.) (Lepidoptera: Papilionidae) was only present at the sclerophyllous sites. Its density was very low in all sampled transects, excluding one relatively isolated transect with high larval hostplant density. In contrast to the community-based approach, density of Z. rumina adults is better explained by the density of its larval hostplant than by nectar availability, a trend previously described for other sedentary species. Management strategies for protecting insect-rich areas should consider the specific ecological requirements of endangered species. This is an open access paper. We use the Creative Commons Attribution 3.0 license that permits unrestricted use, provided that the paper is properly attributed.

Adaptive Significance of Quorum Sensing-Dependent Regulation of Rhamnolipids by Integration of Growth Rate in Burkholderia glumae: A Trade-Off between Survival and Efficiency.

PubMed

Nickzad, Arvin; Déziel, Eric

2016-01-01

Quorum sensing (QS) is a cell density-dependent mechanism which enables a population of bacteria to coordinate cooperative behaviors in response to the accumulation of self-produced autoinducer signals in their local environment. An emerging framework is that the adaptive significance of QS in the regulation of production of costly extracellular metabolites ("public goods") is to maintain the homeostasis of cooperation. We investigated this model using the phytopathogenic bacterium Burkholderia glumae, which we have previously demonstrated uses QS to regulate the production of rhamnolipids, extracellular surface-active glycolipids promoting the social behavior called "swarming motility." Using mass spectrometric quantification and chromosomal lux-based gene expression, we made the unexpected finding that when unrestricted nutrient resources are provided, production of rhamnolipids is carried out completely independently of QS regulation. This is a unique observation among known QS-controlled factors in bacteria. On the other hand, under nutrient-limited conditions, QS then becomes the main regulating mechanism, significantly enhancing the specific rhamnolipids yield. Accordingly, decreasing nutrient concentrations amplifies rhamnolipid biosynthesis gene expression, revealing a system where QS-dependent regulation is specifically triggered by the growth rate of the population, rather than by its cell density. Furthermore, a gradual increase in QS signal specific concentration upon decrease of specific growth rate suggests a reduction in quorum threshold, which reflects an increase in cellular demand for production of QS-dependent target gene product at low density populations. Integration of growth rate with QS as a decision-making mechanism for biosynthesis of costly metabolites, such as rhamnolipids, could serve to assess the demand and timing for expanding the carrying capacity of a population through spatial expansion mechanisms, such as swarming motility, thus promoting the chances of survival, even if the cell density might not be high enough for an otherwise efficient production of rhamnolipids. In conclusion, we propose that the adaptive significance of growth rate-dependent functionality of QS in biosynthesis of costly public goods lies within providing a regulatory mechanism for selecting the optimal trade-off between survival and efficiency.

Efficient and accurate local single reference correlation methods for high-spin open-shell molecules using pair natural orbitals

NASA Astrophysics Data System (ADS)

Hansen, Andreas; Liakos, Dimitrios G.; Neese, Frank

2011-12-01

A production level implementation of the high-spin open-shell (spin unrestricted) single reference coupled pair, quadratic configuration interaction and coupled cluster methods with up to doubly excited determinants in the framework of the local pair natural orbital (LPNO) concept is reported. This work is an extension of the closed-shell LPNO methods developed earlier [F. Neese, F. Wennmohs, and A. Hansen, J. Chem. Phys. 130, 114108 (2009), 10.1063/1.3086717; F. Neese, A. Hansen, and D. G. Liakos, J. Chem. Phys. 131, 064103 (2009), 10.1063/1.3173827]. The internal space is spanned by localized orbitals, while the external space for each electron pair is represented by a truncated PNO expansion. The laborious integral transformation associated with the large number of PNOs becomes feasible through the extensive use of density fitting (resolution of the identity (RI)) techniques. Technical complications arising for the open-shell case and the use of quasi-restricted orbitals for the construction of the reference determinant are discussed in detail. As in the closed-shell case, only three cutoff parameters control the average number of PNOs per electron pair, the size of the significant pair list, and the number of contributing auxiliary basis functions per PNO. The chosen threshold default values ensure robustness and the results of the parent canonical methods are reproduced to high accuracy. Comprehensive numerical tests on absolute and relative energies as well as timings consistently show that the outstanding performance of the LPNO methods carries over to the open-shell case with minor modifications. Finally, hyperfine couplings calculated with the variational LPNO-CEPA/1 method, for which a well-defined expectation value type density exists, indicate the great potential of the LPNO approach for the efficient calculation of molecular properties.

Habitat Options to Protect Against Decompression Sickness on Mars

NASA Astrophysics Data System (ADS)

Conkin, J.

2000-07-01

Men and women are alive today, although perhaps still in diapers, who will explore the surface of Mars. Two achievable goals to enable this exploration are to use Martian resources, and to provide a safe means for unrestricted access to the surface. A cost-effective approach for Mars exploration is to use the available resources, such as water and atmospheric gases. Nitrogen (N2) and Argon (Ar) in a concentration ratio of 1.68/1.0 are available, and could form the inert gas component of a habitat atmosphere at 8.0, 9.0, or 10.0 pounds per square inch absolute (psia). The habitat and space suit must be designed as an integrated, complementary, system: a comfortable living environment about 85% of the time and a safe working environment about 15% of the time. A goal is to provide a system that permits unrestricted exploration of Mars. However the risk of decompression sickness (DCS) during the extravehicular activity (EVA) in a 3.75 psia suit after exposure to either of the three habitat conditions may limit unrestricted exploration.

Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory.

PubMed

Tsuchimochi, Takashi; Henderson, Thomas M; Scuseria, Gustavo E; Savin, Andreas

2010-10-07

Our previously developed constrained-pairing mean-field theory (CPMFT) is shown to map onto an unrestricted Hartree-Fock (UHF) type method if one imposes a corresponding pair constraint to the correlation problem that forces occupation numbers to occur in pairs adding to one. In this new version, CPMFT has all the advantages of standard independent particle models (orbitals and orbital energies, to mention a few), yet unlike UHF, it can dissociate polyatomic molecules to the correct ground-state restricted open-shell Hartree-Fock atoms or fragments.

Direct Dynamics Simulation of Dissociation of the [CH3--I--OH]- Ion-Molecule Complex

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

Xie, Jing; McClellan, Miranda; Sun, Rui

Direct dynamics simulations were used to study dissociation of the [CH3--I--OH]- complex ion, which was observed in a previous study of the OH- + CH3I gas phase reaction (J. Phys. Chem. A 2013, 117, 7162). Restricted B97-1 simulations were performed to study dissociation at 65, 75 and 100 kcal/mol and the [CH3--I--OH]- ion dissociated exponentially, in accord with RRKM theory. For these energies the major dissociation products are CH3I + OH-, CH2I- + H2O, and CH3OH + I-. Unrestricted B97-1 and restricted and unrestricted CAM-B3LYP simulations were also performed at 100 kcal/mol to compare with the restricted B97-1 results. Themore » {CH3I + OH-}:{CH2I- + H2O}:{CH3OH + I-} product ratio is 0.72 : 0.15 : 0.13, 0.81 : 0.05 : 0.14, 0.71 : 0.19 : 0.10 , and 0.83 : 0.13 : 0.04 for the restricted B97-1, unrestricted B97-1, restricted CAM-B3LYP, and unrestricted CAM-B3LYP simulations, respectively. Other product channels found are CH2 + I- + H2O, CH2 + I-(H2O), CH4 + IO-, CH3 - + IOH, and CH3 + IOH-. The CH3 - + IOH singlet products are only given by the restricted B97-1 simulation and the lower energy CH3 + IOH- doublet products are only formed by the unrestricted B97-1 simulation. Also studied were the direct and indirect atomic-level mechanisms for forming CH3I + OH-, CH2I- + H2O, and CH3OH + I-. The majority of CH3I + OH- were formed through a direct mechanism. For both CH2I- + H2O and CH3OH + I-, the direct mechanism is overall more important than the indirect mechanisms, with the round-about like mechanism the most important indirect mechanism at high excitation energies. Mechanism comparisons between the B97-1 and CAM-B3LYP simulations showed that formation of the CH3OH---I- complex is favored for the B97-1 simulations, while formation of the HO----HCH2I complex is favored for the CAM-B3LYP simulations. The unrestricted simulations give a higher percentage of indirect mechanisms than the restricted simulations. The possible role of the self-interaction error in the simulations is also discussed. The work presented here gives a detailed picture of the [CH3--I--OH]- dissociation dynamics, and is very important for unraveling the role of [CH3--I--OH]- in the dynamics of the OH-(H2O)n=1,2 + CH3I reactions.« less

Comparison of a Restricted and Unrestricted Vegan Diet Plan with a Restricted Omnivorous Diet Plan on Health-Specific Measures

PubMed Central

Bloomer, Richard J.; Gunnels, Trint A.; Schriefer, JohnHenry M.

2015-01-01

Background: We have previously noted beneficial health outcomes when individuals follow a dietary restriction plan in accordance with the Daniel Fast (DF). This is true whether individuals eliminate all animal products or include small amounts of meat and dairy in their plan. The present study sought to compare anthropometric and biochemical measures of health in individuals following a traditional DF (i.e., restricted vegan) or modified DF (i.e., restricted omnivorous; inclusive of ad libitum meat and skim milk consumption), with those following an unrestricted vegan diet plan. Methods: 35 subjects (six men; 29 women; 33 ± 2 years; range: 18–67 years) completed a 21-day diet plan. Subjects reported to the lab for pre- (day 1) and post-intervention testing (day 22) in a 10 h fasted state. Blood samples were collected and assayed for complete blood count, metabolic panel, lipid panel, insulin, HOMA-IR, C-reactive protein, and oxidative stress biomarkers (malondialdehyde, advanced oxidation protein products, and nitrate/nitrite). Heart rate and blood pressure were measured and body composition was determined via dual energy X-ray absorptiometry. Subjects’ self-reported compliance, mental and physical health, and satiety in relation to the dietary modification were recorded. Results: No interaction effects were noted for our outcome measures (p > 0.05). However, subjects in the traditional DF group reported an approximate 10% increase in perceived mental and physical health, with a 25% reduction in malondialdehyde and a 33% reduction in blood insulin. Systolic BP was reduced approximately 7 mmHg in subjects assigned to the traditional DF, with an approximate 5 mmHg reduction in subjects assigned to the modified DF and the unrestricted vegan plan. A small (2 mmHg) reduction in diastolic BP was noted for subjects in both DF groups; a slight increase in diastolic BP was noted for subjects assigned to the unrestricted vegan group. An approximate 20% reduction was noted in total and LDL cholesterol for subjects in the traditional DF group, with an approximate 10% decrease for subjects in the modified DF group. No decrease in total or LDL cholesterol was noted for subjects in the unrestricted vegan group. Conclusion: These data indicate that both a traditional or modified DF may improve blood pressure and blood lipids in a clinically meaningful manner if these results are sustained over the long term. A traditional DF also results in a significant reduction in blood insulin and oxidative stress. An unrestricted vegan diet may improve systolic blood pressure, but in the absence of measures to strictly monitor adherence, it does not favorably impact other markers of health measured in the present study. PMID:27417779

Comparison of a Restricted and Unrestricted Vegan Diet Plan with a Restricted Omnivorous Diet Plan on Health-Specific Measures.

PubMed

Bloomer, Richard J; Gunnels, Trint A; Schriefer, JohnHenry M

2015-07-14

We have previously noted beneficial health outcomes when individuals follow a dietary restriction plan in accordance with the Daniel Fast (DF). This is true whether individuals eliminate all animal products or include small amounts of meat and dairy in their plan. The present study sought to compare anthropometric and biochemical measures of health in individuals following a traditional DF (i.e., restricted vegan) or modified DF (i.e., restricted omnivorous; inclusive of ad libitum meat and skim milk consumption), with those following an unrestricted vegan diet plan. 35 subjects (six men; 29 women; 33 ± 2 years; range: 18-67 years) completed a 21-day diet plan. Subjects reported to the lab for pre- (day 1) and post-intervention testing (day 22) in a 10 h fasted state. Blood samples were collected and assayed for complete blood count, metabolic panel, lipid panel, insulin, HOMA-IR, C-reactive protein, and oxidative stress biomarkers (malondialdehyde, advanced oxidation protein products, and nitrate/nitrite). Heart rate and blood pressure were measured and body composition was determined via dual energy X-ray absorptiometry. Subjects' self-reported compliance, mental and physical health, and satiety in relation to the dietary modification were recorded. No interaction effects were noted for our outcome measures (p > 0.05). However, subjects in the traditional DF group reported an approximate 10% increase in perceived mental and physical health, with a 25% reduction in malondialdehyde and a 33% reduction in blood insulin. Systolic BP was reduced approximately 7 mmHg in subjects assigned to the traditional DF, with an approximate 5 mmHg reduction in subjects assigned to the modified DF and the unrestricted vegan plan. A small (2 mmHg) reduction in diastolic BP was noted for subjects in both DF groups; a slight increase in diastolic BP was noted for subjects assigned to the unrestricted vegan group. An approximate 20% reduction was noted in total and LDL cholesterol for subjects in the traditional DF group, with an approximate 10% decrease for subjects in the modified DF group. No decrease in total or LDL cholesterol was noted for subjects in the unrestricted vegan group. These data indicate that both a traditional or modified DF may improve blood pressure and blood lipids in a clinically meaningful manner if these results are sustained over the long term. A traditional DF also results in a significant reduction in blood insulin and oxidative stress. An unrestricted vegan diet may improve systolic blood pressure, but in the absence of measures to strictly monitor adherence, it does not favorably impact other markers of health measured in the present study.

Voluntary running of defined distances reduces body adiposity and its associated inflammation in C57BL/6 mice fed a high-fat diet.

PubMed

Yan, Lin; Sundaram, Sneha; Nielsen, Forrest H

2017-11-01

This study investigated the effect of voluntary running of defined distances on body adiposity in male C57BL/6 mice fed a high-fat diet. Mice were assigned to 6 groups and fed a standard AIN93G diet (sedentary) or a modified high-fat AIN93G diet (sedentary; unrestricted running; or 75%, 50%, or 25% of unrestricted running) for 12 weeks. The average running distance was 8.3, 6.3, 4.2, and 2.1 km/day for the unrestricted, 75%, 50%, and 25% of unrestricted runners, respectively. Body adiposity was 46% higher in sedentary mice when fed the high-fat diet instead of the standard diet. Running decreased adiposity in mice fed the high-fat diet in a dose-dependent manner but with no significant difference between sedentary mice and those running 2.1 km/day. In sedentary mice, the high-fat instead of the standard diet increased insulin resistance, hepatic triacylglycerides, and adipose and plasma concentrations of leptin and monocyte chemotactic protein-1 (MCP-1). Running reduced these variables in a dose-dependent manner. Adipose adiponectin was lowest in sedentary mice fed the high-fat diet; running raised adiponectin in both adipose tissue and plasma. Running 8.3 and 6.3 km/day had the greatest, but similar, effects on the aforementioned variables. Running 2.1 km/day did not affect these variables except, when compared with sedentariness, it significantly decreased MCP-1. The findings showed that running 6.3 kg/day was optimal for reducing adiposity and associated inflammation that was increased in mice by feeding a high-fat diet. The findings suggest that voluntary running of defined distances may counteract the obesogenic effects of a high-fat diet.

Significantly lower incidence of early definite stent thrombosis of drug-eluting stents after unrestricted use in Japan using ticlopidine compared to western countries using clopidogrel: a retrospective comparison with western mega-studies.

PubMed

Ishikawa, Tetsuya; Nakano, Yosuke; Endoh, Akira; Kubota, Takeyuki; Suzuki, Teruhiko; Nakata, Koutarou; Miyamoto, Takashi; Murakami, Michiaki; Sakamoto, Hiroshi; Imai, Kamon; Mochizuki, Seibu; Yoshimura, Michihiro; Mutoh, Makoto

2009-10-01

The incidence of definite stent thrombosis (ST) after use of drug-eluting stents (DES), as defined by the Academic Research Consortium, is known to be lower in Japan than in western countries. However, a statistical difference in the incidence of early definite ST (EDST) associated with the unrestricted use of DES has not yet been documented. Therefore, the incidence of EDST in our Japanese institute after unrestricted use of DES was retrospectively compared with those reported in western mega-studies. During the 40 months from August 2004 to November 2007 (before approval of clopidogrel in Japan), DES were implanted in 3605 lesions in 1885 patients in our institute; lesion- and patient-associated percentages of DES use were 95.2% and 94.7%, respectively. Mean stent length per lesion was 33.2 mm, emergent procedures and ST-elevation myocardial infarctions made up 33.7% and 16.4% of the procedures, respectively, intravascular ultrasonography was used 96.0% of the time, a distal protection device for acute coronary syndrome was used 68.7% of the time, and the mean maximum inflation pressure was 19.5 atm. EDST was observed in five lesions (0.139%) in four patients (0.212%). The incidence of patient-associated EDST at our center was significantly lower than in four western mega-studies (0.736%, 66 of 8970 patients; 0.634%, 149 of 23,500; 0.595%, 52 of 8402; 0.997%, 20 of 2006) (p<0.05, <0.01, <0.05, <0.01, respectively, using a chi(2)-test). Due to differences in procedural approaches in Japan, the incidence of EDST after unrestricted use of DES was significantly lower than in western countries.

Current Density Scaling in Electrochemical Flow Capacitors

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

Hoyt, NC; Wainright, JS; Savinell, RF

Electrochemical flow capacitors (EFCs) are a recently developed energy storage technology. One of the principal performance metrics of an EFC is the steady-state electrical current density that it can accept or deliver. Numerical models exist to predict this performance for specific cases, but here we present a study of how the current varies with respect to the applied cell voltage, flow rate, cell dimensions, and slurry properties using scaling laws. The scaling relationships are confirmed by numerical simulations and then subsequently by comparison to results from symmetric cell EFC experiments. This modeling approach permits the delimitation of three distinct operationalmore » regimes dependent on the values of two nondimensional combinations of the pertinent variables (specifically, a capacitive Graetz number and a conductivity ratio). Lastly, the models and nondimensional numbers are used to provide design guidance in terms of criteria for proper EFC operation. (C) The Author(s) 2015. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.« less

Sustaining PICA for Future NASA Robotic Science Missions Including NF-4 and Discovery

NASA Technical Reports Server (NTRS)

Stackpoole, Mairead; Venkatapathy, Ethiraj; Violette, Steve

2018-01-01

Phenolic Impregnated Carbon Ablator (PICA), invented in the mid 1990's, is a low-density ablative thermal protection material proven capable of meeting sample return mission needs from the moon, asteroids, comets and other unrestricted class V destinations as well as for Mars. Its low density and efficient performance characteristics have proven effective for use from Discovery to Flag-ship class missions. It is important that NASA maintain this thermal protection material capability and ensure its availability for future NASA use. The rayon based carbon precursor raw material used in PICA preform manufacturing has experienced multiple supply chain issues and required replacement and requalification at least twice in the past 25 years and a third substitution is now needed. The carbon precursor replacement challenge is twofold - the first involves finding a long-term replacement for the current rayon and the second is to assess its future availability periodically to ensure it is sustainable and be alerted if additional replacement efforts need to be initiated. This paper reviews current PICA sustainability activities to identify a rayon replacement and to establish that the capability of the new PICA derived from an alternative precursor is in family with previous versions.

An Improved Correction for Range Restricted Correlations Under Extreme, Monotonic Quadratic Nonlinearity and Heteroscedasticity.

PubMed

Culpepper, Steven Andrew

2016-06-01

Standardized tests are frequently used for selection decisions, and the validation of test scores remains an important area of research. This paper builds upon prior literature about the effect of nonlinearity and heteroscedasticity on the accuracy of standard formulas for correcting correlations in restricted samples. Existing formulas for direct range restriction require three assumptions: (1) the criterion variable is missing at random; (2) a linear relationship between independent and dependent variables; and (3) constant error variance or homoscedasticity. The results in this paper demonstrate that the standard approach for correcting restricted correlations is severely biased in cases of extreme monotone quadratic nonlinearity and heteroscedasticity. This paper offers at least three significant contributions to the existing literature. First, a method from the econometrics literature is adapted to provide more accurate estimates of unrestricted correlations. Second, derivations establish bounds on the degree of bias attributed to quadratic functions under the assumption of a monotonic relationship between test scores and criterion measurements. New results are presented on the bias associated with using the standard range restriction correction formula, and the results show that the standard correction formula yields estimates of unrestricted correlations that deviate by as much as 0.2 for high to moderate selectivity. Third, Monte Carlo simulation results demonstrate that the new procedure for correcting restricted correlations provides more accurate estimates in the presence of quadratic and heteroscedastic test score and criterion relationships.

Uncertainty Analysis via Failure Domain Characterization: Unrestricted Requirement Functions

NASA Technical Reports Server (NTRS)

Crespo, Luis G.; Kenny, Sean P.; Giesy, Daniel P.

2011-01-01

This paper proposes an uncertainty analysis framework based on the characterization of the uncertain parameter space. This characterization enables the identification of worst-case uncertainty combinations and the approximation of the failure and safe domains with a high level of accuracy. Because these approximations are comprised of subsets of readily computable probability, they enable the calculation of arbitrarily tight upper and lower bounds to the failure probability. The methods developed herein, which are based on nonlinear constrained optimization, are applicable to requirement functions whose functional dependency on the uncertainty is arbitrary and whose explicit form may even be unknown. Some of the most prominent features of the methodology are the substantial desensitization of the calculations from the assumed uncertainty model (i.e., the probability distribution describing the uncertainty) as well as the accommodation for changes in such a model with a practically insignificant amount of computational effort.

Neuronal generator patterns of olfactory event-related brain potentials in schizophrenia.

PubMed

Kayser, Jürgen; Tenke, Craig E; Malaspina, Dolores; Kroppmann, Christopher J; Schaller, Jennifer D; Deptula, Andrew; Gates, Nathan A; Harkavy-Friedman, Jill M; Gil, Roberto; Bruder, Gerard E

2010-11-01

To better characterize neurophysiologic processes underlying olfactory dysfunction in schizophrenia, nose-referenced 30-channel electroencephalogram was recorded from 32 patients and 35 healthy adults (18 and 18 male) during detection of hydrogen sulfide (constant-flow olfactometer, 200 ms unirhinal exposure). Event-related potentials (ERPs) were transformed to reference-free current source density (CSD) waveforms and analyzed by unrestricted Varimax-PCA. Participants indicated when they perceived a high (10 ppm) or low (50% dilution) odor concentration. Patients and controls did not differ in detection of high (23% misses) and low (43%) intensities and also had similar olfactory ERP waveforms. CSDs showed a greater bilateral frontotemporal N1 sink (305 ms) and mid-parietal P2 source (630 ms) for high than low intensities. N1 sink and P2 source were markedly reduced in patients for high intensity stimuli, providing further neurophysiological evidence of olfactory dysfunction in schizophrenia. Copyright © 2010 Society for Psychophysiological Research.

T-dependent activation of resting B cells mediated by concanavalin A.

PubMed

Ratcliffe, M J; Julius, M H

1984-03-01

In cultures containing long-term cultured lines of antigen-specific helper T (Th) cells, normal unprimed B cells and concanavalin A (Con A), induction of B cells to immunoglobulin secretion and DNA synthesis was observed. The plaque-forming cell (PFC) response was large (frequently greater than 75 000 PFC/10(6) input B cells) demonstrating the polyspecific nature of the response. Con A-mediated maturation and induction to DNA synthesis of responding B cells was completely Th cell dependent and inhibited with methyl-alpha-D-mannoside. Both resting and blasted B cells, separated by Percoll density centrifugation, were induced to DNA synthesis and immunoglobulin secretion. Responses were completely unrestricted by the B cell major histocompatibility complex, even at the level of the resting B cell. The polyclonal nature of the response taken together with the Con A-mediated bypassing of T cell specificity and restricting haplotype indicates that this response is analogous to lectin-mediated cytotoxicity.

Remaining Sites Verification Package for the 1607-F7, 141-M Building Septic Tank, Waste Site Reclassification Form 2006-040

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

L. M. Dittmer

2006-10-19

The 1607-F7, 141-M Building Septic Tank waste site was a septic tank and drain field that received sanitary sewage from the former 141-M Building. Remedial action was performed in August and November 2005. The results of verification sampling demonstrate that residual contaminant concentrations support future unrestricted land uses that can be represented by a rural-residential scenario. These results also show that residual concentrations support unrestricted future use of shallow zone soil and that contaminant levels remaining in the soil are protective of groundwater and the Columbia River.

Continuous recording of pulmonary artery pressure in unrestricted subjects.

PubMed Central

Ikram, H; Richards, A M; Hamilton, E J; Nicholls, M G

1984-01-01

Continuous ambulatory pulmonary artery pressures were recorded using a conventional No 5 French Goodale-Lubin filled catheter linked to the Oxford Medilog system of a portable transducer-perfusion unit and miniaturised recorder. Data retrieval and analysis were performed using a PB2 Medilog playback unit linked to a PDP 11 computer system. The total system has a frequency response linear to 8 Hz allowing accurate pressure recording over the full range of heart rates. Ten recordings in 10 patients yielded artefact free data for 80% or more of the recorded period. This inexpensive reliable method allows pulmonary artery pressures to be recorded in unrestricted subjects. Images PMID:6704262

Evaluating the parent-adolescent communication toolkit: Usability and preliminary content effectiveness of an online intervention.

PubMed

Toombs, Elaine; Unruh, Anita; McGrath, Patrick

2018-01-01

This study aimed to assess the Parent-Adolescent Communication Toolkit, an online intervention designed to help improve parent communication with their adolescents. Participant preferences for two module delivery systems (sequential and unrestricted module access) were identified. Usability assessment of the PACT intervention was completed using pre-test and posttest comparisons. Usability data, including participant completion and satisfaction ratings were examined. Parents ( N  =   18) of adolescents were randomized to a sequential or unrestricted chapter access group. Parent participants completed pre-test measures, the PACT intervention and posttest measures. Participants provided feedback for the intervention to improve modules and provided usability ratings. Adolescent pre- and posttest ratings were evaluated. Usability ratings were high and parent feedback was positive. The sequential module access groups rated the intervention content higher and completed more content than the unrestricted chapter access group, indicating support for the sequential access design. Parent mean posttest communication scores were significantly higher ( p  <   .05) than pre-test scores. No significant differences were detected for adolescent participants. Findings suggest that the Parent-Adolescent Communication Toolkit has potential to improve parent-adolescent communication but further effectiveness assessment is required.

Sociosexually unrestricted parents have more sons: a further application of the generalized Trivers-Willard hypothesis (gTWH).

PubMed

Kanazawa, Satoshi; Apari, Péter

2009-01-01

The generalized Trivers-Willard hypothesis (gTWH) proposes that parents who possess any heritable trait which increases male reproductive success at a greater rate than female reproductive success in a given environment will have a higher-than-expected offspring sex ratio, and parents who possess any heritable trait which increases the female reproductive success at a greater rate than male reproductive success in a given environment will have a lower-than-expected offspring sex ratio. One heritable trait which increases the reproductive success of sons much more than that of daughters is unrestricted sociosexual orientation. We therefore predict that parents with unrestricted sociosexual orientation (measured by the number of sexual partners, frequency of sex, and attitudes toward relationship commitment and sexual exclusivity) have a higher-than-expected offspring sex ratio (more sons). We analyse the US General Social Surveys and the National Longitudinal Study of Adolescent Health (Add Health), both with large nationally representative samples. Our analyses support the prediction from the gTWH. One standard deviation increase in unrestrictedness of sociosexual orientation increases the odds of having a son by 12-19% in the representative American samples.

"It's our DNA, we deserve the right to test!" A content analysis of a petition for the right to access direct-to-consumer genetic testing.

PubMed

Su, Yeyang; Borry, Pascal; Otte, Ina C; Howard, Heidi C

2013-09-01

Various companies are currently advertising or selling genetic tests over the internet using a model of provision referred to as 'direct-to-consumer' (DTC). This commercial offer of DTC genetic testing (GT) has fueled a number of scientific, ethical and policy debates. To date there have been few studies published regarding the users' perspective. This study aimed to obtain information regarding the issues raised by individuals who signed a petition in support of DTC GT and the 'unrestricted' access to their genetic information. We conducted qualitative content analysis of comments written by individuals who signed a public online petition initiated by DIYgenomics (CA, USA) to support "personal access to genetic information". Of the 523 individuals who signed the petition sponsored by DIYgenomics, 247 individuals also wrote individual comments. A content analysis of these comments reveals that petitioners raised six main issues in support of unrestricted access to DTC GT: that their ownership of their DNA should allow them to have unrestricted access to their genomic information; that they should have the right to their genomic information; that the government has no place in (further) regulating DTC GT; that healthcare professionals should not be placed as intermediaries when purchasing DTC GT services; that many petioners who had already obtained DTC GT had positive experiences with this model of provision; and that genealogy or ancestry DNA testing is one of the main activities petitioners wish to have 'unrestricted' or 'direct' access. These results give insight into why individuals may support unrestricted access to their genomic information and confirm some of the motivations of users for purchasing DTC GT. Our analysis also brings to the forefront themes that have been raised less often in empirical studies involving motivations to purchase DTC GT services; these include the strongly held beliefs of some petitioners that, since they own their DNA, they should have the right to access the information without (further) government control or physician involvement. Interestingly, the comments left by petitioners also reveal a certain distrust of governmental agencies and healthcare professionals. This urges us to further study the public's views of these services and the potential impact of these views in order to responsibly address the ongoing debate on DTC GT.

Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory.

PubMed

Li, Zhendong; Liu, Wenjian

2010-08-14

The spin-adaptation of single-reference quantum chemical methods for excited states of open-shell systems has been nontrivial. The primary reason is that the configuration space, generated by a truncated rank of excitations from only one component of a reference multiplet, is spin-incomplete. Those "missing" configurations are of higher ranks and can, in principle, be recaptured by a particular class of excitation operators. However, the resulting formalisms are then quite involved and there are situations [e.g., time-dependent density functional theory (TD-DFT) under the adiabatic approximation] that prevent one from doing so. To solve this issue, we propose here a tensor-coupling scheme that invokes all the components of a reference multiplet (i.e., a tensor reference) rather than increases the excitation ranks. A minimal spin-adapted n-tuply excited configuration space can readily be constructed by tensor products between the n-tuple tensor excitation operators and the chosen tensor reference. Further combined with the tensor equation-of-motion formalism, very compact expressions for excitation energies can be obtained. As a first application of this general idea, a spin-adapted open-shell random phase approximation is first developed. The so-called "translation rule" is then adopted to formulate a spin-adapted, restricted open-shell Kohn-Sham (ROKS)-based TD-DFT (ROKS-TD-DFT). Here, a particular symmetry structure has to be imposed on the exchange-correlation kernel. While the standard ROKS-TD-DFT can access only excited states due to singlet-coupled single excitations, i.e., only some of the singly excited states of the same spin (S(i)) as the reference, the new scheme can capture all the excited states of spin S(i)-1, S(i), or S(i)+1 due to both singlet- and triplet-coupled single excitations. The actual implementation and computation are very much like the (spin-contaminated) unrestricted Kohn-Sham-based TD-DFT. It is also shown that spin-contaminated spin-flip configuration interaction approaches can easily be spin-adapted via the tensor-coupling scheme.

Chronic sleep restriction induces long-lasting changes in adenosine and noradrenaline receptor density in the rat brain.

PubMed

Kim, Youngsoo; Elmenhorst, David; Weisshaupt, Angela; Wedekind, Franziska; Kroll, Tina; McCarley, Robert W; Strecker, Robert E; Bauer, Andreas

2015-10-01

Although chronic sleep restriction frequently produces long-lasting behavioural and physiological impairments in humans, the underlying neural mechanisms are unknown. Here we used a rat model of chronic sleep restriction to investigate the role of brain adenosine and noradrenaline systems, known to regulate sleep and wakefulness, respectively. The density of adenosine A1 and A2a receptors and β-adrenergic receptors before, during and following 5 days of sleep restriction was assessed with autoradiography. Rats (n = 48) were sleep-deprived for 18 h day(-1) for 5 consecutive days (SR1-SR5), followed by 3 unrestricted recovery sleep days (R1-R3). Brains were collected at the beginning of the light period, which was immediately after the end of sleep deprivation on sleep restriction days. Chronic sleep restriction increased adenosine A1 receptor density significantly in nine of the 13 brain areas analysed with elevations also observed on R3 (+18 to +32%). In contrast, chronic sleep restriction reduced adenosine A2a receptor density significantly in one of the three brain areas analysed (olfactory tubercle which declined 26-31% from SR1 to R1). A decrease in β-adrenergic receptors density was seen in substantia innominata and ventral pallidum which remained reduced on R3, but no changes were found in the anterior cingulate cortex. These data suggest that chronic sleep restriction can induce long-term changes in the brain adenosine and noradrenaline receptors, which may underlie the long-lasting neurocognitive impairments observed in chronic sleep restriction. © 2015 European Sleep Research Society.

Extension of the KLI approximation toward the exact optimized effective potential.

PubMed

Iafrate, G J; Krieger, J B

2013-03-07

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Extension of the KLI approximation toward the exact optimized effective potential

NASA Astrophysics Data System (ADS)

Iafrate, G. J.; Krieger, J. B.

2013-03-01

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.

Four aspects to make science open "by design" and not as an after-thought.

PubMed

Halchenko, Yaroslav O; Hanke, Michael

2015-01-01

Unrestricted dissemination of methodological developments in neuroimaging became the propelling force in advancing our understanding of brain function. However, despite such a rich legacy, it remains not uncommon to encounter software and datasets that are distributed under unnecessarily restricted terms, or that violate terms of third-party products (software or data). With this brief correspondence we would like to recapitulate four important aspects of scientific research practice, which should be taken into consideration as early as possible in the course of any project. Keeping these in check will help neuroimaging to stay at the forefront of the open science movement.

Localization of holes near charged defects in orbitally degenerate, doped Mott insulators

NASA Astrophysics Data System (ADS)

Avella, Adolfo; Oleś, Andrzej M.; Horsch, Peter

2018-05-01

We study the role of charged defects, disorder and electron-electron (e-e) interactions in a multiband model for t2g electrons in vanadium perovskites R1-xCaxVO3 (R = La,…,Y). By means of unrestricted Hartree-Fock calculations, we find that the atomic multiplet structure persists up to 50% Ca doping. Using the inverse participation number, we explore the degree of localization and its doping dependence for all electronic states. The observation of strongly localized wave functions is consistent with our conjecture that doped holes form spin-orbital polarons that are strongly bound to the charged Ca2+ defects. Interestingly, the long-range e-e interactions lead to a discontinuity in the wave function size across the chemical potential, where the electron removal states are more localized than the addition states.

Effects of mouse slant and desktop position on muscular and postural stresses, subject preference and performance in women aged 18-40 years.

PubMed

Gaudez, Clarisse; Cail, François

2016-11-01

This study compared muscular and postural stresses, performance and subject preference in women aged 18-40 years using a standard mouse, a vertical mouse and a slanted mouse in three different computer workstation positions. Four tasks were analysed: pointing, pointing-clicking, pointing-clicking-dragging and grasping-pointing the mouse after typing. Flexor digitorum superficialis (FDS) and extensor carpi radialis (ECR) activities were greater using the standard mouse compared to the vertical or slanted mouse. In all cases, the wrist position remained in the comfort zone recommended by standard ISO 11228-3. The vertical mouse was less comfortable and more difficult to use than the other two mice. FDS and ECR activities, shoulder abduction and wrist extension were greater when the mouse was placed next to the keyboard. Performance and subject preference were better with the unrestricted mouse positioning on the desktop. Grasping the mouse after typing was the task that caused the greatest stress. Practitioner Summary: In women, the slanted mouse and the unrestricted mouse positioning on the desktop provide a good blend of stresses, performance and preference. Unrestricted mouse positioning requires no keyboard, which is rare in practice. Placing the mouse in front of the keyboard, rather than next to it, reduced the physical load.

Student Blogging: Implications for Learning in a Virtual Text-Based Environment

NASA Astrophysics Data System (ADS)

Deed, Craig; Edwards, Anthony

Realising the potential for web-based communication in learning and teaching is challenging for educators. The purpose of this paper is to report students' attitudes and perception of active learning when using an unrestricted blog in an academic context. It will examine if an unrestricted blog can be used to support reflective and critical discussion leading to the construction of knowledge whether. Unrestricted in this context refers to autonomous individual and group activity undertaken in an unstructured online environment. It will attempt provide an insight into what students make of working at the intersection between academic and online environments. Data was collected using an online survey with questions focused on student perceptions of the type, frequency and effectiveness of their strategy use. Analysis of the resulting material was conducted using Bloom's revised taxonomy to determine whether student strategy was useful in supporting the construction of knowledge. Our research indicates that students need to suitably prepare themselves or be prepared by others to make the most effective use of their prior familiarity with this form of communication technology (which is usually informal) in order to constructing knowledge in an academic context. Thus we conclude that effective learning will only emerge from considered pedagogical design, informed by the student experience and perspective.

The Effects of Long Time Conservation of Heavily Grazed Shrubland: A Case Study in the Northern Negev, Israel

NASA Astrophysics Data System (ADS)

Leu, Stefan; Mussery, Amir Mor; Budovsky, Arie

2014-08-01

One of the major reasons for desertification is unrestricted grazing leading to vegetation depletion, soil erosion and degradation, phenomena often considered irreversible in the short term. Here, we compare soil and biological parameters of degraded and conserved, recently rehabilitated arid shrubland in the Northern Negev, Israel. The study area was restored by conservation efforts including a strictly controlled grazing regime initiated in 1992. The visually recognizable improvement in the ecology of the restored shrubland is reflected in significant improvement in all examined biotic (herbaceous biomass, shrub patch density, and insect activity), and soil parameters (nutrients, organic matter content, moisture, and water infiltration). The difference is created predominantly by restoration of large biological patches composed of shrubs and other perennial plants often associated with ant or termite nests, where the most significant increases in productivity and soil quality were observed. In the conserved shrubland such patches covered 35 or 25 % of the area (in a normal and a drought year, respectively). In the degraded shrubland 5 % or less of the area was occupied by such patches that were much smaller and of lower biological complexity. With respect to plant biodiversity, six plant species were found only—and 18 others became significantly more common—in the rehabilitated area. The results of this article indicate that functional arid drylands can be restored within <16 years relying on strict conservation management with reduced grazing intensity.

Computational Studies of Magnetically Doped Semiconductor Nanoclusters

NASA Astrophysics Data System (ADS)

Gutsev, Lavrenty Gennady

Spin-polarized unrestricted density functional theory is used to calculate the molecular properties of magnetic semiconductor quantum dots doped with 3d-metal atoms. We calculate total energies of the low spin antiferromagnetically coupled states using a spin-flipping algorithm leading to the broken-symmetry states. Given the novel nature of the materials studied, we simulate experimental observables such as hyperfine couplings, ionization/ energies, electron affinities, first and second order polarizabilities, band gaps and exchange coupling constants. Specifically, we begin our investigation with pure clusters of (CdSe )16 and demonstrate the dependence of molecular observables on geometrical structures. We also show that the many isomers of this cluster are energetically quite closely spaced, and thus it would be necessary to employ a battery of tests to experimentally distinguish them. Next, we discuss Mn-doping into the cage (CdSe)9 cluster as well as the zinc-blende stacking type cluster (CdSe)36. We show that the local exchange coupling mechanism is ligand-mediated superexchange and simulate the isotropic hyperfine constants. Finally, we discuss a novel study where (CdSe)9 is doped with Mn or Fe up to a full replacement of all the Cd's and discuss the transition points for the magnetic behavior and specifically the greatly differing band-gap shifts. We also outline an unexpected pattern in the polarizability of the material as metals are added and compare our results with the results from theoretical studies of the bulk material.

Directed funding to address under-provision of treatment for substance use disorders: a quantitative study

PubMed Central

2013-01-01

Background Substance use disorders (SUDs) are a substantial problem in the United States (U.S.), affecting far more people than receive treatment. This is true broadly and within the U.S. military veteran population, which is our focus. To increase funding for treatment, the Veterans Health Administration (VA) has implemented several initiatives over the past decade to direct funds toward SUD treatment, supplementing the unrestricted funds VA medical centers receive. We study the ‘flypaper effect’ or the extent to which these directed funds have actually increased SUD treatment spending. Methods The study sample included all VA facilities and used observational data spanning years 2002 to 2010. Data were analyzed with a fixed effects, ordinary least squares specification with monetized workload as the dependent variable and funding dedicated to SUD specialty clinics the key dependent variable, controlling for unrestricted funding. Results We observed different effects of dedicated SUD specialty clinic funding over the period 2002 to 2008 versus 2009 to 2010. In the earlier period, there is no evidence of a significant portion of the dedicated funding sticking to its target. In the later period, a substantial proportion—38% in 2009 and 61% in 2010—of funding dedicated to SUD specialty clinics did translate into increased medical center spending for SUD treatment. In comparison, only five cents of every dollar of unrestricted funding is spent on SUD treatment. Conclusions Relative to unrestricted funding, dedicated funding for SUD treatment was much more effective in increasing workload, but only in years 2009 and 2010. The differences in those years relative to prior ones may be due to the observed management focus on SUD and SUD-related treatment in the later years. If true, this suggests that in a centrally directed healthcare organization such as the VA, funding dedicated to a service is a necessary, but not sufficient condition for increasing resources expended for that service. PMID:23866119

Directed funding to address under-provision of treatment for substance use disorders: a quantitative study.

PubMed

Frakt, Austin B; Trafton, Jodie; Wallace, Amy; Neuman, Matthew; Pizer, Steven

2013-07-18

Substance use disorders (SUDs) are a substantial problem in the United States (U.S.), affecting far more people than receive treatment. This is true broadly and within the U.S. military veteran population, which is our focus. To increase funding for treatment, the Veterans Health Administration (VA) has implemented several initiatives over the past decade to direct funds toward SUD treatment, supplementing the unrestricted funds VA medical centers receive. We study the 'flypaper effect' or the extent to which these directed funds have actually increased SUD treatment spending. The study sample included all VA facilities and used observational data spanning years 2002 to 2010. Data were analyzed with a fixed effects, ordinary least squares specification with monetized workload as the dependent variable and funding dedicated to SUD specialty clinics the key dependent variable, controlling for unrestricted funding. We observed different effects of dedicated SUD specialty clinic funding over the period 2002 to 2008 versus 2009 to 2010. In the earlier period, there is no evidence of a significant portion of the dedicated funding sticking to its target. In the later period, a substantial proportion--38% in 2009 and 61% in 2010--of funding dedicated to SUD specialty clinics did translate into increased medical center spending for SUD treatment. In comparison, only five cents of every dollar of unrestricted funding is spent on SUD treatment. Relative to unrestricted funding, dedicated funding for SUD treatment was much more effective in increasing workload, but only in years 2009 and 2010. The differences in those years relative to prior ones may be due to the observed management focus on SUD and SUD-related treatment in the later years. If true, this suggests that in a centrally directed healthcare organization such as the VA, funding dedicated to a service is a necessary, but not sufficient condition for increasing resources expended for that service.

Postoperative nausea and vomiting after unrestricted clear fluids before day surgery: A retrospective analysis.

PubMed

McCracken, Graham C; Montgomery, Jane

2018-05-01

Guidance on pre-operative fluids fasting policy continues to evolve. Current European guidelines encourage the intake of oral fluids up to 2 h before the induction of general anaesthesia. From October 2014, Torbay Hospital Day Surgery Unit commenced an unrestricted fluid policy, encouraging patients to drink clear fluids up until the time of transfer to theatre. The aim of this study was to assess the incidence of postoperative nausea and vomiting before and after the change to the unrestricted pre-operative clear oral fluids. Retrospective, before and after study. Single district general hospital between November 2013 and February 2016. A total of 11 500 patients on the day case pathway who were receiving either sedation, general anaesthesia, regional anaesthesia or their combination. The data from these patients were collected routinely. This number of patients represents approximately 78% of all patients before the change in fluids policy and 74% after the change. Exclusions were patients undergoing a termination of pregnancy, or patients undergoing community dental procedures, from whom patient experience data are not collected. Introduction of a change to the day surgery pathway policy permitting unrestricted clear oral fluids preoperatively until transfer to theatre (from October 2014). Incidence of postoperative nausea and vomiting. The rates of nausea within 24 h postoperatively were 270/5192 (5.2%) when patients could not drink within 2 h of surgery, and 179/4724 (3.8%) when patients could drink up until surgery, a relative rate (95% confidence interval) of 0.73 (0.61 to 0.88), P = 0.00074. The corresponding rates of vomiting were 146/5186 (2.8%) and 104/4716 (2.2%), a relative rate (95% confidence interval) of 0.78 (0.61 to 1.00), P = 0.053. Our data suggest that the liberal consumption of clear fluids before the induction of scheduled day case anaesthesia reduced the rates of postoperative nausea and vomiting.

Weed control in rose-scented geranium (Pelargonium spp).

PubMed

Kothari, Sushil K; Singh, Chandra P; Singh, Kamla

2002-12-01

Abstract: Field investigations were carried out during 1999 and 2000 to identify effective chemical/ cultural methods of weed control in rose-scented geranium (Pelargonium spp). The treatments comprised pre-emergence applications of oxyfluorfen (0.15, 0.20 and 0.25 kg AI ha(-1)) and pendimethalin (0.50, 0.75 and 1.00kg AI ha(-1)), successive hand weeding, hoeing and mulching using spent of lemon grass (at 5 tonnes ha(-1)) 45 days after planting (DAP), three hand-weedings 30, 60 and 90 DAP, weed-free (frequent manual weeding) and weedy control. Broad-leaf weeds were more predominant than grass and sedge weeds, accounting for 85.8% weed density and 93.0% weed dry weight in 1999 and 77.2% weed density and 93.9% weed dry weight in 2000. Unrestricted weed growth significantly reduced geranium oil yield, by 61.6% and 70.6% in 1999 and 2000, respectively. Pre-emergence application of pendimethalin (0.75-1.00 kgAI ha(-1)) or oxyfluorfen (0.25 kg AI ha(-1)), successive hand-weeding, hoeing and mulching and three hand-weedings were highly effective in reducing weed density and dry weight and gave oil yield comparable to the weed-free check. Application of oxyfluorfen (0.15 or 0.20 kg AI ha(-1)) and pendimethalin (0.50 kg AI ha(-1)) were less effective in controlling the weed species in geranium. None of the herbicides impaired the quality of rose-scented geranium oil measured in terms of citronellol and geraniol content.

Outcomes of Open Dorsal Wrist Ganglion Excision in Active-Duty Military Personnel.

PubMed

Balazs, George C; Donohue, Michael A; Drake, Matthew L; Ipsen, Derek; Nanos, George P; Tintle, Scott M

2015-09-01

To examine the most common presenting complaints of active-duty service members with isolated dorsal wrist ganglions and to determine the rate of return to unrestricted duty after open excision. Surgical records at 2 military facilities were screened to identify male and female active duty service members undergoing isolated open excision of dorsal wrist ganglions from January 1, 2006 to January 1, 2014. Electronic medical records and service disability databases were searched to identify the most common presenting symptoms and to determine whether patients returned to unrestricted active duty after surgery. Postoperative outcomes examined were pain persisting greater than 4 weeks after surgery, stiffness requiring formal occupational therapy treatment, surgical wound complications, and recurrence. A total of 125 active duty military personnel (Army, 54; Navy, 43; and Marine Corps, 28) met criteria for inclusion. Mean follow-up was 45 months. Fifteen percent (8 of 54) of the Army personnel were given permanent waivers from performing push-ups owing to persistent pain and stiffness. Pain persisting greater than 4 weeks after surgery was an independent predictor of eventual need for a permanent push-up waiver. The overall recurrence incidence was 9%. No demographic or perioperative factors were associated with recurrence. Patients whose occupation or activities require forceful wrist extension should be counseled on the considerable risk of residual pain and functional limitations that may occur after open dorsal wrist ganglion excision. Therapeutic IV. Published by Elsevier Inc.

An MR-compatible gyroscope-based arm movement tracking system.

PubMed

Shirinbayan, S Iman; Rieger, Jochem W

2017-03-15

Functional magnetic resonance imaging is well suited to link neural population activation with movement parameters of complex natural arm movements. However, currently existing MR-compatible arm tracking devices are not constructed to measure arm joint movement parameters of unrestricted movements. Therefore, to date most research focuses on simple arm movements or includes very little knowledge about the actual movement kinematics. We developed a low cost gyroscope-based arm movement tracking system (GAMTS) that features MR-compatibility. The system consists of dual-axis analogue gyroscopes that measure rotations of upper and lower arm joints. After MR artifact reduction, the rotation angles of the individual arm joints are calculated and used to animate a realistic arm model that is implemented in the OpenSim platform. The OpenSim platform can then provide the kinematics of any point on the arm model. In order to demonstrate the capabilities of the system, we first assessed the quality of reconstructed wrist movements in a low-noise environment where typical MR-related problems are absent and finally, we validated the reconstruction in the MR environment. The system provides the kinematics of the whole arm when natural unrestricted arm movements are performed inside the MR-scanner. The GAMTS is reliably capable of reconstructing the kinematics of trajectories and the reconstruction error is small in comparison with the movement induced variation of speed, displacement, and rotation. Moreover, the system can be used to probe brain areas for their correlation with movement kinematics. Copyright © 2017 Elsevier B.V. All rights reserved.

Disabling hand injuries in boxing: boxer's knuckle and traumatic carpal boss.

PubMed

Melone, Charles P; Polatsch, Daniel B; Beldner, Steven

2009-10-01

This article describes the treatment of the two most debilitating hand-related boxing injuries: boxer's knuckle and traumatic carpal boss. Recognition of the normal anatomy as well as the predictable pathology facilitates an accurate diagnosis and precision surgery. For boxer's knuckle, direct repair of the disrupted extensor hood, without the need for tendon augmentation, has been consistently employed; for traumatic carpal boss, arthrodesis of the destabilized carpometacarpal joints has been the preferred method of treatment. Precisely executed operative treatment of both injuries has resulted in a favorable outcome, as in the vast majority of cases the boxers have experienced relief of pain, restoration of function, and an unrestricted return to competition.

Emergent biomarker derived from next-generation sequencing to identify pain patients requiring uncommonly high opioid doses

PubMed Central

Kringel, D; Ultsch, A; Zimmermann, M; Jansen, J-P; Ilias, W; Freynhagen, R; Griessinger, N; Kopf, A; Stein, C; Doehring, A; Resch, E; Lötsch, J

2017-01-01

Next-generation sequencing (NGS) provides unrestricted access to the genome, but it produces ‘big data’ exceeding in amount and complexity the classical analytical approaches. We introduce a bioinformatics-based classifying biomarker that uses emergent properties in genetics to separate pain patients requiring extremely high opioid doses from controls. Following precisely calculated selection of the 34 most informative markers in the OPRM1, OPRK1, OPRD1 and SIGMAR1 genes, pattern of genotypes belonging to either patient group could be derived using a k-nearest neighbor (kNN) classifier that provided a diagnostic accuracy of 80.6±4%. This outperformed alternative classifiers such as reportedly functional opioid receptor gene variants or complex biomarkers obtained via multiple regression or decision tree analysis. The accumulation of several genetic variants with only minor functional influences may result in a qualitative consequence affecting complex phenotypes, pointing at emergent properties in genetics. PMID:27139154

Emergent biomarker derived from next-generation sequencing to identify pain patients requiring uncommonly high opioid doses.

PubMed

Kringel, D; Ultsch, A; Zimmermann, M; Jansen, J-P; Ilias, W; Freynhagen, R; Griessinger, N; Kopf, A; Stein, C; Doehring, A; Resch, E; Lötsch, J

2017-10-01

Next-generation sequencing (NGS) provides unrestricted access to the genome, but it produces 'big data' exceeding in amount and complexity the classical analytical approaches. We introduce a bioinformatics-based classifying biomarker that uses emergent properties in genetics to separate pain patients requiring extremely high opioid doses from controls. Following precisely calculated selection of the 34 most informative markers in the OPRM1, OPRK1, OPRD1 and SIGMAR1 genes, pattern of genotypes belonging to either patient group could be derived using a k-nearest neighbor (kNN) classifier that provided a diagnostic accuracy of 80.6±4%. This outperformed alternative classifiers such as reportedly functional opioid receptor gene variants or complex biomarkers obtained via multiple regression or decision tree analysis. The accumulation of several genetic variants with only minor functional influences may result in a qualitative consequence affecting complex phenotypes, pointing at emergent properties in genetics.

Reprint of "pFind-Alioth: A novel unrestricted database search algorithm to improve the interpretation of high-resolution MS/MS data".

PubMed

Chi, Hao; He, Kun; Yang, Bing; Chen, Zhen; Sun, Rui-Xiang; Fan, Sheng-Bo; Zhang, Kun; Liu, Chao; Yuan, Zuo-Fei; Wang, Quan-Hui; Liu, Si-Qi; Dong, Meng-Qiu; He, Si-Min

2015-11-03

Database search is the dominant approach in high-throughput proteomic analysis. However, the interpretation rate of MS/MS spectra is very low in such a restricted mode, which is mainly due to unexpected modifications and irregular digestion types. In this study, we developed a new algorithm called Alioth, to be integrated into the search engine of pFind, for fast and accurate unrestricted database search on high-resolution MS/MS data. An ion index is constructed for both peptide precursors and fragment ions, by which arbitrary digestions and a single site of any modifications and mutations can be searched efficiently. A new re-ranking algorithm is used to distinguish the correct peptide-spectrum matches from random ones. The algorithm is tested on several HCD datasets and the interpretation rate of MS/MS spectra using Alioth is as high as 60%-80%. Peptides from semi- and non-specific digestions, as well as those with unexpected modifications or mutations, can be effectively identified using Alioth and confidently validated using other search engines. The average processing speed of Alioth is 5-10 times faster than some other unrestricted search engines and is comparable to or even faster than the restricted search algorithms tested.This article is part of a Special Issue entitled: Computational Proteomics. Copyright © 2015 Elsevier B.V. All rights reserved.

Cystic Fibrosis-Related Diabetes (CFRD): Daily Management

MedlinePlus

Cystic Fibrosis-Related Diabetes (CFRD): Daily Management September 20, 2011 This Web cast is supported by an unrestricted educational grant from Genentech, Inc. Antoinette, Moran, MD Professor, Pediatric Endocrinology ...

Design and implementation of a P300-based brain-computer interface for controlling an internet browser.

PubMed

Mugler, Emily M; Ruf, Carolin A; Halder, Sebastian; Bensch, Michael; Kubler, Andrea

2010-12-01

An electroencephalographic (EEG) brain-computer interface (BCI) internet browser was designed and evaluated with 10 healthy volunteers and three individuals with advanced amyotrophic lateral sclerosis (ALS), all of whom were given tasks to execute on the internet using the browser. Participants with ALS achieved an average accuracy of 73% and a subsequent information transfer rate (ITR) of 8.6 bits/min and healthy participants with no prior BCI experience over 90% accuracy and an ITR of 14.4 bits/min. We define additional criteria for unrestricted internet access for evaluation of the presented and future internet browsers, and we provide a review of the existing browsers in the literature. The P300-based browser provides unrestricted access and enables free web surfing for individuals with paralysis.

Mycobacterium abscessus-Induced Granuloma Formation Is Strictly Dependent on TNF Signaling and Neutrophil Trafficking

PubMed Central

Bernut, Audrey; Nguyen-Chi, Mai; Kremer, Laurent

2016-01-01

Mycobacterium abscessus is considered the most common respiratory pathogen among the rapidly growing non-tuberculous mycobacteria. Infections with M. abscessus are increasingly found in patients with chronic lung diseases, especially cystic fibrosis, and are often refractory to antibiotic therapy. M. abscessus has two morphotypes with distinct effects on host cells and biological responses. The smooth (S) variant is recognized as the initial airway colonizer while the rough (R) is known to be a potent inflammatory inducer associated with invasive disease, but the underlying immunopathological mechanisms of the infection remain unsolved. We conducted a comparative stepwise dissection of the inflammatory response in S and R pathogenesis by monitoring infected transparent zebrafish embryos. Loss of TNFR1 function resulted in increased mortality with both variants, and was associated with unrestricted intramacrophage bacterial growth and decreased bactericidal activity. The use of transgenic zebrafish lines harboring fluorescent macrophages and neutrophils revealed that neutrophils, like macrophages, interact with M. abscessus at the initial infection sites. Impaired TNF signaling disrupted the IL8-dependent neutrophil mobilization, and the defect in neutrophil trafficking led to the formation of aberrant granulomas, extensive mycobacterial cording, unrestricted bacterial growth and subsequent larval death. Our findings emphasize the central role of neutrophils for the establishment and maintenance of the protective M. abscessus granulomas. These results also suggest that the TNF/IL8 inflammatory axis is necessary for protective immunity against M. abscessus and may be of clinical relevance to explain why immunosuppressive TNF therapy leads to the exacerbation of M. abscessus infections. PMID:27806130

Hepatocyte growth factor/c-MET axis-mediated tropism of cord blood-derived unrestricted somatic stem cells for neuronal injury.

PubMed

Trapp, Thorsten; Kögler, Gesine; El-Khattouti, Abdelouahid; Sorg, Rüdiger V; Besselmann, Michael; Föcking, Melanie; Bührle, Christian P; Trompeter, Ingo; Fischer, Johannes C; Wernet, Peter

2008-11-21

An under-agarose chemotaxis assay was used to investigate whether unrestricted somatic stem cells (USSC) that were recently characterized in human cord blood are attracted by neuronal injury in vitro. USSC migrated toward extracts of post-ischemic brain tissue of mice in which stroke had been induced. Moreover, apoptotic neurons secrete factors that strongly attracted USSC, whereas necrotic and healthy neurons did not. Investigating the expression of growth factors and chemokines in lesioned brain tissue and neurons and of their respective receptors in USSC revealed expression of hepatocyte growth factor (HGF) in post-ischemic brain and in apoptotic but not in necrotic neurons and of the HGF receptor c-MET in USSC. Neuronal lesion-triggered migration was observed in vitro and in vivo only when c-MET was expressed at a high level in USSC. Neutralization of the bioactivity of HGF with an antibody inhibited migration of USSC toward neuronal injury. This, together with the finding that human recombinant HGF attracts USSC, document that HGF signaling is necessary for the tropism of USSC for neuronal injury. Our data demonstrate that USSC have the capacity to migrate toward apoptotic neurons and injured brain. Together with their neural differentiation potential, this suggests a neuroregenerative potential of USSC. Moreover, we provide evidence for a hitherto unrecognized pivotal role of the HGF/c-MET axis in guiding stem cells toward brain injury, which may partly account for the capability of HGF to improve function in the diseased central nervous system.

10 CFR 960.5-2-3 - Meteorology.

Code of Federal Regulations, 2011 CFR

2011-01-01

... REPOSITORY Preclosure Guidelines Preclosure Radiological Safety § 960.5-2-3 Meteorology. (a) Qualifying... operation and closure will not be likely to lead to radionuclide releases to an unrestricted area greater...

10 CFR 712.32 - Designated Physician.

Code of Federal Regulations, 2010 CFR

2010-01-01

... designation, of a physical, mental/personality disorder, or health condition that might affect his or her... school of medicine or osteopathy; (2) Have a valid, unrestricted state license to practice medicine in...

Support for a tax increase to provide unrestricted access to an Alzheimer's disease medication: a survey of the general public in Canada.

PubMed

Oremus, Mark; Tarride, Jean-Eric; Clayton, Natasha; Raina, Parminder

2009-12-29

Public drug insurance plans provide limited reimbursement for Alzheimer's disease (AD) medications in many jurisdictions, including Canada and the United Kingdom. This study was conducted to assess Canadians' level of support for an increase in annual personal income taxes to fund a public program of unrestricted access to AD medications. A telephone survey was administered to a national sample of 500 adult Canadians. The survey contained four scenarios describing a hypothetical, new AD medication. Descriptions varied across scenarios: the medication was alternatively described as being capable of treating the symptoms of cognitive decline or of halting the progression of cognitive decline, with either no probability of adverse effects or a 30% probability of primarily gastrointestinal adverse effects. After each scenario, participants were asked whether they would support a tax increase to provide unrestricted access to the drug. Participants who responded affirmatively were asked whether they would pay an additional $75, $150, or $225 per annum in taxes. Multivariable logistic regression analysis was conducted to examine the determinants of support for a tax increase. Eighty percent of participants supported a tax increase for at least one scenario. Support was highest (67%) for the most favourable scenario (halt progression - no adverse effects) and lowest (49%) for the least favourable scenario (symptom treatment - 30% chance of adverse effects). The odds of supporting a tax increase under at least one scenario were approximately 55% less for participants who attached higher ratings to their health state under the assumption that they had moderate AD and almost five times greater if participants thought family members or friends would somewhat or strongly approve of their decision to support a tax increase. A majority of participants would pay an additional $150 per annum in taxes, regardless of scenario. Less than 50% would pay $225. Four out of five persons in a sample of adult Canadians reported they would support a tax increase to fund unrestricted access to a hypothetical, new AD medication. These results signal a willingness to pay for at least some relaxation of reimbursement restrictions on AD medications.

Support for a tax increase to provide unrestricted access to an Alzheimer's disease medication: a survey of the general public in Canada

PubMed Central

2009-01-01

Background Public drug insurance plans provide limited reimbursement for Alzheimer's disease (AD) medications in many jurisdictions, including Canada and the United Kingdom. This study was conducted to assess Canadians' level of support for an increase in annual personal income taxes to fund a public program of unrestricted access to AD medications. Methods A telephone survey was administered to a national sample of 500 adult Canadians. The survey contained four scenarios describing a hypothetical, new AD medication. Descriptions varied across scenarios: the medication was alternatively described as being capable of treating the symptoms of cognitive decline or of halting the progression of cognitive decline, with either no probability of adverse effects or a 30% probability of primarily gastrointestinal adverse effects. After each scenario, participants were asked whether they would support a tax increase to provide unrestricted access to the drug. Participants who responded affirmatively were asked whether they would pay an additional $75, $150, or $225 per annum in taxes. Multivariable logistic regression analysis was conducted to examine the determinants of support for a tax increase. Results Eighty percent of participants supported a tax increase for at least one scenario. Support was highest (67%) for the most favourable scenario (halt progression - no adverse effects) and lowest (49%) for the least favourable scenario (symptom treatment - 30% chance of adverse effects). The odds of supporting a tax increase under at least one scenario were approximately 55% less for participants who attached higher ratings to their health state under the assumption that they had moderate AD and almost five times greater if participants thought family members or friends would somewhat or strongly approve of their decision to support a tax increase. A majority of participants would pay an additional $150 per annum in taxes, regardless of scenario. Less than 50% would pay $225. Conclusions Four out of five persons in a sample of adult Canadians reported they would support a tax increase to fund unrestricted access to a hypothetical, new AD medication. These results signal a willingness to pay for at least some relaxation of reimbursement restrictions on AD medications. PMID:20040110

Visiting hours policies in New England intensive care units: strategies for improvement.

PubMed

Lee, Melissa D; Friedenberg, Allison S; Mukpo, David H; Conray, Kayla; Palmisciano, Amy; Levy, Mitchell M

2007-02-01

Dying patients often feel isolated and alone, and restricted visiting hours in the intensive care unit (ICU) has been shown to increase anxiety and dissatisfaction in both critically ill patients and their families. Unrestricted visiting has been identified as a top-ten need by families of patients in the ICU. Because emotional distress experienced by patients and families may persist well beyond the ICU stay, an open visiting policy, by meeting the needs of patients and families, may improve the quality of end-of-life care in the ICU. This two-part study included a survey to determine the visiting hours policies of New England-area hospital ICUs, and nursing focus groups to describe challenges and barriers that nursing staff working in an open ICU have experienced and to provide solutions that will facilitate implementation of an open visiting hours policy. Two-part study: survey and focus groups. ICUs in New England and one medical ICU in a tertiary care hospital. Registered nurses employed in medical ICUs. Adult ICUs in the six New England states were located using a library listing of all regional hospitals. A telephone questionnaire interview was used to ascertain visiting hours policies in each ICU. Six focus-group sessions were conducted with nursing staff who work in an urban, northeastern ICU with 8 yrs of experience with an unrestricted visiting hours policy. A total of 171 hospitals completed the questionnaire (96%). From all ICUs surveyed, 62 (32%) had unrestricted, open visiting hours. Out of these, 57 (92%) were medical ICUs or mixed medical/surgical ICUs. Nursing staff identified three major areas of concern with an open visiting hours policy: space, conflict, and burden. Strategies for resolution that are either employed or advocated by nursing staff are described. The majority of ICUs in New England have restricted visiting hours. Only one third of ICUs have open visiting policies. Nursing concerns with an unrestricted ICU were identified and solutions were offered that may provide guidance for other ICUs considering adopting an open visiting hours policy.

Neuromuscular Evaluation With Single-Leg Squat Test at 6 Months After Anterior Cruciate Ligament Reconstruction

PubMed Central

Hall, Michael P.; Paik, Ronald S.; Ware, Anthony J.; Mohr, Karen J.; Limpisvasti, Orr

2015-01-01

Background: Criteria for return to unrestricted activity after anterior cruciate ligament (ACL) reconstruction varies, with some using time after surgery as the sole criterion—most often at 6 months. Patients may have residual neuromuscular deficits, which may increase the risk of ACL injury. A single-leg squat test (SLST) can dynamically assess for many of these deficits prior to return to unrestricted activity. Hypothesis: A significant number of patients will continue to exhibit neuromuscular deficits with SLST at 6 months after ACL reconstruction. Study Design: Cross-sectional study; Level of evidence, 3. Methods: Patients using a standardized accelerated rehabilitation protocol at their 6-month follow-up after primary ACL reconstruction were enrolled. Evaluation included bilateral SLST, single-leg hop distance, hip abduction strength, and the subjective International Knee Documentation Committee (IKDC) score. Results: Thirty-three patients were enrolled. Poor performance of the operative leg SLST was found in 15 of 33 patients (45%). Of those 15 patients, 7 (45%) had concomitant poor performance of the nonoperative leg compared with 2 of 18 patients (11%) in those who demonstrated good performance in the operative leg. The poor performers were significantly older (33.6 years) than the good performers (24.2 years) (P = .007). Those with poor performance demonstrated decreased hip abduction strength (17.6 kg operative leg vs 20.5 kg nonoperative leg) (P = .024), decreased single-leg hop distance (83.3 cm operative leg vs 112.3 cm nonoperative leg) (P = .036), and lower IKDC scores (67.9 vs 82.3) (P = .001). Conclusion: Nearly half of patients demonstrated persistent neuromuscular deficits on SLST at 6 months, which is when many patients return to unrestricted activity. Those with poor performance were of a significantly older age, decreased hip abduction strength, decreased single-leg hop distance, and lower IKDC subjective scores. Clinical Relevance: The SLST can be used to identify neuromuscular risk factors for ACL rupture. Many patients at 6 months have persistent neuromuscular deficits on SLST. Caution should be used when using time alone to determine when patients can return to unrestricted activity. PMID:26665033

46 CFR 134.140 - Structural standards.

Code of Federal Regulations, 2010 CFR

2010-10-01

...”, assuming a steady wind speed of 100 knots for liftboats in unrestricted service, and 70 knots for liftboats in restricted service under normal operating conditions and 100 knots under severe storm conditions...

Competitive Adsorption and Ordered Packing of Counterions near Highly Charged Surfaces: From Mean-Field Theory to Monte Carlo Simulations

PubMed Central

Wen, Jiayi; Zhou, Shenggao; Xu, Zhenli; Li, Bo

2013-01-01

Competitive adsorption of counterions of multiple species to charged surfaces is studied by a size-effect included mean-field theory and Monte Carlo (MC) simulations. The mean-field electrostatic free-energy functional of ionic concentrations, constrained by Poisson’s equation, is numerically minimized by an augmented Lagrangian multiplier method. Unrestricted primitive models and canonical ensemble MC simulations with the Metropolis criterion are used to predict the ionic distributions around a charged surface. It is found that, for a low surface charge density, the adsorption of ions with a higher valence is preferable, agreeing with existing studies. For a highly charged surface, both of the mean-field theory and MC simulations demonstrate that the counterions bind tightly around the charged surface, resulting in a stratification of counterions of different species. The competition between mixed entropy and electrostatic energetics leads to a compromise that the ionic species with a higher valence-to-volume ratio has a larger probability to form the first layer of stratification. In particular, the MC simulations confirm the crucial role of ionic valence-to-volume ratios in the competitive adsorption to charged surfaces that had been previously predicted by the mean-field theory. The charge inversion for ionic systems with salt is predicted by the MC simulations but not by the mean-field theory. This work provides a better understanding of competitive adsorption of counterions to charged surfaces and calls for further studies on the ionic size effect with application to large-scale biomolecular modeling. PMID:22680474

Competitive adsorption and ordered packing of counterions near highly charged surfaces: From mean-field theory to Monte Carlo simulations.

PubMed

Wen, Jiayi; Zhou, Shenggao; Xu, Zhenli; Li, Bo

2012-04-01

Competitive adsorption of counterions of multiple species to charged surfaces is studied by a size-effect-included mean-field theory and Monte Carlo (MC) simulations. The mean-field electrostatic free-energy functional of ionic concentrations, constrained by Poisson's equation, is numerically minimized by an augmented Lagrangian multiplier method. Unrestricted primitive models and canonical ensemble MC simulations with the Metropolis criterion are used to predict the ionic distributions around a charged surface. It is found that, for a low surface charge density, the adsorption of ions with a higher valence is preferable, agreeing with existing studies. For a highly charged surface, both the mean-field theory and the MC simulations demonstrate that the counterions bind tightly around the charged surface, resulting in a stratification of counterions of different species. The competition between mixed entropy and electrostatic energetics leads to a compromise that the ionic species with a higher valence-to-volume ratio has a larger probability to form the first layer of stratification. In particular, the MC simulations confirm the crucial role of ionic valence-to-volume ratios in the competitive adsorption to charged surfaces that had been previously predicted by the mean-field theory. The charge inversion for ionic systems with salt is predicted by the MC simulations but not by the mean-field theory. This work provides a better understanding of competitive adsorption of counterions to charged surfaces and calls for further studies on the ionic size effect with application to large-scale biomolecular modeling.

12 CFR 1274.2 - Audit requirements.

Code of Federal Regulations, 2011 CFR

2011-01-01

... General of the United States. (d) An independent, external auditor must meet at least twice each year with... examiners shall have unrestricted access to all auditors' work papers and to the auditors to address...

Attitude dynamics simulation subroutines for systems of hinge-connected rigid bodies with nonrigid appendages

NASA Technical Reports Server (NTRS)

Fleischer, G. E.; Likins, P. W.

1975-01-01

Three computer subroutines designed to solve the vector-dyadic differential equations of rotational motion for systems that may be idealized as a collection of hinge-connected rigid bodies assembled in a tree topology, with an optional flexible appendage attached to each body are reported. Deformations of the appendages are mathematically represented by modal coordinates and are assumed small. Within these constraints, the subroutines provide equation solutions for (1) the most general case of unrestricted hinge rotations, with appendage base bodies nominally rotating at a constant speed, (2) the case of unrestricted hinge rotations between rigid bodies, with the restriction that those rigid bodies carrying appendages are nominally nonspinning, and (3) the case of small hinge rotations and nominally nonrotating appendages. Sample problems and their solutions are presented to illustrate the utility of the computer programs.

Health assessment for Lake Sandy Jo Landfill, Gary, Indiana, Region 5. CERCLIS No. IND980500524. Final report

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

Not Available

1985-11-21

The 50-acre Lake Sandy Jo Landfill is located in the Black Oak community (predominantly residential) of southwestern Gary in Lake County, Indiana. From about 1971 until about 1980, the lake was filled in with construction and demolition debris, municipal garbage, industrial wastes, hazardous materials, and possibly drummed wastes. These wastes are partly to completely exposed on the landfill surface. Surface soil, subsurface soil, surface water, sediment, and ground water show a variety of metal and organic chemical carcinogens. Toxic noncarcinogen priority pollutants found were chloromethane, copper, cyanide, lead, mercury, and silver. Inorganic soil levels found on the site for leadmore » and cadmium exceed levels of concern that would permit unrestricted use of the site. Remedial measures would be necessary before the site could be granted unrestricted use.« less

Net joint moments and muscle activation in barbell squats without and with restricted anterior leg rotation.

PubMed

Chiu, Loren Z F; vonGaza, Gabriella L; Jean, Liane M Y

2017-01-01

Muscle utilisation in squat exercise depends on technique. The purpose of this study was to compare net joint moments (NJMs) and muscle activation during squats without and with restricted leg dorsiflexion. Experienced men (n = 5) and women (n = 4) performed full squats at 80% one repetition maximum. 3D motion analysis, force platform and (EMG) data were collected. Restricting anterior leg rotation reduced anterior leg (P = 0.001) and posterior thigh (P < 0.001) rotations, resulting in a smaller knee flexion range of motion (P < 0.001). At maximum squat depth, ankle plantar flexor (P < 0.001) and knee extensor (P < 0.001) NJM were higher in unrestricted squats. Hip extensor NJM (P = 0.14) was not different between squat types at maximum squat depth. Vastus lateralis (P > 0.05), vastus medialis (P > 0.05) and rectus femoris (P > 0.05) EMG were not different between squat types. Unrestricted squats have higher ankle plantar flexor and knee extensor NJM than previously reported from jumping and landing. However, ankle plantar flexor and knee extensor NJM are lower in restricted squats than previous studies of jumping and landing. The high NJM in unrestricted squat exercise performed through a full range of motion suggests this squat type would be more effective to stimulate adaptations in the lower extremity musculature than restricted squats.

Questioning the efficacy of 'gold' open access to published articles.

PubMed

Fredericks, Suzanne

2015-07-01

To question the efficacy of 'gold' open access to published articles. Open access is unrestricted access to academic, theoretical and research literature that is scholarly and peer-reviewed. Two models of open access exist: 'gold' and 'green'. Gold open access provides everyone with access to articles during all stages of publication, with processing charges paid by the author(s). Green open access involves placing an already published article into a repository to provide unrestricted access, with processing charges incurred by the publisher. This is a discussion paper. An exploration of the relative benefits and drawbacks of the 'gold' and 'green' open access systems. Green open access is a more economic and efficient means of granting open access to scholarly literature but a large number of researchers select gold open access journals as their first choices for manuscript submissions. This paper questions the efficacy of gold open access models and presents an examination of green open access models to encourage nurse researchers to consider this approach. In the current academic environment, with increased pressures to publish and low funding success rates, it is difficult to understand why gold open access still exists. Green open access enhances the visibility of an academic's work, as increased downloads of articles tend to lead to increased citations. Green open access is the cheaper option, as well as the most beneficial choice, for universities that want to provide unrestricted access to all literature at minimal risk.

Anaerobic/aerobic treatment of greywater via UASB and MBR for unrestricted reuse.

PubMed

Abdel-Shafy, Hussein I; Al-Sulaiman, Ahmed Makki; Mansour, Mona S M

2015-01-01

The aim of the present study was to investigate the efficiency of integrated up-flow anaerobic sludge blanket (UASB) as anaerobic system followed by membrane bioreactor (MBR) as aerobic system for the treatment of greywater for unrestricted reuse. Pilot-scale UASB and MBR units were installed and operated in the NRC, Egypt. Real raw greywater was subjected to UASB and the effluent was further treated with microfiltration MBR. The necessary trans-membrane pressure difference is applied by the water head above the membrane (gravity flow) without any energy input. The average characteristics of the raw greywater were 95, 392, 298, 10.45, 0.4, 118.5 and 28 mg/L for total suspended solids (TSS), chemical oxygen demand (COD), biochemical oxygen demand (BOD), total phosphates, nitrates, oil and grease, and total Kjeldahl nitrogen (TKN), respectively. The pH was 6.71. The UASB treatment efficiency reached 19.3, 57.8, 67.5 and 83.7% for TSS, COD, BOD5 and oil and grease, respectively. When the UASB effluent was further treated with MBR, the overall removal rate achieved 97.7, 97.8, 97.4 and 95.8% for the same parameters successively. The characteristics of the final effluent reached 2.5, 8.5, 6.1, 0.95, 4.6 and 2.3 mg/L for TSS, COD, BOD, phosphates, oil and grease and TKN, respectively. This final treated effluent could cope with the unrestricted water reuse of local Egyptian guidelines.

Validation of the internalization of the Model Minority Myth Measure (IM-4) and its link to academic performance and psychological adjustment among Asian American adolescents.

PubMed

Yoo, Hyung Chol; Miller, Matthew J; Yip, Pansy

2015-04-01

There is limited research examining psychological correlates of a uniquely racialized experience of the model minority stereotype faced by Asian Americans. The present study examined the factor structure and fit of the only published measure of the internalization of the model minority myth, the Internalization of the Model Minority Myth Measure (IM-4; Yoo et al., 2010), with a sample of 155 Asian American high school adolescents. We also examined the link between internalization of the model minority myth types (i.e., myth associated with achievement and myth associated with unrestricted mobility) and psychological adjustment (i.e., affective distress, somatic distress, performance difficulty, academic expectations stress), and the potential moderating effect of academic performance (cumulative grade point average). Results suggested the 2-factor model of the IM-4 had an acceptable fit to the data and supported the factor structure using confirmatory factor analyses. Internalizing the model minority myth of achievement related positively to academic expectations stress; however, internalizing the model minority myth of unrestricted mobility related negatively to academic expectations stress, both controlling for gender and academic performance. Finally, academic performance moderated the model minority myth associated with unrestricted mobility and affective distress link and the model minority myth associated with achievement and performance difficulty link. These findings highlight the complex ways in which the model minority myth relates to psychological outcomes. (c) 2015 APA, all rights reserved).

The F1000Research: Ebola article collection

PubMed Central

Piot, Peter

2014-01-01

The explosion of information about Ebola requires rapid publication, transparent verification and unrestricted access. I urge everyone involved in all aspects of the Ebola epidemic to openly and rapidly report their experiences and findings. PMID:25580233

Theoretical study of photoinduced epoxidation of olefins catalyzed by ruthenium porphyrin.

PubMed

Ishikawa, Atsushi; Sakaki, Shigeyoshi

2011-05-12

Epoxidation of olefin by [Ru(TMP)(CO)(O)](-) (TMP = tetramesitylporphine), which is a key step of the photocatalyzed epoxidation of olefin by [Ru(TMP)(CO)], is studied mainly with the density functional theory (DFT) method, where [Ru(Por)(CO)] is employed as a model complex (Por = unsubstituted porphyrin). The CASSCF method was also used to investigate the electronic structure of important species in the catalytic cycle. In all of the ruthenium porphyrin species involved in the catalytic cycle, the weight of the main configuration of the CASSCF wave function is larger than 85%, suggesting that the static correlation is not very large. Also, unrestricted-DFT-calculated natural orbitals are essentially the same as CASSCF-calculated ones, here. On the basis of these results, we employed the DFT method in this work. Present computational results show characteristic features of this reaction, as follows: (i) The epoxidation reaction occurs via carboradical-type transition state. Neither carbocation-type nor concerted oxene-insertion-type character is observed in the transition state. (ii) Electron and spin populations transfer from the olefin moiety to the porphyrin ring in the step of the C-O bond formation. (iii) Electron and spin populations of the olefin and porphyrin moieties considerably change around the transition state. (iv) The atomic and spin populations of Ru change little in the reaction, indicating that the Ru center keeps the +II oxidation state in the whole catalytic cycle. (v) The stability of the olefin adduct [Ru(Por)(CO)(O)(olefin)](-) considerably depends on the kind of olefin, such as ethylene, n-hexene, and styrene. In particular, styrene forms a stable olefin adduct. And, (vi) interestingly, the difference in the activation barrier among these olefins is small in the quantitative level (within 5 kcal/mol), indicating that this catalyst can be applied to various substrates. This is because the stabilities and electronic structures of both the olefin adduct and the transition state are similarly influenced by the substituent of olefin.

10 CFR 960.5-2-2 - Site ownership and control.

Code of Federal Regulations, 2011 CFR

2011-01-01

... and control. (a) Qualifying condition. The site shall be located on land for which the DOE can obtain... operation and closure will not be likely to lead to radionuclide releases to an unrestricted area greater...

40 CFR 141.803 - Coliform sampling.

Code of Federal Regulations, 2013 CFR

2013-07-01

... the disinfection and flushing frequency recommended by the aircraft water system manufacturer, when... of the aircraft water system is unrestricted. (e) Post disinfection and flushing follow-up sampling....803 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED...

40 CFR 141.803 - Coliform sampling.

Code of Federal Regulations, 2014 CFR

2014-07-01

... the disinfection and flushing frequency recommended by the aircraft water system manufacturer, when... of the aircraft water system is unrestricted. (e) Post disinfection and flushing follow-up sampling....803 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS (CONTINUED...

9 CFR 95.9 - Glue stock; requirements for unrestricted entry.

Code of Federal Regulations, 2013 CFR

2013-01-01

... such materials have been removed from animals found at time of slaughter to be free from anthrax, foot... such specified abattoir and found free from anthrax foot-and-mouth disease, and rinderpest. 4 See...

9 CFR 95.9 - Glue stock; requirements for unrestricted entry.

Code of Federal Regulations, 2012 CFR

2012-01-01

... such materials have been removed from animals found at time of slaughter to be free from anthrax, foot... such specified abattoir and found free from anthrax foot-and-mouth disease, and rinderpest. 4 See...

Seemingly unrelated intervention time series models for effectiveness evaluation of large scale environmental remediation.

PubMed

Ip, Ryan H L; Li, W K; Leung, Kenneth M Y

2013-09-15

Large scale environmental remediation projects applied to sea water always involve large amount of capital investments. Rigorous effectiveness evaluations of such projects are, therefore, necessary and essential for policy review and future planning. This study aims at investigating effectiveness of environmental remediation using three different Seemingly Unrelated Regression (SUR) time series models with intervention effects, including Model (1) assuming no correlation within and across variables, Model (2) assuming no correlation across variable but allowing correlations within variable across different sites, and Model (3) allowing all possible correlations among variables (i.e., an unrestricted model). The results suggested that the unrestricted SUR model is the most reliable one, consistently having smallest variations of the estimated model parameters. We discussed our results with reference to marine water quality management in Hong Kong while bringing managerial issues into consideration. Copyright © 2013 Elsevier Ltd. All rights reserved.

Effects of head movement and proprioceptive feedback in training of sound localization

PubMed Central

Honda, Akio; Shibata, Hiroshi; Hidaka, Souta; Gyoba, Jiro; Iwaya, Yukio; Suzuki, Yôiti

2013-01-01

We investigated the effects of listeners' head movements and proprioceptive feedback during sound localization practice on the subsequent accuracy of sound localization performance. The effects were examined under both restricted and unrestricted head movement conditions in the practice stage. In both cases, the participants were divided into two groups: a feedback group performed a sound localization drill with accurate proprioceptive feedback; a control group conducted it without the feedback. Results showed that (1) sound localization practice, while allowing for free head movement, led to improvement in sound localization performance and decreased actual angular errors along the horizontal plane, and that (2) proprioceptive feedback during practice decreased actual angular errors in the vertical plane. Our findings suggest that unrestricted head movement and proprioceptive feedback during sound localization training enhance perceptual motor learning by enabling listeners to use variable auditory cues and proprioceptive information. PMID:24349686

Dynamics of 3D Timoshenko gyroelastic beams with large attitude changes for the gyros

NASA Astrophysics Data System (ADS)

Hassanpour, Soroosh; Heppler, G. R.

2016-01-01

This work is concerned with the theoretical development of dynamic equations for undamped gyroelastic beams which are dynamic systems with continuous inertia, elasticity, and gyricity. Assuming unrestricted or large attitude changes for the axes of the gyros and utilizing generalized Hooke's law, Duleau torsion theory, and Timoshenko bending theory, the energy expressions and equations of motion for the gyroelastic beams in three-dimensional space are derived. The so-obtained comprehensive gyroelastic beam model is compared against earlier gyroelastic beam models developed using Euler-Bernoulli beam models and is used to study the dynamics of gyroelastic beams through numerical examples. It is shown that there are significant differences between the developed unrestricted Timoshenko gyroelastic beam model and the previously derived zero-order restricted Euler-Bernoulli gyroelastic beam models. These differences are more pronounced in the short beam and transverse gyricity cases.

Multipotent human stromal cells isolated from cord blood, term placenta and adult bone marrow show distinct differences in gene expression pattern

PubMed Central

Matigian, Nicholas; Brooke, Gary; Zaibak, Faten; Rossetti, Tony; Kollar, Katarina; Pelekanos, Rebecca; Heazlewood, Celena; Mackay-Sim, Alan; Wells, Christine A.; Atkinson, Kerry

2014-01-01

Multipotent mesenchymal stromal cells derived from human placenta (pMSCs), and unrestricted somatic stem cells (USSCs) derived from cord blood share many properties with human bone marrow-derived mesenchymal stromal cells (bmMSCs) and are currently in clinical trials for a wide range of clinical settings. Here we present gene expression profiles of human cord blood-derived unrestricted somatic stem cells (USSCs), human placental-derived mesenchymal stem cells (hpMSCs), and human bone marrow-derived mesenchymal stromal cells (bmMSCs), all derived from four different donors. The microarray data are available on the ArrayExpress database (www.ebi.ac.uk/arrayexpress) under accession number E-TABM-880. Additionally, the data has been integrated into a public portal, www.stemformatics.org. Our data provide a resource for understanding the differences in MSCs derived from different tissues. PMID:26484151

The Role of Embodiment and Individual Empathy Levels in Gesture Comprehension.

PubMed

Jospe, Karine; Flöel, Agnes; Lavidor, Michal

2017-01-01

Research suggests that the action-observation network is involved in both emotional-embodiment (empathy) and action-embodiment (imitation) mechanisms. Here we tested whether empathy modulates action-embodiment, hypothesizing that restricting imitation abilities will impair performance in a hand gesture comprehension task. Moreover, we hypothesized that empathy levels will modulate the imitation restriction effect. One hundred twenty participants with a range of empathy scores performed gesture comprehension under restricted and unrestricted hand conditions. Empathetic participants performed better under the unrestricted compared to the restricted condition, and compared to the low empathy participants. Remarkably however, the latter showed the exactly opposite pattern and performed better under the restricted condition. This pattern was not found in a facial expression recognition task. The selective interaction of embodiment restriction and empathy suggests that empathy modulates the way people employ embodiment in gesture comprehension. We discuss the potential of embodiment-induced therapy to improve empathetic abilities in individuals with low empathy.

Adaptive Allocation of Attention: Effects of Sex and Sociosexuality on Visual Attention to Attractive Opposite-Sex Faces.

PubMed

Duncan, Lesley A; Park, Justin H; Faulkner, Jason; Schaller, Mark; Neuberg, Steven L; Kenrick, Douglas T

2007-09-01

We tested the hypothesis that, compared with sociosexually restricted individuals, those with an unrestricted approach to mating would selectively allocate visual attention to attractive opposite-sex others. We also tested for sex differences in this effect. Seventy-four participants completed the Sociosexual Orientation Inventory, and performed a computer-based task that assessed the speed with which they detected changes in attractive and unattractive male and female faces. Differences in reaction times served as indicators of selective attention. Results revealed a Sex X Sociosexuality interaction: Compared with sociosexually restricted men, unrestricted men selectively allocated attention to attractive opposite-sex others; no such effect emerged among women. This finding was specific to opposite-sex targets and did not occur in attention to same-sex others. These results contribute to a growing literature on the adaptive allocation of attention in social environments.

The plant phenological online database (PPODB): an online database for long-term phenological data.

PubMed

Dierenbach, Jonas; Badeck, Franz-W; Schaber, Jörg

2013-09-01

We present an online database that provides unrestricted and free access to over 16 million plant phenological observations from over 8,000 stations in Central Europe between the years 1880 and 2009. Unique features are (1) a flexible and unrestricted access to a full-fledged database, allowing for a wide range of individual queries and data retrieval, (2) historical data for Germany before 1951 ranging back to 1880, and (3) more than 480 curated long-term time series covering more than 100 years for individual phenological phases and plants combined over Natural Regions in Germany. Time series for single stations or Natural Regions can be accessed through a user-friendly graphical geo-referenced interface. The joint databases made available with the plant phenological database PPODB render accessible an important data source for further analyses of long-term changes in phenology. The database can be accessed via www.ppodb.de .

[Energy drinks and their contribution to current health concerns for children and adolescents].

PubMed

Cichocki, Michał

2012-01-01

Carbonated beverages including energy drinks make up an increasing percentage of energy intake amongst adults as well as children and adolescents. Due to high content of di- or monosaccharides and biologically active compounds (mainly caffeine), their regular intake may involve addictions and potential health risks, including diabetes. Although consumption of energy drinks is usually not recommended by the manufacturers to the children under the age of 16, due to its popularity and unrestricted availability on market energy drinks are easily accessible to younger children. Low awareness of the potential health risks involved with such beverages in society together with unrestricted distribution and advertising requires undertaking general information campaign concerning energy drinks. In this paper a critical review has been made to discuss potential somatic and psychological health risks issue. Moreover, conclusions were supported with the results of the survey conducted among college and high-school adolescents.

Ab initio study of MF2 (M=Mn, Fe, Co, Ni) rutile-type compounds using the periodic unrestricted Hartree-Fock approach

NASA Astrophysics Data System (ADS)

de P. R. Moreira, Ibério; Dovesi, Roberto; Roetti, Carla; Saunders, Victor R.; Orlando, Roberto

2000-09-01

The ab initio periodic unrestricted Hartree-Fock method has been applied in the investigation of the ground-state structural, electronic, and magnetic properties of the rutile-type compounds MF2 (M=Mn, Fe, Co, and Ni). All electron Gaussian basis sets have been used. The systems turn out to be large band-gap antiferromagnetic insulators; the optimized geometrical parameters are in good agreement with experiment. The calculated most stable electronic state shows an antiferromagnetic order in agreement with that resulting from neutron scattering experiments. The magnetic coupling constants between nearest-neighbor magnetic ions along the [001], [111], and [100] (or [010]) directions have been calculated using several supercells. The resulting ab initio magnetic coupling constants are reasonably satisfactory when compared with available experimental data. The importance of the Jahn-Teller effect in FeF2 and CoF2 is also discussed.

The cybernetics of TNF: Old views and newer ones.

PubMed

Wallach, David

2016-02-01

The proinflammatory cytokine tumor necrosis factor (TNF) orchestrates complex multicellular processes through a wide variety of changes that it induces in cell functions. At various stages of the study of TNF, attention has been drawn to one of three different modes of its action. The work that led to the discovery of this cytokine addressed situations in which it inflicts massive damage to tissues through a mode of action that appeared to be unrestricted. In the years that followed, attention was drawn to the existence of negative feedback mechanisms that do restrict TNF formation and function, and of reciprocal mechanisms for negatively regulating TNF-induced gene activation and of cell death. Most recently, the discovery of the critical role of TNF in chronic inflammatory diseases directed attention to the ability of TNF also to act with no apparent time restriction. Major gaps still remain in our knowledge of the cellular and molecular basis for these three modes of TNF action. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Ground-state properties of the three-band Hubbard model

NASA Astrophysics Data System (ADS)

Zhang, Shiwei; Vitali, Ettore; Chiciak, Adam; Shi, Hao

The three-band Hubbard model proposed by Emery describes the CuO2 plane in cuprate superconductors by retaining both Cu and O orbitals in a minimal sense. Applying the latest developments in the auxiliary-field quantum Monte Carlo (AFQMC) method, we investigate ground-state properties of this model at half-filling and when lightly (under-)doped. The AFQMC uses generalized Hartree-Fock (GHF) trial wave functions to control the sign problem. A self-consistent constraint is applied. We also determine the unrestricted Hartree-Fock (UHF) and GHF ground states and compare their predictions with those from AFQMC. Similarities and differences between the three-band model and one-band Hubbard model will be discussed. Supported by NSF, and the Simons Foundation. Computing is carried out at the Extreme Science and Engineering Discovery Environment(XSEDE).

In-stent neoatherosclerosis and tissue characteristics of restenotic lesions following implantation of second generation drug-eluting stents in unrestricted coronary lesions: Optical frequency domain imaging study.

PubMed

Sabbah, Mahmoud; Kadota, Kazushige; El-Eraky, Azza; Kamal, Hanan M; Abdellah, Ahmed-Tageldien; El Hawary, Ahmed

2017-06-01

Differences in stent platform, polymer coatings, and antirestenotic drugs among the current in use second-generation drug-eluting stents (G2-DESs) may induce significant variations in neointimal response and vascular healing, which may impact the prevalence of neoatherosclerosis (NA) and morphological appearance of the restenotic tissue. Utilizing Optical frequency domain imaging, two independent reviewers, retrospectively compared the prevalence of neoatherosclerosis (NA), and the morphological differences, and tissue characteristics of 50 G2-DESs in-stent restenosis (ISR) lesions (35 everolimus-eluting stent [22 cobalt-chromium (CoCr), 13 platinum-chromium (PtCr)], and 15 biolimus-eluting stent [BES]) implanted liberally in unrestricted coronary lesions. More than half of the stents were implanted in type C lesions, while 40% of the stents were implanted primarily in lesions with recanalized chronic total occlusion. NA, defined as a neointima formation with the presence of lipids or calcification, was observed in fewer than half (24/50) of all ISR lesions with no significant in-between group differences (41%, 69%, and 40% in CoCr, PtCr, and BES respectively, P = 0.22), nor were there any significant differences in the morphological appearance or tissue characteristics between all G2-DESs subtypes. Acknowledging some limitations, our results may suggest that the prevalence of NA and the morphological appearance of restenotic lesions might not differ when G2-DESs are implanted in unrestricted, rather complex, coronary lesions. © 2017, Wiley Periodicals, Inc.

Reconsidering Cluster Bias in Multilevel Data: A Monte Carlo Comparison of Free and Constrained Baseline Approaches.

PubMed

Guenole, Nigel

2018-01-01

The test for item level cluster bias examines the improvement in model fit that results from freeing an item's between level residual variance from a baseline model with equal within and between level factor loadings and between level residual variances fixed at zero. A potential problem is that this approach may include a misspecified unrestricted model if any non-invariance is present, but the log-likelihood difference test requires that the unrestricted model is correctly specified. A free baseline approach where the unrestricted model includes only the restrictions needed for model identification should lead to better decision accuracy, but no studies have examined this yet. We ran a Monte Carlo study to investigate this issue. When the referent item is unbiased, compared to the free baseline approach, the constrained baseline approach led to similar true positive (power) rates but much higher false positive (Type I error) rates. The free baseline approach should be preferred when the referent indicator is unbiased. When the referent assumption is violated, the false positive rate was unacceptably high for both free and constrained baseline approaches, and the true positive rate was poor regardless of whether the free or constrained baseline approach was used. Neither the free or constrained baseline approach can be recommended when the referent indicator is biased. We recommend paying close attention to ensuring the referent indicator is unbiased in tests of cluster bias. All Mplus input and output files, R, and short Python scripts used to execute this simulation study are uploaded to an open access repository.

Reconsidering Cluster Bias in Multilevel Data: A Monte Carlo Comparison of Free and Constrained Baseline Approaches

PubMed Central

Guenole, Nigel

2018-01-01

The test for item level cluster bias examines the improvement in model fit that results from freeing an item's between level residual variance from a baseline model with equal within and between level factor loadings and between level residual variances fixed at zero. A potential problem is that this approach may include a misspecified unrestricted model if any non-invariance is present, but the log-likelihood difference test requires that the unrestricted model is correctly specified. A free baseline approach where the unrestricted model includes only the restrictions needed for model identification should lead to better decision accuracy, but no studies have examined this yet. We ran a Monte Carlo study to investigate this issue. When the referent item is unbiased, compared to the free baseline approach, the constrained baseline approach led to similar true positive (power) rates but much higher false positive (Type I error) rates. The free baseline approach should be preferred when the referent indicator is unbiased. When the referent assumption is violated, the false positive rate was unacceptably high for both free and constrained baseline approaches, and the true positive rate was poor regardless of whether the free or constrained baseline approach was used. Neither the free or constrained baseline approach can be recommended when the referent indicator is biased. We recommend paying close attention to ensuring the referent indicator is unbiased in tests of cluster bias. All Mplus input and output files, R, and short Python scripts used to execute this simulation study are uploaded to an open access repository. PMID:29551985

From belt picking to bin packing

NASA Astrophysics Data System (ADS)

Balslev, Ivar; Eriksen, René D.

2002-10-01

We face the problem of computer-vision aided robot grasping of objects with more or less random positions. This field is of vital importance in the further progress in flexible automation of industrial processes, since conventional methods using fixtures and/or vibration bowls are expensive and inflexible. We study various types of disorder: A) visually isolated objects lying in distinct resting modes on a flat homogenous conveyer belt, B) partially occluded objects lying in distinct resting modes on a flat homogenous conveyer belt, C) visually separated objects, unrestricted object-camera pose, and fully surrounded by background, D) partially occluded objects, unrestricted relative orientation, but with a sizeable fraction of their contour detectable using foreground-background separation, E) partially occluded objects with unrestricted pose and no help from foreground-background separation. The cases A), B), and - to some extend - D) are encountered in belt picking, while case E) is true bin picking. Since physical storage of products and components in industry is based on deep containers with many layers of somewhat disordered objects, the belt-picking concept is only the first step for achieving flexible, unsupervised parts feeding. We have developed and tested a generic, fast, and easily trainable system for the cases A) and B). The system is unique because it handles the perspective effects exactly so there is no restriction concerning object dimensions relative to the distance to the camera. We report on a strategy to be used in treating case C) using the principles developed for the cases A-B). We discuss possible strategies to be employed when going all the way to cases of D) and E).

Implications of Accounting Practice for Financial Analysis.

ERIC Educational Resources Information Center

Wilkinson, William M.

1979-01-01

Different kinds of financial data are needed by different levels of management and in different areas of support. Accounting principles for nonprofit organizations need to be determined. Accrual accounting principles, fund accounting, restricted and unrestricted funds, etc., are described. (MLW)

Prevention and Control of Highway Tunnel Fires

DOT National Transportation Integrated Search

1984-05-01

This study investigates steps that can be taken to reduce the risk, damage, and : fatalities from fires in existing and future highway tunnels and the effect of : unrestricted transit of hazardous materials through them. The history of : highway tunn...

Analyzing Contingency Contracting Purchases for Operation Iraqi Freedom (Unrestricted Version)

DTIC Science & Technology

2008-01-01

that could inform such strategic purchasing decisions. 14 We used the unique contract identification number to check for cross -organization...beds, mattresses, dressers , footlockers) Other (stools, rugs, seats, cabinets, tables, folding chairs, paintings) Generators Various power generators

Manipulating Water in High-Performance Hydroxide Exchange Membrane Fuel Cells through Asymmetric Humidification and Wetproofing

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

Kaspar, RB; Letterio, MP; Wittkopf, JA

Hydroxide exchange membrane fuel cells (HEMFCs) are an emerging low-cost alternative to conventional proton exchange membrane fuel cells. In addition to producing water at the anode, HEMFCs consume water at the cathode, leading to distinctive water transport behavior. We report that gas diffusion layer (GDL) wetproofing strictly lowers cell performance, but that the penalty is much higher when the anode side is wetproofed compared to the cathode side. We attribute this penalty primarily to mass transport losses from anode flooding, suggesting that cathode humidification may be more beneficial than anode humidification for this device. GDLs with little or no wetproofingmore » perform best, yielding a competitive peak power density of 737 mW cm(-2). (C) The Author(s) 2015. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, hup://creativecommons.orgilicenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.« less

Canadian Consensus Conference on Osteoporosis, 2006 Update

PubMed Central

Brown, Jacques P.; Fortier, Michel

2016-01-01

Objective To provide guidelines for the health care provider on the diagnosis and clinical management of postmenopausal osteoporosis. Outcomes Strategies for identifying and evaluating high-risk individuals, the use of bone mineral density (BMD) and bone turnover markers in assessing diagnosis and response to management, and recommendations regarding nutrition, physical activity, and the selection of pharmacologic therapy to prevent and manage osteoporosis. Evidence MEDLINE and the Cochrane database were searched for articles in English on subjects related to osteoporosis diagnosis, prevention, and management from March 2001 to April 2005. The authors critically reviewed the evidence and developed the recommendations according to the Journal of Obstetrics and Gynaecology Canada’s methodology and consensus development process. Values The quality of evidence is rated using the criteria described in the report of the Canadian Task Force on the Periodic Health Examination. Recommendations for practice are ranked according to the method described in this report. Sponsors The development of this consensus guideline was supported by unrestricted educational grants from Berlex Canada Inc., Lilly Canada, Merck Frosst, Novartis, Novogen, Novo Nordisk, Proctor and Gamble, Schering Canada, and Wyeth Canada. PMID:16626523

Secondhand smoke policies at state and county fairs.

PubMed

Mage, Caroline; Goldstein, Adam O; Colgan, Siobhan; Skinner, Bron; Kramer, Kathryn D; Steiner, Julea; Staples, Ann H

2010-01-01

We sought to assess the smoking policies at state and county fairs in North Carolina. We contacted North Carolina fair managers by telephone to solicit participation in a survey that assessed the extent to which fairs have written policies about smoking and secondhand smoke (SHS) exposure, managers' beliefs concerning the health risks associated with SHS exposure, and specific reasons that might prompt managers to adopt smoke-free policies. Attempts were made to contact 47 fair managers, and 37 (66.0%) participated in the study. We found that although almost two-thirds of fairs prohibited smoking indoors, the vast majority (83.9%) had no limits on outdoor smoking. Most fair managers (84.6%) acknowledged that SHS may cause lung cancer, and a majority (51.6%) reported a belief that their patrons would largely be supportive of a more restrictive policy. Fair managers' responses were primarily based on their own opinions, estimates, and attitudes. Because of the high number and density of fair patrons, unrestricted outdoor smoking likely exposes most patrons to SHS. Action to eliminate all exposure to SHS at state and county fairs is needed.

78 FR 79015 - Agency Information Collection Activities: Submission for the Office of Management and Budget (OMB...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-27

... the basis for its determination that the facility has been cleared of radioactive material before the facility is released for unrestricted use. The public may examine and have copied for a fee publicly...

LEACHING MODELS FOR SUBSURFACE POLLUTION ASSESSMENT IN AGROECOSYSTEMS

EPA Science Inventory

Unrestricted use of pesticides in agriculture threatens ground-water resources and can have adverse ecological impact on the nation's receiving surface waters. In this paper, we develop mass fraction models for exposure assessment and the regulation of agricultural organic chemic...

10 CFR 960.5-1 - System guidelines.

Code of Federal Regulations, 2010 CFR

2010-01-01

... REPOSITORY Preclosure Guidelines § 960.5-1 System guidelines. (a) Qualifying conditions—(1) Preclosure... radioactive materials to restricted and unrestricted areas during repository operation and closure shall meet... repository siting, construction, operation, closure, and decommissioning the public and the environment shall...

78 FR 2657 - Foreign-Trade Zone 141-Rochester, NY, Application for Manufacturing Authority, Firth Rixson, Inc...

Federal Register 2010, 2011, 2012, 2013, 2014

2013-01-14

... monitoring of the actual impact of Firth Rixson's FTZ use. If there were to be evidence of negative effects... competitors' plants abroad) through unrestricted FTZ benefits on its processing of foreign-origin titanium...

40 CFR 256.42 - Recommendations for assuring facility development.

Code of Federal Regulations, 2010 CFR

2010-07-01

... development. 256.42 Section 256.42 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) SOLID WASTES GUIDELINES FOR DEVELOPMENT AND IMPLEMENTATION OF STATE SOLID WASTE MANAGEMENT PLANS Facility... unrestricted movement of solid and hazardous waste across State and local boundaries. ...

Microscopic description of a drop on a solid surface.

PubMed

Ruckenstein, Eli; Berim, Gersh O

2010-06-14

Two approaches recently suggested for the treatment of macro- or nanodrops on smooth or rough, planar or curved, solid surfaces, based on fluid-fluid and fluid-solid interaction potentials are reviewed. The first one employs the minimization of the total potential energy of a drop by assuming that the drop has a well defined profile and a constant liquid density in its entire volume with the exception of the monolayer nearest to the surface where the density has a different value. As a result, a differential equation for the drop profile as well as the necessary boundary conditions are derived which involve the parameters of the interaction potentials and do not contain such macroscopic characteristics as the surface tensions. As a consequence, the macroscopic and microscopic contact angles which the drop profile makes with the surface can be calculated. The macroscopic angle is obtained via the extrapolation of the circular part of the drop profile valid at some distance from the surface up to the solid surface. The microscopic angle is formed at the intersection of the real profile (which is not circular near the surface) with the surface. The theory provides a relation between these two angles. The ranges of the microscopic parameters of the interaction potentials for which (i) the drop can have any height (volume), (ii) the drop can have a restricted height but unrestricted volume, and (iii) a drop cannot be formed on the surface were identified. The theory was also extended to the description of a drop on a rough surface. The second approach is based on a nonlocal density functional theory (DFT), which accounts for the inhomogeneity of the liquid density and temperature effects, features which are missing in the first approach. Although the computational difficulties restrict its application to drops of only several nanometers, the theory can be applied indirectly to macrodrops by calculating the surface tensions and using the Young equation to determine the contact angle. Employing the canonical ensemble version of the DFT, nanodrops on smooth and rough solid surfaces could be investigated and their characteristics, such as the drop profile, contact angle, as well as the fluid density distribution inside the drop can be determined as functions of the parameters of the interaction potentials and temperature. It was found that the contact angle of the drop has a simple (quasi)universal dependence on the energy parameter epsilon(fs) of the fluid-solid interaction potential and temperature. The main feature of this dependence is the existence of a fixed value theta(0) of the contact angle theta which separates the solid substrates (characterized by the energy parameter epsilon(fs) of the fluid-solid interaction potential) into two classes with respect to their temperature dependence. For theta>theta(0) the contact angle monotonously increases and for theta

7 CFR 1530.100 - General statement.

Code of Federal Regulations, 2010 CFR

2010-01-01

... OF AGRICULTURE THE REFINED SUGAR RE-EXPORT PROGRAM, THE SUGAR CONTAINING PRODUCTS RE-EXPORT PROGRAM... the Refined Sugar Re-Export Program, the Sugar Containing Products Re-Export Program, and the Polyhydric Alcohol Program. Under these provisions, refiners may enter raw sugar unrestricted by the...

7 CFR 1530.100 - General statement.

Code of Federal Regulations, 2011 CFR

2011-01-01

... OF AGRICULTURE THE REFINED SUGAR RE-EXPORT PROGRAM, THE SUGAR CONTAINING PRODUCTS RE-EXPORT PROGRAM... the Refined Sugar Re-Export Program, the Sugar Containing Products Re-Export Program, and the Polyhydric Alcohol Program. Under these provisions, refiners may enter raw sugar unrestricted by the...

7 CFR 319.55 - Notice of quarantine.

Code of Federal Regulations, 2011 CFR

2011-01-01

... SERVICE, DEPARTMENT OF AGRICULTURE FOREIGN QUARANTINE NOTICES Rice Quarantine § 319.55 Notice of...) that injurious fungous diseases of rice, including downy, mildew (Sclerospora macrospora), leaf smut... through importations of seed or paddy rice, rice straw, and rice hulls, and (2) that the unrestricted...

7 CFR 319.55 - Notice of quarantine.

Code of Federal Regulations, 2010 CFR

2010-01-01

... SERVICE, DEPARTMENT OF AGRICULTURE FOREIGN QUARANTINE NOTICES Rice Quarantine § 319.55 Notice of...) that injurious fungous diseases of rice, including downy, mildew (Sclerospora macrospora), leaf smut... through importations of seed or paddy rice, rice straw, and rice hulls, and (2) that the unrestricted...

13 CFR 121.412 - What are the size procedures for partial small business set-asides?

Code of Federal Regulations, 2010 CFR

2010-01-01

... Requirements for Government Procurement § 121.412 What are the size procedures for partial small business set... portion of a procurement, and is not required to qualify as a small business for the unrestricted portion. ...

7 CFR 1530.100 - General statement.

Code of Federal Regulations, 2012 CFR

2012-01-01

... OF AGRICULTURE THE REFINED SUGAR RE-EXPORT PROGRAM, THE SUGAR CONTAINING PRODUCTS RE-EXPORT PROGRAM... the Refined Sugar Re-Export Program, the Sugar Containing Products Re-Export Program, and the Polyhydric Alcohol Program. Under these provisions, refiners may enter raw sugar unrestricted by the...

7 CFR 1530.100 - General statement.

Code of Federal Regulations, 2013 CFR

2013-01-01

... OF AGRICULTURE THE REFINED SUGAR RE-EXPORT PROGRAM, THE SUGAR CONTAINING PRODUCTS RE-EXPORT PROGRAM... the Refined Sugar Re-Export Program, the Sugar Containing Products Re-Export Program, and the Polyhydric Alcohol Program. Under these provisions, refiners may enter raw sugar unrestricted by the...

Mapping of human genome raises serious issues for individual vs. corporate rights.

PubMed

Court, J

2001-01-01

Unrestricted corporate control of genetic technologies opens a pandora's box for the balance of power between individuals and corporations. This column provides an overview of the issues raised by commercialization of the human genome from a citizen advocate's perspective.

A randomized clinical trial of mindfulness-based cognitive therapy versus unrestricted services for health anxiety (hypochondriasis).

PubMed

McManus, Freda; Surawy, Christina; Muse, Kate; Vazquez-Montes, Maria; Williams, J Mark G

2012-10-01

The efficacy and acceptability of existing psychological interventions for health anxiety (hypochondriasis) are limited. In the current study, the authors aimed to assess the impact of mindfulness-based cognitive therapy (MBCT) on health anxiety by comparing the impact of MBCT in addition to usual services (unrestricted services) with unrestricted services (US) alone. The 74 participants were randomized to either MBCT in addition to US (n = 36) or US alone (n = 38). Participants were assessed prior to intervention (MBCT or US), immediately following the intervention, and 1 year postintervention. In addition to independent assessments of diagnostic status, standardized self-report measures and assessor ratings of severity and distress associated with the diagnosis of hypochondriasis were used. In the intention-to-treat (ITT) analysis (N = 74), MBCT participants had significantly lower health anxiety than US participants, both immediately following the intervention (Cohen's d = 0.48) and at 1-year follow-up (d = 0.48). The per-protocol (PP) analysis (n = 68) between groups effect size was d = 0.49 at postintervention and d = 0.62 at 1-year follow-up. Mediational analysis showed that change in mindfulness mediated the group changes in health anxiety symptoms. Significantly fewer participants allocated to MBCT than to US met criteria for the diagnosis of hypochondriasis, both immediately following the intervention period (ITT 50.0% vs. 78.9%; PP 47.1% vs. 78.4%) and at 1-year follow-up (ITT 36.1% vs. 76.3%; PP 28.1% vs. 75.0%). MBCT may be a useful addition to usual services for patients with health anxiety. (PsycINFO Database Record (c) 2012 APA, all rights reserved).

Declining Hepatitis C Virus (HCV) Incidence in Dutch Human Immunodeficiency Virus-Positive Men Who Have Sex With Men After Unrestricted Access to HCV Therapy.

PubMed

Boerekamps, Anne; van den Berk, Guido E; Lauw, Fanny N; Leyten, Eliane M; van Kasteren, Marjo E; van Eeden, Arne; Posthouwer, Dirk; Claassen, Mark A; Dofferhoff, Anton S; Verhagen, Dominique W M; Bierman, Wouter F; Lettinga, Kamilla D; Kroon, Frank P; Delsing, Corine E; Groeneveld, Paul H; Soetekouw, Robert; Peters, Edgar J; Hullegie, Sebastiaan J; Popping, Stephanie; van de Vijver, David A M C; Boucher, Charles A; Arends, Joop E; Rijnders, Bart J

2018-04-17

Direct-acting antivirals (DAAa) cure hepatitis C virus (HCV) infections in 95% of infected patients. Modeling studies predict that universal HCV treatment will lead to a decrease in the incidence of new infections but real-life data are lacking. The incidence of HCV among Dutch human immunodeficiency virus (HIV)-positive men who have sex with men (MSM) has been high for >10 years. In 2015 DAAs became available to all Dutch HCV patients and resulted in a rapid treatment uptake in HIV-positive MSM. We assessed whether this uptake was followed by a decrease in the incidence of HCV infections. Two prospective studies of treatment for acute HCV infection enrolled patients in 17 Dutch HIV centers, having 76% of the total HIV-positive MSM population in care in the Netherlands. Patients were recruited in 2014 and 2016, the years before and after unrestricted DAA availability. We compared the HCV incidence in both years. The incidence of acute HCV infection decreased from 93 infections during 8290 person-years of follow-up (PYFU) in 2014 (11.2/1000 PYFU; 95% confidence interval [CI], 9.1-13.7) to 49 during 8961 PYFU in 2016 (5.5/1000 PYFU; 4.1-7.2). The incidence rate ratio of 2016 compared with 2014 was 0.49 (95% CI, .35-.69). Simultaneously, a significant increase in the percentage positive syphilis (+2.2%) and gonorrhea (+2.8%) tests in HIV-positive MSM was observed at sexual health clinics across the Netherlands and contradicts a decrease in risk behavior as an alternative explanation. Unrestricted DAA availability in the Netherlands was followed by a 51% decrease in acute HCV infections among HIV-positive MSM.

The potential interaction between ewe body condition score and nutrition during very late pregnancy and lactation on the performance of twin-bearing ewes and their lambs.

PubMed

Cranston, L M; Kenyon, P R; Corner-Thomas, R A; Morris, S T

2017-09-01

The present study aimed to determine the impact of ewe body condition score (BCS) (over a range of 2.0 to 3.0) and nutritional treatments (consisting of differing herbage masses) during very late pregnancy and lactation and their potential interaction on the performance of twin-bearing ewes and their lambs to weaning. On day 142 of pregnancy, twin-bearing ewes with a BCS of 2.0, 2.5, or 3.0 were allocated to a "Moderate' or 'Unrestricted' nutritional treatment until day 95 of lactation (weaning). The nutritional treatments aimed to achieve average herbage masses of 1,200 to 1,300 kg dry matter (DM)/ha (Moderate) and 1,500 to 1,800 kg DM/ha (Unrestricted). There were no three-way interactions between ewe BCS group, nutritional treatment and time for any ewe or lamb parameter. The nutritional treatments had no effect (p>0.05) on lamb birth or weaning weight. Lambs born to Moderate ewes had greater survival and total litter weight at weaning (p<0.05). Regardless of BCS group, Unrestricted treatment ewes had greater body condition and back-fat depth at weaning than Moderate treatment ewes (p<0.05). Ewes of BCS 2.0 group reared lighter lambs to weaning (p<0.05) and tended to have a lower total litter weight (p = 0.06) than BCS 3.0 group ewes. This study suggests farmers should aim to have all ewes with a BCS of 2.5 or 3 in late pregnancy for optimal lamb weaning performance. Furthermore, there is no benefit to lamb production of offering ewes pasture masses >1,200 kg DM/ha during very late pregnancy and lactation.

Expected Time to Return to Athletic Participation After Stress Fracture in Division I Collegiate Athletes.

PubMed

Miller, Timothy L; Jamieson, Marissa; Everson, Sonsecharae; Siegel, Courtney

2017-12-01

Few studies have documented expected time to return to athletic participation after stress fractures in elite athletes. Time to return to athletic participation after stress fractures would vary by site and severity of stress fracture. Retrospective cohort study. Level 3. All stress fractures diagnosed in a single Division I collegiate men's and women's track and field/cross-country team were recorded over a 3-year period. Site and severity of injury were graded based on Kaeding-Miller classification system for stress fractures. Time to return to full unrestricted athletic participation was recorded for each athlete and correlated with patient sex and site and severity grade of injury. Fifty-seven stress fractures were diagnosed in 38 athletes (mean age, 20.48 years; range, 18-23 years). Ten athletes sustained recurrent or multiple stress fractures. Thirty-seven injuries occurred in women and 20 in men. Thirty-three stress fractures occurred in the tibia, 10 occurred in the second through fourth metatarsals, 3 occurred in the fifth metatarsal, 6 in the tarsal bones (2 navicular), 2 in the femur, and 5 in the pelvis. There were 31 grade II stress fractures, 11 grade III stress fractures, and 2 grade V stress fractures (in the same patient). Mean time to return to unrestricted sport participation was 12.9 ± 5.2 weeks (range, 6-27 weeks). No significant differences in time to return were noted based on injury location or whether stress fracture was grade II or III. The expected time to return to full unrestricted athletic participation after diagnosis of a stress fracture is 12 to 13 weeks for all injury sites. Athletes with grade V (nonunion) stress fractures may require more time to return to sport.

Peripheral Vision Can Influence Eye Growth and Refractive Development in Infant Monkeys

PubMed Central

Smith, Earl L.; Kee, Chea-su; Ramamirtham, Ramkumar; Qiao-Grider, Ying; Hung, Li-Fang

2006-01-01

PURPOSE Given the prominence of central vision in humans, it has been assumed that visual signals from the fovea dominate emmetropization. The purpose of this study was to examine the impact of peripheral vision on emmetropization. METHODS Bilateral, peripheral form deprivation was produced in 12 infant monkeys by rearing them with diffusers that had either 4- or 8-mm apertures centered on the pupils of each eye, to allow 24° or 37° of unrestricted central vision, respectively. At the end of the lens-rearing period, an argon laser was used to ablate the fovea in one eye of each of seven monkeys. Subsequently, all the animals were allowed unrestricted vision. Refractive error and axial dimensions were measured along the pupillary axis by retinoscopy and A-scan ultrasonography, respectively. Control data were obtained from 21 normal monkeys and 3 infants reared with binocular plano lenses. RESULTS Nine of the 12 treated monkeys had refractive errors that fell outside the 10th- and 90th-percentile limits for the age-matched control subjects, and the average refractive error for the treated animals was more variable and significantly less hyperopic/more myopic (+0.03 ± 2.39 D vs. +2.39 ± 0.92 D). The refractive changes were symmetric in the two eyes of a given animal and axial in nature. After lens removal, all the treated monkeys recovered from the induced refractive errors. No interocular differences in the recovery process were observed in the animals with monocular foveal lesions. CONCLUSIONS On the one hand, the peripheral retina can contribute to emmetropizing responses and to ametropias produced by an abnormal visual experience. On the other hand, unrestricted central vision is not sufficient to ensure normal refractive development, and the fovea is not essential for emmetropizing responses. PMID:16249469

A Randomized Clinical Trial of Mindfulness-Based Cognitive Therapy Versus Unrestricted Services for Health Anxiety (Hypochondriasis)

PubMed Central

McManus, Freda; Surawy, Christina; Muse, Kate; Vazquez-Montes, Maria; Williams, J. Mark G.

2012-01-01

Objective: The efficacy and acceptability of existing psychological interventions for health anxiety (hypochondriasis) are limited. In the current study, the authors aimed to assess the impact of mindfulness-based cognitive therapy (MBCT) on health anxiety by comparing the impact of MBCT in addition to usual services (unrestricted services) with unrestricted services (US) alone. Method: The 74 participants were randomized to either MBCT in addition to US (n = 36) or US alone (n = 38). Participants were assessed prior to intervention (MBCT or US), immediately following the intervention, and 1 year postintervention. In addition to independent assessments of diagnostic status, standardized self-report measures and assessor ratings of severity and distress associated with the diagnosis of hypochondriasis were used. Results: In the intention-to-treat (ITT) analysis (N = 74), MBCT participants had significantly lower health anxiety than US participants, both immediately following the intervention (Cohen's d = 0.48) and at 1-year follow-up (d = 0.48). The per-protocol (PP) analysis (n = 68) between groups effect size was d = 0.49 at postintervention and d = 0.62 at 1-year follow-up. Mediational analysis showed that change in mindfulness mediated the group changes in health anxiety symptoms. Significantly fewer participants allocated to MBCT than to US met criteria for the diagnosis of hypochondriasis, both immediately following the intervention period (ITT 50.0% vs. 78.9%; PP 47.1% vs. 78.4%) and at 1-year follow-up (ITT 36.1% vs. 76.3%; PP 28.1% vs. 75.0%). Conclusions: MBCT may be a useful addition to usual services for patients with health anxiety. PMID:22708977

The protonation states of oxo-bridged Mn(IV) dimers resolved by experimental and computational Mn K pre-edge X-ray absorption spectroscopy.

PubMed

Krewald, Vera; Lassalle-Kaiser, Benedikt; Boron, Thaddeus T; Pollock, Christopher J; Kern, Jan; Beckwith, Martha A; Yachandra, Vittal K; Pecoraro, Vincent L; Yano, Junko; Neese, Frank; DeBeer, Serena

2013-11-18

In nature, the protonation of oxo bridges is a commonly encountered mechanism for fine-tuning chemical properties and reaction pathways. Often, however, the protonation states are difficult to establish experimentally. This is of particular importance in the oxygen evolving complex of photosystem II, where identification of the bridging oxo protonation states is one of the essential requirements toward unraveling the mechanism. In order to establish a combined experimental and theoretical protocol for the determination of protonation states, we have systematically investigated a series of Mn model complexes by Mn K pre-edge X-ray absorption spectroscopy. An ideal test case for selective bis-μ-oxo-bridge protonation in a Mn dimer is represented by the system [Mn(IV)2(salpn)2(μ-OHn)2](n+). Although the three species [Mn(IV)2(salpn)2(μ-O)2], [Mn(IV)2(salpn)2(μ-O)(μ-OH)](+) and [Mn(IV)2(salpn)2(μ-OH)2](2+) differ only in the protonation of the oxo bridges, they exhibit distinct differences in the pre-edge region while maintaining the same edge energy. The experimental spectra are correlated in detail to theoretically calculated spectra. A time-dependent density functional theory approach for calculating the pre-edge spectra of molecules with multiple metal centers is presented, using both high spin (HS) and broken symmetry (BS) electronic structure solutions. The most intense pre-edge transitions correspond to an excitation of the Mn 1s core electrons into the unoccupied orbitals of local e(g) character (d(z)(2) and d(xy) based in the chosen coordinate system). The lowest energy experimental feature is dominated by excitations of 1s-α electrons, and the second observed feature is primarily attributed to 1s-β electron excitations. The observed energetic separation is due to spin polarization effects in spin-unrestricted density functional theory and models final state multiplet effects. The effects of spin polarization on the calculated Mn K pre-edge spectra, in both the HS and BS solutions, are discussed in terms of the strength of the antiferromagnetic coupling and associated changes in the covalency of Mn-O bonds. The information presented in this paper is complemented with the X-ray emission spectra of the same compounds published in an accompanying paper. Taken together, the two studies provide the foundation for a better understanding of the X-ray spectroscopic data of the oxygen evolving complex (OEC) in photosystem II.

32 CFR 105.9 - Commander and management procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

... expedited transfer, the Service member must affirmatively change his or her reporting option to Unrestricted... replacement order. (ii) The issuing commander shall notify the appropriate civilian authorities of any change... command climate of sexual assault prevention predicated on mutual respect and trust, recognizes and...

32 CFR 105.9 - Commander and management procedures.

Code of Federal Regulations, 2014 CFR

2014-07-01

... expedited transfer, the Service member must affirmatively change his or her reporting option to Unrestricted... replacement order. (ii) The issuing commander shall notify the appropriate civilian authorities of any change... command climate of sexual assault prevention predicated on mutual respect and trust, recognizes and...

How Corporations Can Aid Colleges and Universities.

ERIC Educational Resources Information Center

Council for Financial Aid to Education, New York, NY.

Types of aid to higher education are listed that allow corporations to support the colleges and universities of their choice through contributions to educational institutions, individuals, and to education-related organizations. Aid to educational institutions can include (1) specified unrestricted operating grants (general purpose grants,…

10 CFR 70.4 - Definitions.

Code of Federal Regulations, 2011 CFR

2011-01-01

... for the privatization of USEC that is approved by the President. Critical mass of special nuclear... and reduce residual radioactivity to a level that permits— (1) Release of the property for unrestricted use and termination of the license; or (2) Release of the property under restricted conditions and...

48 CFR 2919.202-2 - Locating small business sources.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 7 2010-10-01 2010-10-01 false Locating small business... SOCIOECONOMIC PROGRAMS SMALL BUSINESS AND SMALL DISADVANTAGED BUSINESS CONCERNS Policies 2919.202-2 Locating small business sources. Any procurement conducted on an unrestricted basis will include solicitations to...

Managing the downturn

Treesearch

Urs Buehlmann; Matt Bumgardner; Al Schuler; Jeff Crissey

2008-01-01

After years of seemingly unrestricted growth, the housing market has turned and is deteriorating fast. Housing construction and sales have slowed dramatically, foreclosures have skyrocketed and mortgage rates have increased modestly despite the Federal Reserve's easing of monetary policy. Given the increasingly high dependency of the wood products industry on...

48 CFR 2919.202-2 - Locating small business sources.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 48 Federal Acquisition Regulations System 7 2014-10-01 2014-10-01 false Locating small business... SOCIOECONOMIC PROGRAMS SMALL BUSINESS AND SMALL DISADVANTAGED BUSINESS CONCERNS Policies 2919.202-2 Locating small business sources. Any procurement conducted on an unrestricted basis will include solicitations to...

48 CFR 2919.202-2 - Locating small business sources.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 7 2013-10-01 2012-10-01 true Locating small business... SOCIOECONOMIC PROGRAMS SMALL BUSINESS AND SMALL DISADVANTAGED BUSINESS CONCERNS Policies 2919.202-2 Locating small business sources. Any procurement conducted on an unrestricted basis will include solicitations to...

The Population Threat

ERIC Educational Resources Information Center

McNamara, Robert S.

1969-01-01

In an address delivered at the University of Notre Dame, May 1969, Secretary McNamara discussed the threat of unmanageable population pressure which is undervalued and misunderstood by the general public. Unrestricted population growth will have catastrophic consequences unless it is dealt with rapidly and rationally. Copies from: Office of…

48 CFR 2919.202-2 - Locating small business sources.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 7 2011-10-01 2011-10-01 false Locating small business... SOCIOECONOMIC PROGRAMS SMALL BUSINESS AND SMALL DISADVANTAGED BUSINESS CONCERNS Policies 2919.202-2 Locating small business sources. Any procurement conducted on an unrestricted basis will include solicitations to...

48 CFR 2919.202-2 - Locating small business sources.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 7 2012-10-01 2012-10-01 false Locating small business... SOCIOECONOMIC PROGRAMS SMALL BUSINESS AND SMALL DISADVANTAGED BUSINESS CONCERNS Policies 2919.202-2 Locating small business sources. Any procurement conducted on an unrestricted basis will include solicitations to...

Administrative gatekeeping - a third way between unrestricted patient advocacy and bedside rationing.

PubMed

Lauridsen, Sigurd

2009-06-01

The inevitable need for rationing of healthcare has apparently presented the medical profession with the dilemma of choosing the lesser of two evils. Physicians appear to be obliged to adopt either an implausible version of traditional professional ethics or an equally problematic ethics of bedside rationing. The former requires unrestricted advocacy of patients but prompts distrust, moral hazard and unfairness. The latter commits physicians to rationing at the bedside; but it is bound to introduce unfair inequalities among patients and lack of political accountability towards citizens. In this paper I shall argue that this dilemma is false, since a third intermediate alternative exists. This alternative, which I term 'administrative gatekeeping', makes it possible for physicians to be involved in rationing while at the same time being genuine advocates of their patients. According to this ideal, physicians are required to follow fair rules of rationing adopted at higher organizational levels within healthcare systems. At the same time, however, they are prohibited from including considerations of cost in their clinical decisions.

Nonparametric estimation of median survival times with applications to multi-site or multi-center studies.

PubMed

Rahbar, Mohammad H; Choi, Sangbum; Hong, Chuan; Zhu, Liang; Jeon, Sangchoon; Gardiner, Joseph C

2018-01-01

We propose a nonparametric shrinkage estimator for the median survival times from several independent samples of right-censored data, which combines the samples and hypothesis information to improve the efficiency. We compare efficiency of the proposed shrinkage estimation procedure to unrestricted estimator and combined estimator through extensive simulation studies. Our results indicate that performance of these estimators depends on the strength of homogeneity of the medians. When homogeneity holds, the combined estimator is the most efficient estimator. However, it becomes inconsistent when homogeneity fails. On the other hand, the proposed shrinkage estimator remains efficient. Its efficiency decreases as the equality of the survival medians is deviated, but is expected to be as good as or equal to the unrestricted estimator. Our simulation studies also indicate that the proposed shrinkage estimator is robust to moderate levels of censoring. We demonstrate application of these methods to estimating median time for trauma patients to receive red blood cells in the Prospective Observational Multi-center Major Trauma Transfusion (PROMMTT) study.

Constructing an ethical framework for embryo donation to research: is it time for a restricted consent policy?

PubMed

Ehrich, Kathryn; Farsides, Bobbie; Williams, Clare; Scott, Rosamund

2011-06-01

An Ethics & Policy Workshop was held with 20 invited UK stakeholders to consider whether embryo donors should be able to restrict the future use of human embryonic stem cells (hESCs) created from their embryos. Participants cited tensions between pure altruism and a more reciprocal basis for donation; and between basic research (in which genetic material would never form part of another living being) and treatment applications. Two restriction models were suggested to acknowledge specific ethical issues raised by hESCs' use in research and treatments: (1) a two tier system: hESCs with unrestricted consent could go to the UK Stem Cell Bank; those with restricted consent could be used in individual labs which could guarantee to honour the restrictions, and Bank deposit would not be required. (2) a three category system: restrictions could include (i) basic hESC research; (ii) hESC research and treatment; no gamete derivation (iii) 'unrestricted' hESC research and treatment.

Top-Down Characterization of the Post-Translationally Modified Intact Periplasmic Proteome from the Bacterium Novosphingobium aromaticivorans

DOE PAGES

Wu, Si; Brown, Roslyn N.; Payne, Samuel H.; ...

2013-01-01

The periplasm of Gram-negative bacteria is a dynamic and physiologically important subcellular compartment where the constant exposure to potential environmental insults amplifies the need for proper protein folding and modifications. Top-down proteomics analysis of the periplasmic fraction at the intact protein level provides unrestricted characterization and annotation of the periplasmic proteome, including the post-translational modifications (PTMs) on these proteins. Here, we used single-dimension ultra-high pressure liquid chromatography coupled with the Fourier transform mass spectrometry (FTMS) to investigate the intact periplasmic proteome of Novosphingobium aromaticivorans . Our top-down analysis provided the confident identification of 55 proteins in the periplasm and characterizedmore » their PTMs including signal peptide removal, N-terminal methionine excision, acetylation, glutathionylation, pyroglutamate, and disulfide bond formation. This study provides the first experimental evidence for the expression and periplasmic localization of many hypothetical and uncharacterized proteins and the first unrestrictive, large-scale data on PTMs in the bacterial periplasm.« less

The plant phenological online database (PPODB): an online database for long-term phenological data

NASA Astrophysics Data System (ADS)

Dierenbach, Jonas; Badeck, Franz-W.; Schaber, Jörg

2013-09-01

We present an online database that provides unrestricted and free access to over 16 million plant phenological observations from over 8,000 stations in Central Europe between the years 1880 and 2009. Unique features are (1) a flexible and unrestricted access to a full-fledged database, allowing for a wide range of individual queries and data retrieval, (2) historical data for Germany before 1951 ranging back to 1880, and (3) more than 480 curated long-term time series covering more than 100 years for individual phenological phases and plants combined over Natural Regions in Germany. Time series for single stations or Natural Regions can be accessed through a user-friendly graphical geo-referenced interface. The joint databases made available with the plant phenological database PPODB render accessible an important data source for further analyses of long-term changes in phenology. The database can be accessed via www.ppodb.de .

The role of industry in Internet education.

PubMed

Wieting, Mark W; Mevis, Howard; Zuckerman, Joseph D

2003-07-01

Each year hundreds of accredited continuing medical education conferences and meetings receive industry support through unrestricted educational grants. Many of these programs might not occur without this funding support. With the explosive growth of continuing medical education on the Internet, industry again is being asked to provide assistance through unrestricted educational grants and in some instances educational content. At the same time, industry is using the Internet to provide orthopaedic surgeons with education and information about their products and services. Education and information do not require continuing medical education accreditation to be valuable. Although some people in continuing medical education voice ethical concerns regarding the nature of industry's involvement in education, meeting the needs of orthopaedic surgeons remains the top priority. As demands on the orthopaedic surgeons' time continue to impact participation in educational meetings, industry will continue to play a critical role in helping educational organizations such as medical specialty societies develop new, innovative educational programs for presentation via the Internet.

Nonparametric estimation of median survival times with applications to multi-site or multi-center studies

PubMed Central

Choi, Sangbum; Hong, Chuan; Zhu, Liang; Jeon, Sangchoon; Gardiner, Joseph C.

2018-01-01

We propose a nonparametric shrinkage estimator for the median survival times from several independent samples of right-censored data, which combines the samples and hypothesis information to improve the efficiency. We compare efficiency of the proposed shrinkage estimation procedure to unrestricted estimator and combined estimator through extensive simulation studies. Our results indicate that performance of these estimators depends on the strength of homogeneity of the medians. When homogeneity holds, the combined estimator is the most efficient estimator. However, it becomes inconsistent when homogeneity fails. On the other hand, the proposed shrinkage estimator remains efficient. Its efficiency decreases as the equality of the survival medians is deviated, but is expected to be as good as or equal to the unrestricted estimator. Our simulation studies also indicate that the proposed shrinkage estimator is robust to moderate levels of censoring. We demonstrate application of these methods to estimating median time for trauma patients to receive red blood cells in the Prospective Observational Multi-center Major Trauma Transfusion (PROMMTT) study. PMID:29772007

Different equation-of-motion coupled cluster methods with different reference functions: The formyl radical

NASA Astrophysics Data System (ADS)

Kuś, Tomasz; Bartlett, Rodney J.

2008-09-01

The doublet and quartet excited states of the formyl radical have been studied by the equation-of-motion (EOM) coupled cluster (CC) method. The Sz spin-conserving singles and doubles (EOM-EE-CCSD) and singles, doubles, and triples (EOM-EE-CCSDT) approaches, as well as the spin-flipped singles and doubles (EOM-SF-CCSD) method have been applied, subject to unrestricted Hartree-Fock (HF), restricted open-shell HF, and quasirestricted HF references. The structural parameters, vertical and adiabatic excitation energies, and harmonic vibrational frequencies have been calculated. The issue of the reference function choice for the spin-flipped (SF) method and its impact on the results has been discussed using the experimental data and theoretical results available. The results show that if the appropriate reference function is chosen so that target states differ from the reference by only single excitations, then EOM-EE-CCSD and EOM-SF-CCSD methods give a very good description of the excited states. For the states that have a non-negligible contribution of the doubly excited configurations one is able to use the SF method with such a reference function, that in most cases the performance of the EOM-SF-CCSD method is better than that of the EOM-EE-CCSD approach.

48 CFR 1480.403 - Deviations.

Code of Federal Regulations, 2014 CFR

2014-10-01

... is a civilian serving in a position in a grade above GS-15 under the General Schedule or in a... market research; and (3) If appropriate, compete the purchase using an unrestricted small business set... small business suppliers through market research; and (3) If appropriate, compete the purchase using an...

The Creative Deliverable: A Short Communication

ERIC Educational Resources Information Center

Hartel, Jenna; Noone, Rebecca; Oh, Christie

2017-01-01

This paper encourages educators in library and information science (LIS) to adopt the "creative deliverable," that is, an assignment that gives students the freedom to display their understanding of course material in an almost unrestricted range of alternative formats and genres, while retaining some key features of traditional…

42 CFR 124.517 - Unrestricted availability compliance alternative for Title VI-assisted facilities.

Code of Federal Regulations, 2010 CFR

2010-10-01

... for Title VI-assisted facilities. 124.517 Section 124.517 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES HEALTH RESOURCES DEVELOPMENT MEDICAL FACILITY CONSTRUCTION AND... availability compliance alternative for Title VI-assisted facilities. (a) Effect of certification. The...

Open Enrollment and Fiscal Incentives.

ERIC Educational Resources Information Center

Meadows, George R.

The purpose of this paper is to investigate the potential role of selected fiscal incentives in attempting to achieve greater racial and socioeconomic integration through open enrollment programs. Three premises underlie this paper: first, that past experience with district wide unrestricted (color-blind) open enrollment plans indicate that this…

46 CFR 11.470 - Officer endorsements as offshore installation manager.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 1 2010-10-01 2010-10-01 false Officer endorsements as offshore installation manager... Officer endorsements as offshore installation manager. (a) Officer endorsements as offshore installation manager (OIM) include: (1) OIM Unrestricted; (2) OIM Surface Units on Location; (3) OIM Surface Units...

14 CFR 27.777 - Cockpit controls.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Cockpit controls. 27.777 Section 27.777... Cockpit controls. Cockpit controls must be— (a) Located to provide convenient operation and to prevent... there is full and unrestricted movement of each control without interference from the cockpit structure...

78 FR 56753 - License Amendment for Aptuit, LLC, Kansas City, Missouri

Federal Register 2010, 2011, 2012, 2013, 2014

2013-09-13

..., LLC, Kansas City, Missouri AGENCY: Nuclear Regulatory Commission. ACTION: Environmental assessment and... City, Missouri to make it suitable for unrestricted use in accordance with the NRC requirements. The... licensee's Kansas City, Missouri facility as a location of use for radioactive byproduct materials on May...

Incorporating Aquatic Interspecies Toxicity Estimates into Large Databases: Model Evaluations and Data Gains

EPA Science Inventory

The Chemical Aquatic Fate and Effects (CAFE) database, developed by NOAA’s Emergency Response Division (ERD), is a centralized data repository that allows for unrestricted access to fate and effects data. While this database was originally designed to help support decisions...

Ground-state densities from the Rayleigh-Ritz variation principle and from density-functional theory.

PubMed

Kvaal, Simen; Helgaker, Trygve

2015-11-14

The relationship between the densities of ground-state wave functions (i.e., the minimizers of the Rayleigh-Ritz variation principle) and the ground-state densities in density-functional theory (i.e., the minimizers of the Hohenberg-Kohn variation principle) is studied within the framework of convex conjugation, in a generic setting covering molecular systems, solid-state systems, and more. Having introduced admissible density functionals as functionals that produce the exact ground-state energy for a given external potential by minimizing over densities in the Hohenberg-Kohn variation principle, necessary and sufficient conditions on such functionals are established to ensure that the Rayleigh-Ritz ground-state densities and the Hohenberg-Kohn ground-state densities are identical. We apply the results to molecular systems in the Born-Oppenheimer approximation. For any given potential v ∈ L(3/2)(ℝ(3)) + L(∞)(ℝ(3)), we establish a one-to-one correspondence between the mixed ground-state densities of the Rayleigh-Ritz variation principle and the mixed ground-state densities of the Hohenberg-Kohn variation principle when the Lieb density-matrix constrained-search universal density functional is taken as the admissible functional. A similar one-to-one correspondence is established between the pure ground-state densities of the Rayleigh-Ritz variation principle and the pure ground-state densities obtained using the Hohenberg-Kohn variation principle with the Levy-Lieb pure-state constrained-search functional. In other words, all physical ground-state densities (pure or mixed) are recovered with these functionals and no false densities (i.e., minimizing densities that are not physical) exist. The importance of topology (i.e., choice of Banach space of densities and potentials) is emphasized and illustrated. The relevance of these results for current-density-functional theory is examined.

Regulatory and effector functions of gamma-delta (γδ) T cells and their therapeutic potential in adoptive cellular therapy for cancer.

PubMed

Paul, Sourav; Lal, Girdhari

2016-09-01

γδ T cells are an important innate immune component of the tumor microenvironment and are known to affect the immune response in a wide variety of tumors. Unlike αβ T cells, γδ T cells are capable of spontaneous secretion of IL-17A and IFN-γ without undergoing clonal expansion. Although γδ T cells do not require self-MHC-restricted priming, they can distinguish "foreign" or transformed cells from healthy self-cells by using activating and inhibitory killer Ig-like receptors. γδ T cells were used in several clinical trials to treat cancer patient due to their MHC-unrestricted cytotoxicity, ability to distinguish transformed cells from normal cells, the capacity to secrete inflammatory cytokines and also their ability to enhance the generation of antigen-specific CD8(+) and CD4(+) T cell response. In this review, we discuss the effector and regulatory function of γδ T cells in the tumor microenvironment with special emphasis on the potential for their use in adoptive cellular immunotherapy. © 2016 UICC.

Interaction Analysis in MANOVA.

ERIC Educational Resources Information Center

Betz, M. Austin

Simultaneous test procedures (STPS for short) in the context of the unrestricted full rank general linear multivariate model for population cell means are introduced and utilized to analyze interactions in factorial designs. By appropriate choice of an implying hypothesis, it is shown how to test overall main effects, interactions, simple main,…

Investigating Navy Officer Retention Using Data Farming

DTIC Science & Technology

2015-09-01

runs on Microsoft Access . Contractors from SAG Corporation translated the code into Visual Basic for Applications ( VBA ), bringing several benefits...18  b.  Accessions ............................................................. 18  c.  Promotions...Strategic Actions Group SEED Simulation Experiments & Efficient Design URL Unrestricted Line VBA Visual Basic for Applications VV&A Verification

5 CFR 532.801 - Payment of unrestricted rates for recruitment or retention purposes.

Code of Federal Regulations, 2011 CFR

2011-01-01

... determines that such exceptions are necessary to ensure the recruitment or retention of qualified employees... agencies' headquarters to the appropriate lead agency. The lead agency shall coordinate each request with... include any available supporting wage survey data and a formal recommendation by the lead agency to...

25 CFR 117.15 - Collections from insurance companies.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 25 Indians 1 2013-04-01 2013-04-01 false Collections from insurance companies. 117.15 Section 117... COMPETENCY § 117.15 Collections from insurance companies. Moneys collected from insurance companies for loss... property. Moneys collected from insurance companies for loss or damage to unrestricted real or personal...

25 CFR 117.15 - Collections from insurance companies.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 25 Indians 1 2014-04-01 2014-04-01 false Collections from insurance companies. 117.15 Section 117... COMPETENCY § 117.15 Collections from insurance companies. Moneys collected from insurance companies for loss... property. Moneys collected from insurance companies for loss or damage to unrestricted real or personal...

25 CFR 117.15 - Collections from insurance companies.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 25 Indians 1 2012-04-01 2011-04-01 true Collections from insurance companies. 117.15 Section 117... COMPETENCY § 117.15 Collections from insurance companies. Moneys collected from insurance companies for loss... property. Moneys collected from insurance companies for loss or damage to unrestricted real or personal...

25 CFR 117.15 - Collections from insurance companies.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 25 Indians 1 2010-04-01 2010-04-01 false Collections from insurance companies. 117.15 Section 117... COMPETENCY § 117.15 Collections from insurance companies. Moneys collected from insurance companies for loss... property. Moneys collected from insurance companies for loss or damage to unrestricted real or personal...

25 CFR 117.15 - Collections from insurance companies.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 25 Indians 1 2011-04-01 2011-04-01 false Collections from insurance companies. 117.15 Section 117... COMPETENCY § 117.15 Collections from insurance companies. Moneys collected from insurance companies for loss... property. Moneys collected from insurance companies for loss or damage to unrestricted real or personal...

12 CFR 989.2 - Audit requirements.

Code of Federal Regulations, 2010 CFR

2010-01-01

... General of the United States. (d) An independent, external auditor must meet at least twice each year with.... (e) Finance Board examiners shall have unrestricted access to all auditors' work papers and to the auditors to address substantive accounting issues that may arise during the course of any audit. [65 FR...

75 FR 20248 - Categorical Exclusions From Environmental Review

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-19

... soils meet the provisions for unrestricted use in 10 CFR 20.1402 by applying NRC- approved..., the activity of licensed material would reach sufficiently low levels such that decontamination of the building or of soils would not be needed. However, the GEIS did not enable the Commission to determine that...

78 FR 25415 - Waivers Under the Refined Sugar Re-Export Program

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-01

... license amounts and provide greater flexibility to offset exports and transfers with raw sugar imports...-Export Program, refiners may enter raw sugar unrestricted by the quantitative limit established for the raw sugar tariff-rate quota or the requirements of certificates of quota eligibility provided for in...

Financial Reporting for Public Institutions in New Mexico.

ERIC Educational Resources Information Center

New Mexico Commission on Higher Education.

This manual is intended to provide public institutions of higher education in New Mexico with a consistent and uniform system for treating institutional finance data. Part 1 presents accounting principles for fund accounting, restricted and unrestricted funds, accrual accounting, and handling other charges and revenues. Part 2 provides general…

Assessing Vocational Interests in the Basque Country Using Paired Comparison Design

ERIC Educational Resources Information Center

Elosua, Paula

2007-01-01

This article proposes the Thurstonian paired comparison model to assess vocational preferences and uses this approach to evaluate the Realistic, Investigative, Artistic, Social, Enterprise, and Conventional (RIASEC) model in the Basque Country (Spain). First, one unrestricted model is estimated in the Structural Equation Modelling framework using…

Alaska's Economy: What's Ahead?

ERIC Educational Resources Information Center

Alaska Review of Social and Economic Conditions, 1987

1987-01-01

This review describes Alaska's economic boom of the early 1980s, the current recession, and economic projections for the 1990s. Alaska's economy is largely influenced by oil prices, since petroleum revenues make up 80% of the state government's unrestricted general fund revenues. Expansive state spending was responsible for most of Alaska's…

48 CFR 19.203 - Relationship among small business programs.

Code of Federal Regulations, 2011 CFR

2011-10-01

... not proceed with a small business set-aside and purchases on an unrestricted basis, the contracting... agrees to its release in accordance with 13 CFR parts 124, 125 and 126. (d) Small business set-asides have priority over acquisitions using full and open competition. See requirements for establishing a...

42 CFR 4.5 - Use of materials from the collections.

Code of Federal Regulations, 2010 CFR

2010-10-01

... NATIONAL LIBRARY OF MEDICINE § 4.5 Use of materials from the collections. (a) Unrestricted materials... any interested person only in facilities provided by the Library for this purpose. The Director may prescribe additional reasonable rules to assure the most effective use of the Library's resources by health...

42 CFR 4.5 - Use of materials from the collections.

Code of Federal Regulations, 2011 CFR

2011-10-01

... NATIONAL LIBRARY OF MEDICINE § 4.5 Use of materials from the collections. (a) Unrestricted materials... any interested person only in facilities provided by the Library for this purpose. The Director may prescribe additional reasonable rules to assure the most effective use of the Library's resources by health...

78 FR 80367 - Federal Acquisition Regulation; Federal Acquisition Circular 2005-72; Introduction

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-31

...-ended, unrestricted indemnification clause. This rule clarified for the public that an End User License... and nonbinding against the Government and Government- authorized end-users. The rule contained a new... application of the World Trade Organization Government Procurement Agreement and the Free Trade Agreements as...

49 CFR 821.24 - Initiation of proceeding.

Code of Federal Regulations, 2010 CFR

2010-10-01

... after the date on which notice of the Administrator's denial was served on the petitioner. (b) Form and content of petition. The petition may be in letter form. It shall identify the Administrator's certificate... was issued. (e) New evidence. Where review of a denial of an unrestricted medical certificate is at...

10 CFR 20.1302 - Compliance with dose limits for individual members of the public.

Code of Federal Regulations, 2013 CFR

2013-01-01

... public. 20.1302 Section 20.1302 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Radiation Dose Limits for Individual Members of the Public § 20.1302 Compliance with dose limits..., surveys of radiation levels in unrestricted and controlled areas and radioactive materials in effluents...

10 CFR 20.1302 - Compliance with dose limits for individual members of the public.

Code of Federal Regulations, 2014 CFR

2014-01-01

... public. 20.1302 Section 20.1302 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Radiation Dose Limits for Individual Members of the Public § 20.1302 Compliance with dose limits..., surveys of radiation levels in unrestricted and controlled areas and radioactive materials in effluents...

10 CFR 20.1302 - Compliance with dose limits for individual members of the public.

Code of Federal Regulations, 2012 CFR

2012-01-01

... public. 20.1302 Section 20.1302 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Radiation Dose Limits for Individual Members of the Public § 20.1302 Compliance with dose limits..., surveys of radiation levels in unrestricted and controlled areas and radioactive materials in effluents...

10 CFR 20.1302 - Compliance with dose limits for individual members of the public.

Code of Federal Regulations, 2011 CFR

2011-01-01

... public. 20.1302 Section 20.1302 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Radiation Dose Limits for Individual Members of the Public § 20.1302 Compliance with dose limits..., surveys of radiation levels in unrestricted and controlled areas and radioactive materials in effluents...

10 CFR 20.1302 - Compliance with dose limits for individual members of the public.

Code of Federal Regulations, 2010 CFR

2010-01-01

... public. 20.1302 Section 20.1302 Energy NUCLEAR REGULATORY COMMISSION STANDARDS FOR PROTECTION AGAINST RADIATION Radiation Dose Limits for Individual Members of the Public § 20.1302 Compliance with dose limits..., surveys of radiation levels in unrestricted and controlled areas and radioactive materials in effluents...

9 CFR 95.9 - Glue stock; requirements for unrestricted entry.

Code of Federal Regulations, 2014 CFR

2014-01-01

... SANITARY CONTROL OF ANIMAL BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE... Agriculture to be infected with foot-and-mouth disease or rinderpest may be imported without other restriction...-and-mouth disease, and rinderpest, and to assure further the identity of such materials until loaded...

A Multiple-Channel Model of Task-Dependent Ambiguity Resolution in Sentence Comprehension

ERIC Educational Resources Information Center

Logacev, Pavel; Vasishth, Shravan

2016-01-01

Traxler, Pickering, and Clifton (1998) found that ambiguous sentences are read faster than their unambiguous counterparts. This so-called "ambiguity advantage" has presented a major challenge to classical theories of human sentence comprehension (parsing) because its most prominent explanation, in the form of the unrestricted race model…

The Mystique of University Endowments.

ERIC Educational Resources Information Center

Kemeny, John G.

1983-01-01

Whether a university has a "balanced budget" is influenced by board decisions on investment, endowment utilization, and allocation of unrestricted gifts. One can only hope to protect endowment against inflation under economic conditions that make it possible to achieve a total return rate significantly higher than the rate of inflation.…

Legal Guide for Senior Citizens: Laws and Programs Affecting Kansas Senior Citizens.

ERIC Educational Resources Information Center

Hollinger, Judith A., Ed.

This booklet is intended to inform (not advise) older Kansans about eligibility requirements and benefits provided by state and federal programs. Financial assistance programs discussed are Social Security, railroad retirements, veterans' benefits, unrestricted general assistance, Employee Retirement Income Security Act, food stamps, Low Income…

ARL Statement on Unlimited Use and Exchange of Bibliographic Records.

ERIC Educational Resources Information Center

Association of Research Libraries, Washington, DC.

The Association of Research Libraries is fully committed to the principle of unrestricted access to and dissemination of ideas, i.e., member libraries must have unlimited access to the machine-readable bibliographic records which are created by member libraries and maintained in bibliographic utilities. Coordinated collection development programs…

Infant Operant Conditioning and Its Implications for Early Intervention.

ERIC Educational Resources Information Center

Lancioni, Giullo E.

1980-01-01

In this article infant operant conditioning studies are grouped according to distinct procedures: free operant; discrete trial with one discriminative stimulus; discrete trial with two or more discriminative stimuli; controlled operant with two or more discriminative stimuli; and unrestricted operant with two or more discriminative stimuli.…

Factor Analysis by Generalized Least Squares.

ERIC Educational Resources Information Center

Joreskog, Karl G.; Goldberger, Arthur S.

Aitkin's generalized least squares (GLS) principle, with the inverse of the observed variance-covariance matrix as a weight matrix, is applied to estimate the factor analysis model in the exploratory (unrestricted) case. It is shown that the GLS estimates are scale free and asymptotically efficient. The estimates are computed by a rapidly…

10 CFR 52.1 - Definitions.

Code of Federal Regulations, 2010 CFR

2010-01-01

... level that permits— (i) Release of the property for unrestricted use and termination of the license; or..., even though the nuclear power station may have some shared or common systems. Prototype plant means a....43(e). The prototype plant is similar to a first-of-a-kind or standard plant design in all features...

Spin-Multiplet Components and Energy Splittings by Multistate Density Functional Theory.

PubMed

Grofe, Adam; Chen, Xin; Liu, Wenjian; Gao, Jiali

2017-10-05

Kohn-Sham density functional theory has been tremendously successful in chemistry and physics. Yet, it is unable to describe the energy degeneracy of spin-multiplet components with any approximate functional. This work features two contributions. (1) We present a multistate density functional theory (MSDFT) to represent spin-multiplet components and to determine multiplet energies. MSDFT is a hybrid approach, taking advantage of both wave function theory and density functional theory. Thus, the wave functions, electron densities and energy density-functionals for ground and excited states and for different components are treated on the same footing. The method is illustrated on valence excitations of atoms and molecules. (2) Importantly, a key result is that for cases in which the high-spin components can be determined separately by Kohn-Sham density functional theory, the transition density functional in MSDFT (which describes electronic coupling) can be defined rigorously. The numerical results may be explored to design and optimize transition density functionals for configuration coupling in multiconfigurational DFT.

Modeling energy consumption in membrane bioreactors for wastewater treatment in north Africa.

PubMed

Skouterisl, George; Arnot, Tom C; Jraou, Mouna; Feki, Firas; Sayadi, Sami

2014-03-01

Two pilot-scale membrane bioreactors were operated alongside a full-sized activated sludge plant in Tunisia in order to compare specific energy demand and treated water quality. Energy consumption rates were measured for the complete membrane bioreactor systems and for their different components. Specific energy demand was measured for the systems and compared with the activated sludge plant, which operated at around 3 kWh m(-3). A model was developed for each membrane bioreactor based on both dynamic and steady-state mass balances, microbial kinetics and stoichiometry, and energy balance. Energy consumption was evaluated as a function of mixed-liquor suspended solids concentration, net permeate fluxes, and the resultant treated water quality. This work demonstrates the potential for using membrane bioreactors in decentralised domestic water treatment in North Africa, at energy consumption levels similar or lower than conventional activated sludge systems, with the added benefit of producing treated water suitable for unrestricted crop irrigation.

Parallel states of pathological Wnt signaling in neonatal brain injury and colon cancer

PubMed Central

Fancy, Stephen P.J.; Harrington, Emily P.; Baranzini, Sergio E.; Silbereis, John C.; Shiow, Lawrence R.; Yuen, Tracy J.; Huang, Eric J.; Lomvardas, Stavros; Rowitch, David H.

2014-01-01

In colon cancer, mutation of the Wnt repressor Adenomatous polyposis coli (APC) leads to a state of aberrant and unrestricted “high-activity” signaling. However, relevance of high Wnt tone in non-genetic human disease is unknown. Here we demonstrate that distinct Wnt activity functional states determine oligodendrocyte precursor (OPC) differentiation and myelination. Murine OPCs with genetic Wnt dysregulation (high tone) express multiple genes in common with colon cancer including Lef1, SP5, Ets2, Rnf43 and Dusp4. Surprisingly, we find that OPCs in lesions of hypoxic human neonatal white matter injury upregulate markers of high Wnt activity and lack expression of APC. Finally, we show lack of Wnt repressor tone promotes permanent white matter injury after mild hypoxic insult. These findings suggest a state of pathological high-activity Wnt signaling in human disease tissues that lack pre-disposing genetic mutation. PMID:24609463

[Single or double moral standards? Professional ethics of psychiatrists regarding self-determination, rights of third parties and involuntary treatment].

PubMed

Pollmächer, T

2015-09-01

The current intensive discussion on the legal and moral aspects of involuntary treatment of psychiatric patients raises a number of ethical issues. Physicians are unambiguously obligated to protect patient welfare and autonomy; however, in psychiatric patients disease-related restrictions in the capacity of self-determination and behaviors endangering the rights of third parties can seriously challenge this unambiguity. Therefore, psychiatry is assumed to have a double function and is also obligated to third parties and to society in general. Acceptance of such a kind of double obligation carries the risk of double moral standards, placing the psychiatrist ethically outside the community of physicians and questioning the unrestricted obligation towards the patient. The present article formulates a moral position, which places the psychiatrist, like all other physicians, exclusively on the side of the patient in terms of professional ethics and discusses the practical problems arising from this moral position.

Roles of the Raf/MEK/ERK and PI3K/PTEN/Akt/mTOR pathways in controlling growth and sensitivity to therapy-implications for cancer and aging

PubMed Central

Steelman, Linda S.; Chappell, William H.; Abrams, Stephen L.; Kempf, C. Ruth; Long, Jacquelyn; Laidler, Piotr; Mijatovic, Sanja; Maksimovic-Ivanic, Danijela; Stivala, Franca; Mazzarino, Maria C.; Donia, Marco; Fagone, Paolo; Malaponte, Graziella; Nicoletti, Ferdinando; Libra, Massimo; Milella, Michele; Tafuri, Agostino; Bonati, Antonio; Bäsecke, Jörg; Cocco, Lucio; Evangelisti, Camilla; Martelli, Alberto M.; Montalto, Giuseppe; Cervello, Melchiorre; McCubrey, James A.

2011-01-01

Dysregulated signaling through the Ras/Raf/MEK/ERK and PI3K/PTEN/Akt/mTOR pathways is often the result of genetic alterations in critical components in these pathways or upstream activators. Unrestricted cellular proliferation and decreased sensitivity to apoptotic-inducing agents are typically associated with activation of these pro-survival pathways. This review discusses the functions these pathways have in normal and neoplastic tissue growth and how they contribute to resistance to apoptotic stimuli. Crosstalk and commonly identified mutations that occur within these pathways that contribute to abnormal activation and cancer growth will also be addressed. Finally the recently described roles of these pathways in cancer stem cells, cellular senescence and aging will be evaluated. Controlling the expression of these pathways could ameliorate human health. PMID:21422497

Long non-coding RNA XIST promotes cell growth by regulating miR-139-5p/PDK1/AKT axis in hepatocellular carcinoma.

PubMed

Mo, Yichao; Lu, Yaoyong; Wang, Peng; Huang, Simin; He, Longguang; Li, Dasheng; Li, Fuliang; Huang, Junwei; Lin, Xiaoxia; Li, Xueru; Che, Siyao; Chen, Qinshou

2017-02-01

Abnormal expression of long non-coding RNA often contributes to unrestricted growth of cancer cells. Long non-coding RNA XIST expression is upregulated in several cancers; however, its modulatory mechanisms have not been reported in hepatocellular carcinoma. In this study, we found that XIST expression was significantly increased in hepatocellular carcinoma tissues and cell lines. XIST promoted cell cycle progression from the G1 phase to the S phase and protected cells from apoptosis, which contributed to hepatocellular carcinoma cell growth. In addition, we revealed that there was reciprocal repression between XIST and miR-139-5p. PDK1 was identified as a direct target of miR-139-5p. We proposed that XIST was responsible for hepatocellular carcinoma cell proliferation, and XIST exerted its function through the miR-139-5p/PDK1 axis.

Effect of immobilization on the EEG of the baboon. Comparison with telemetry results from unrestricted animals

NASA Technical Reports Server (NTRS)

Bert, J.; Collomb, H.

1980-01-01

The EEG of the baboon was studied under two very different sets of conditions: 37 were totally immobolized while 12 were studied in their free movements with 4 channel telemetry. For the immobilzed, 3 stages were described: (1) activation, record desynchronized; (2) rest with 13-15 cm/sec rhythm, like the human alpha rhythm stage but with eyes open or closed; (3)relaxation with a decrease in 13-15 rhythm and the appearance of 5-7 cm/sec theta waves, eyelids closed, animal apparently sleeping. For the free animals the rest stage appeared when the animal's attention was not directed anywhere and there was no relaxation stage. It is concluded that the EEG pattern of the immobilized animal that was described as the "relaxation" stage really represents a special functional state which one must distinguish clearly from the physiological stages of sleep.

ArrayNinja: An Open Source Platform for Unified Planning and Analysis of Microarray Experiments.

PubMed

Dickson, B M; Cornett, E M; Ramjan, Z; Rothbart, S B

2016-01-01

Microarray-based proteomic platforms have emerged as valuable tools for studying various aspects of protein function, particularly in the field of chromatin biochemistry. Microarray technology itself is largely unrestricted in regard to printable material and platform design, and efficient multidimensional optimization of assay parameters requires fluidity in the design and analysis of custom print layouts. This motivates the need for streamlined software infrastructure that facilitates the combined planning and analysis of custom microarray experiments. To this end, we have developed ArrayNinja as a portable, open source, and interactive application that unifies the planning and visualization of microarray experiments and provides maximum flexibility to end users. Array experiments can be planned, stored to a private database, and merged with the imaged results for a level of data interaction and centralization that is not currently attainable with available microarray informatics tools. © 2016 Elsevier Inc. All rights reserved.

Functionalized bimodal mesoporous silicas as carriers for controlled aspirin delivery

NASA Astrophysics Data System (ADS)

Gao, Lin; Sun, Jihong; Li, Yuzhen

2011-08-01

The bimodal mesoporous silica modified with 3-aminopropyltriethoxysilane was performed as the aspirin carrier. The samples' structure, drug loading and release profiles were characterized with X-ray diffraction, scanning electron microscopy, N 2 adsorption and desorption, Fourier transform infrared spectroscopy, TG analysis, elemental analysis and UV-spectrophotometer. For further exploring the effects of the bimodal mesopores on the drug delivery behavior, the unimodal mesoporous material MCM-41 was also modified as the aspirin carrier. Meantime, Korsmeyer-Peppas equation ft= ktn was employed to analyze the dissolution data in details. It is indicated that the bimodal mesopores are beneficial for unrestricted drug molecules diffusing and therefore lead to a higher loading and faster releasing than that of MCM-41. The results show that the aspirin delivery properties are influenced considerably by the mesoporous matrix, whereas the large pore of bimodal mesoporous silica is the key point for the improved controlled-release properties.

Multiconfiguration Pair-Density Functional Theory.

PubMed

Li Manni, Giovanni; Carlson, Rebecca K; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G; Gagliardi, Laura

2014-09-09

We present a new theoretical framework, called Multiconfiguration Pair-Density Functional Theory (MC-PDFT), which combines multiconfigurational wave functions with a generalization of density functional theory (DFT). A multiconfigurational self-consistent-field (MCSCF) wave function with correct spin and space symmetry is used to compute the total electronic density, its gradient, the on-top pair density, and the kinetic and Coulomb contributions to the total electronic energy. We then use a functional of the total density, its gradient, and the on-top pair density to calculate the remaining part of the energy, which we call the on-top-density-functional energy in contrast to the exchange-correlation energy of Kohn-Sham DFT. Because the on-top pair density is an element of the two-particle density matrix, this goes beyond the Hohenberg-Kohn theorem that refers only to the one-particle density. To illustrate the theory, we obtain first approximations to the required new type of density functionals by translating conventional density functionals of the spin densities using a simple prescription, and we perform post-SCF density functional calculations using the total density, density gradient, and on-top pair density from the MCSCF calculations. Double counting of dynamic correlation or exchange does not occur because the MCSCF energy is not used. The theory is illustrated by applications to the bond energies and potential energy curves of H2, N2, F2, CaO, Cr2, and NiCl and the electronic excitation energies of Be, C, N, N(+), O, O(+), Sc(+), Mn, Co, Mo, Ru, N2, HCHO, C4H6, c-C5H6, and pyrazine. The method presented has a computational cost and scaling similar to MCSCF, but a quantitative accuracy, even with the present first approximations to the new types of density functionals, that is comparable to much more expensive multireference perturbation theory methods.

Sustaining Phenolic Impregnated Carbon Ablator (PICA) TPS for Future NASA Robotic Science Missions Including NF-4 and Discovery

NASA Technical Reports Server (NTRS)

Venkatapathy, E.; Stackpoole, M.; Violette, S.

2018-01-01

Phenolic Impregnated Carbon Ablator (PICA), invented in the mid 1990s, is a low-density ablative thermal protection material proven capable of meeting sample return mission needs from the moon, asteroids, comets and other unrestricted class V destinations as well as for Mars. Its low density and efficient performance characteristics have proven effective for use from Discovery to Flagship class missions. It is important that NASA maintain this TPS material capability and ensure its availability for future NASA use. The rayon based carbon precursor raw material used in PICA preform manufacturing required replacement and requalification at least twice in the past 25 years and a third substitution is now needed. The carbon precursor replacement challenge is twofold the first involves finding a long-term replacement for the current rayon and the second is to assess its future availability periodically to ensure it is sustainable and be alerted if additional replacement efforts need to be initiated. Rayon is no longer a viable process in the US and Europe due to environmental concerns. In the early 80s rayon producers began investigating a new method of producing a cellulosic fiber through a more environmentally responsible process. This cellulosic fiber, lyocell, is a viable replacement precursor for PICA fiberform. This presentation reviews current SMD-PSD funded PICA sustainability activities in ensuring a rayon replacement for the long term is identified and in establishing that the capability of the new PICA derived from an alternative precursor is in family with previous versions of the so called heritage PICA.

Sustaining PICA for Future NASA Robotic Science Missions Including NF-4 and Discovery

NASA Technical Reports Server (NTRS)

Stackpoole, Mairead; Venkatapathy, Ethiraj; Violette, Steven

2018-01-01

Phenolic Impregnated Carbon Ablator (PICA), invented in the mid 1990's, is a low-density ablative thermal protection material proven capable of meeting sample return mission needs from the moon, asteroids, comets and other "unrestricted class V destinations" as well as for Mars. Its low density and efficient performance characteristics have proven effective for use from Discovery to Flagship class missions. It is important that NASA maintain this TPS material capability and ensure its availability for future NASA use. The rayon based carbon precursor raw material used in PICA preform manufacturing required replacement and requalification at least twice in the past 25 years and a third substitution is now needed. The carbon precursor replacement challenge is twofold - the first involves finding a long-term replacement for the current rayon and the second is to assess its future availability periodically to ensure it is sustainable and be alerted if additional replacement efforts need to be initiated. Rayon is no longer a viable process in the US and Europe due to environmental concerns. In the early 80's rayon producers began investigating a new method of producing a cellulosic fiber through a more environmentally responsible process. This cellulosic fiber, lyocell, is a viable replacement precursor for PICA fiberform. This presentation reviews current SMD-PSD funded PICA sustainability activities in ensuring a rayon replacement for the long term is identified and in establishing that the capability of the new PICA derived from an alternative precursor is in family with previous versions of the so called "heritage" PICA.

Plasmodium falciparum exhibits markers of regulated cell death at high population density in vitro.

PubMed

Engelbrecht, Dewaldt; Coetzer, Thérèsa Louise

2016-12-01

The asexual erythrocytic cycle of the protozoan parasite Plasmodium falciparum is responsible for the pathogenesis of malaria and causes the overwhelming majority of malaria deaths. Rapidly increasing parasitaemia during this 48hour cycle threatens the survival of the human host and the parasite prior to transmission of the slow-maturing sexual stages to the mosquito host. The parasite may utilise regulated cell death (RCD) to control the burden of infection on the host and thus aid its own survival and transmission. The occurrence of RCD in P. falciparum remains a controversial topic. We provide strong evidence for the occurrence of an apoptosis-like phenotype of RCD in P. falciparum under conditions of high parasite density. P. falciparum was maintained in vitro and stressed by allowing growth to an unrestricted peak parasitaemia. Cell death markers, including morphological changes, DNA fragmentation, mitochondrial polarisation and phosphatidylserine externalisation were used to characterise parasite death at the time of peak parasitaemia and 24h later. At peak parasitaemia, mitochondrial depolarisation was observed, together with phosphatidylserine externalisation in both parasitised- and neighbouring non-infected erythrocytes. DNA fragmentation coincided with a decline in parasitaemia. Fewer merozoites were observed in mature schizonts at peak parasitaemia. Growth recovery to near-peak parasitaemia was noted within two intraerythrocytic cycles. The combination and chronological order of the biochemical markers of cell death suggest the occurrence of an apoptosis-like phenotype. The identification of a RCD pathway in P. falciparum may provide novel drug targets, particularly if the pathway differs from the host machinery. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Rehabilitation of an Elite Olympic Class Sailor With MCL Injury

PubMed Central

Herrera, Chris; Cicerale, Stephanie; Moses, Kevin; Smiley, Philip

2009-01-01

Background A paucity of literature exists related to the care of sailing athletes with knee injuries. Hiking has been examined to describe its demands, but comprehensive sources for rehabilitation recommendations based upon evidence are non-existent. Guidance and understanding of human motion are key to success in the face of limited evidence. Objectives Impairments and functional restrictions were identified in a Finn Sailor with MCL (medial collateral ligament) injury. A regimen of strengthening, conditioning, and functional benchmarks was devised to progress a sailing athlete from non-functional to sailing specific training and the athlete's competitive goal. Coordination with a strength/conditioning professional was key to maintaining the athlete's competitive level. Case description The patient is a 21 year old Finn class sailor with an acute MCL knee injury eight weeks prior to a world class and national ranking event. Following evaluation, treatment with sailing-specific functional testing coincided with training/conditioning. Common-sense functional tasks were used to replicate demands of hiking and balancing to evaluate readiness for sailing/training. Outcomes Return to sailing with protection occurred in 12 days, unrestricted training and competition were achieved prior to the ranking event at 8 weeks. Discussion Mobility, stability, control, strength, and endurance are not only crucial to performance in the boat, but sailors need to avoid pitfalls in the boatyard while safely transitioning from land to water. Competitive calendars may not allow for textbook protocol, therefore, all goals should be strongly correlated with functional ability, athlete confidence, and performance needs. PMID:21509107

Long interspersed nuclear elements (LINEs) show tissue-specific, mosaic genome and methylation-unrestricted, widespread expression of noncoding RNAs in somatic tissues of the rat

PubMed Central

Singh, Deepak K.; Rath, Pramod C.

2012-01-01

We report strong somatic and germ line expression of LINE RNAs in eight different tissues of rat by using a novel ~2.8 kb genomic PstI-LINE DNA (P1-LINE) isolated from the rat brain. P1-LINE is present in a 93 kb LINE-SINE-cluster in sub-telomeric region of chromosome 12 (12p12) and as multiple truncated copies interspersed in all rat chromosomes. P1-LINEs occur as inverted repeats at multiple genomic loci in tissue-specific and mosaic patterns. P1-LINE RNAs are strongly expressed in brain, liver, lungs, heart, kidney, testes, spleen and thymus into large to small heterogeneous RNAs (~5.0 to 0.2 kb) in tissue-specific and dynamic patterns in individual rats. P1-LINE DNA is strongly methylated at CpG-dinucleotides in most genomic copies in all the tissues and weakly hypomethylated in few copies in some tissues. Small (700–75 nt) P1-LINE RNAs expressed in all tissues may be possible precursors for small regulatory RNAs (PIWI-interacting/piRNAs) bioinformatically derived from P1-LINE. The strong and dynamic expression of LINE RNAs from multiple chromosomal loci and the putative piRNAs in somatic tissues of rat under normal physiological conditions may define functional chromosomal domains marked by LINE RNAs as long noncoding RNAs (lncRNAs) unrestricted by DNA methylation. The tissue-specific, dynamic RNA expression and mosaic genomic distribution of LINEs representing a steady-state genomic flux of retrotransposon RNAs suggest for biological role of LINE RNAs as long ncRNAs and small piRNAs in mammalian tissues independent of their cellular fate for translation, reverse-transcription and retrotransposition. This may provide evolutionary advantages to LINEs and mammalian genomes. PMID:23064113

Extraction of 223Radium by haemodialysis after treatment of metastatic castration-resistant prostate cancer.

PubMed

Großer, Oliver Stephan; Wissel, Heiko; Wallbaum, Thekla; Genseke, Philipp; Kupitz, Dennis; Ricke, Jens; Ruf, Juri; Amthauer, Holger

2017-06-13

223 Radium-dichloride ( 223 Ra) administration is an upcoming therapeutic option in patients with castration-resistant metastatic prostate cancer (mCRPC), whose renal and faecal excretion of 223 Ra has been primarily estimated from data of a phase-I clinical trial in patients with normal renal function. In the rare case of concomitant renal insufficiency requiring haemodialysis (HD), an estimation of the contamination of dialysate would be beneficial. The excretion of 223 Ra and its concentration in the dialysate in a patient with mCRPC and end-stage renal disease was examined for six consecutive treatment cycles. Dialysate samples were measured using a commercial system with NaI-scintillation detector. HD showed a residual activity level in the remaining dialysate. The excreted activity was a median of 46.1 kBq (range = 42.0- 83.4 kBq) and 11.2 kBq (range = 8.4- 19.9 kBq) for the first (24 h post injection p.i.) and second HD (96 h p.i.), respectively. The activity concentration decreased significantly from a median of 4.18 kBq/l (range = 2.98-5.14 kBq/l) to 0.85 kBq/l (range = 0.69- 1.31 kBq/l, p < 0.0001). For all consecutive time points, the activity concentration further decreased significantly (p < 0.0001). The activity concentration of dialysate from HD performed 125.4 h p.i. [95 % confidence interval = 120.5-130.4 h p.i.] reached the threshold for unrestricted waste disposal. The observed extraction of 223 Ra by HD exceeded the data determined from the phase-I study. The activity concentration in the dialysate observed for the first HD's p.i. was above the threshold for unrestricted disposal of radioactive waste in Germany. Therefore, the specific requirement for waste handling has to be followed to fulfil the radiation protection regulations.

Reformulation of Density Functional Theory for N-Representable Densities and the Resolution of the v-Representability Problem

DOE PAGES

Gonis, A.; Zhang, X. G.; Stocks, G. M.; ...

2015-10-23

Density functional theory for the case of general, N-representable densities is reformulated in terms of density functional derivatives of expectation values of operators evaluated with wave functions leading to a density, making no reference to the concept of potential. The developments provide a complete solution of the v-representability problem by establishing a mathematical procedure that determines whether a density is v-representable and in the case of an affirmative answer determines the potential (within an additive constant) as a derivative with respect to the density of a constrained search functional. It also establishes the existence of an energy functional of themore » density that, for v-representable densities, assumes its minimum value at the density describing the ground state of an interacting many-particle system. The theorems of Hohenberg and Kohn emerge as special cases of the formalism.« less

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

DOE PAGES

Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

2017-11-20

The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

NASA Astrophysics Data System (ADS)

Tao, Jianmin; Ye, Lin-Hui; Duan, Yuhua

2017-12-01

The primary goal of Kohn-Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao-Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew-Burke-Ernzerhof (PBE), Tao-Perdew-Staroverov-Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree-Fock density yields the exchange and correlation energies in good agreement with the Optimized Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Finally, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.

Exchange-correlation energies of atoms from efficient density functionals: influence of the electron density

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

Tao, Jianmin; Ye, Lin -Hui; Duan, Yuhua

The primary goal of Kohn–Sham density functional theory is to evaluate the exchange-correlation contribution to electronic properties. However, the accuracy of a density functional can be affected by the electron density. Here we apply the nonempirical Tao–Mo (TM) semilocal functional to study the influence of the electron density on the exchange and correlation energies of atoms and ions, and compare the results with the commonly used nonempirical semilocal functionals local spin-density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE), Tao–Perdew–Staroverov–Scuseria (TPSS), and hybrid functional PBE0. We find that the spin-restricted Hartree–Fock density yields the exchange and correlation energies in good agreement with the Optimizedmore » Effective Potential method, particularly for spherical atoms and ions. However, the errors of these semilocal and hybrid functionals become larger for self-consistent densities. We further find that the quality of the electron density have greater effect on the exchange-correlation energies of kinetic energy density-dependent meta-GGA functionals TPSS and TM than on those of the LSDA and GGA, and therefore, should have greater influence on the performance of meta-GGA functionals. Lastly, we show that the influence of the density quality on PBE0 is slightly reduced, compared to that of PBE, due to the exact mixing.« less

32 CFR 105.8 - Reporting options and Sexual Assault Reporting Procedures.

Code of Federal Regulations, 2013 CFR

2013-07-01

... victim elects this reporting option, a victim may not change from an Unrestricted to a Restricted Report... agreements. (See § 105.8(a)(6).) If a victim elects this reporting option, a victim may change from..., that decision should be honored in accordance with this subparagraph. However, the victim cannot change...

32 CFR 105.8 - Reporting options and Sexual Assault Reporting Procedures.

Code of Federal Regulations, 2014 CFR

2014-07-01

... victim elects this reporting option, a victim may not change from an Unrestricted to a Restricted Report... agreements. (See § 105.8(a)(6).) If a victim elects this reporting option, a victim may change from..., that decision should be honored in accordance with this subparagraph. However, the victim cannot change...

A Flexible Latent Class Approach to Estimating Test-Score Reliability

ERIC Educational Resources Information Center

van der Palm, Daniël W.; van der Ark, L. Andries; Sijtsma, Klaas

2014-01-01

The latent class reliability coefficient (LCRC) is improved by using the divisive latent class model instead of the unrestricted latent class model. This results in the divisive latent class reliability coefficient (DLCRC), which unlike LCRC avoids making subjective decisions about the best solution and thus avoids judgment error. A computational…

A Latent Class Approach to Estimating Test-Score Reliability

ERIC Educational Resources Information Center

van der Ark, L. Andries; van der Palm, Daniel W.; Sijtsma, Klaas

2011-01-01

This study presents a general framework for single-administration reliability methods, such as Cronbach's alpha, Guttman's lambda-2, and method MS. This general framework was used to derive a new approach to estimating test-score reliability by means of the unrestricted latent class model. This new approach is the latent class reliability…

Evaluating the New Federalism: Implementation of ECIA Chapter Two in Texas.

ERIC Educational Resources Information Center

Katzman, Martin T.

Chapter 2 of the Education Consolidation and Improvement Act (ECIA) provides small amounts of relatively unrestricted federal funds to state and local agencies on a noncompetitive, formulaic basis; thus it has been hailed as the harbinger of the "new Federalism." The lack of narrow constraints and the simplified application and…

Young and old honey bee (Apis mellifera) larvae differentially prime the developmental maturation of their caregivers

USDA-ARS?s Scientific Manuscript database

In eusocial insects daughters rear the offspring of the queen to adulthood. In the honey bee, Apis mellifera, nurses differentially regulate larval nutrition. Among worker-destined larvae, younger instars receive an unrestricted diet paralleling that of queen larvae in protein composition but with r...

High temporal resolution photography for observing riparian area use and grazing behavior

USDA-ARS?s Scientific Manuscript database

In 2014, a 2.4 hectare site within the Apache-Sitgreaves National Forest in northeastern Arizona, USA was selected to characterize temporal and spatial patterns of riparian area use. Three consecutive 30, 8, and 46 day time periods representing 1) unrestricted access, 2) prescribed cattle use, and 3...

7 CFR 1430.104 - Sales from inventories.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 7 Agriculture 10 2012-01-01 2012-01-01 false Sales from inventories. 1430.104 Section 1430.104... Program § 1430.104 Sales from inventories. (a) CCC may sell any dairy product purchased as specified in this subpart for unrestricted use at the market price prevailing for that product at the time of sale...

Likelihood-Based Confidence Intervals in Exploratory Factor Analysis

ERIC Educational Resources Information Center

Oort, Frans J.

2011-01-01

In exploratory or unrestricted factor analysis, all factor loadings are free to be estimated. In oblique solutions, the correlations between common factors are free to be estimated as well. The purpose of this article is to show how likelihood-based confidence intervals can be obtained for rotated factor loadings and factor correlations, by…

The Problem of Labels in E-Assessment of Diagrams

ERIC Educational Resources Information Center

Jayal, Ambikesh; Shepperd, Martin

2009-01-01

In this article we explore a problematic aspect of automated assessment of diagrams. Diagrams have partial and sometimes inconsistent semantics. Typically much of the meaning of a diagram resides in the labels; however, the choice of labeling is largely unrestricted. This means a correct solution may utilize differing yet semantically equivalent…

Forseeable Problems in a System of Maximum Access.

ERIC Educational Resources Information Center

Pemberton, John de J., Jr.

A maximum-access cable television system will eliminate some legal and regulatory problems and introduce others. The operator of a system will no longer be responsible for and in control of what is transmitted over his system. With access unlimited and unrestricted, such regulations of content as the "fairness doctrine" and "equal…

Literature Review on Concurrent Dual Career Development in the URL (unrestricted Line)

DTIC Science & Technology

1989-06-01

Career Development Systems, (3) Multiple Career Paths in Organizations, (4) Skills Required for Management, (5) Predicting Career Success , (6) Skill...10 Sum m ary .............................................................. 11 Predicting Career Success ................................................. 11...Career Paths in Organizations, (4) Skills Required for Management, (5) Predicting Career Success , (6) Skill Requirements of Jobs, (7) Formal Training, (8

7 CFR 318.47-3 - Conditions governing the issuance of certificates and permits.

Code of Federal Regulations, 2010 CFR

2010-01-01

... origin and so certified, are allowed unrestricted movement to any port. (b) Unfumigated lint, linters... insect life therein. (c) Cottonseed cake and meal. (1) Cottonseed cake and meal which have been inspected in the Territory or District of origin and certified by an inspector of the Plant Protection and...

Mixed Methods Analysis of Counselor Views, Attitudes and Perceived Competencies Regarding the Treatment of Internet Pornography Addiction

ERIC Educational Resources Information Center

Hinman, Bradly K.

2013-01-01

The Internet offers unprecedented opportunity for individuals to have anonymous, inexpensive, and unrestricted access to an essentially unlimited range of sexually explicit materials. Counseling clients are increasingly presenting with problematic issues regarding Internet pornography use. The purposes of this mixed-method study were (a) to…

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2014 CFR

2014-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2010 CFR

2010-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2013 CFR

2013-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

50 CFR 21.45 - Depredation order for depredating purple gallinules in Louisiana.

Code of Federal Regulations, 2012 CFR

2012-10-01

... committing or about to commit serious depredations to growing rice crops on the premises owned or occupied by... shall permit at all reasonable times, including during actual operations, any Federal or State game or deputy game agent, warden, protector, or other game law enforcement officer free and unrestricted access...

49 CFR 19.53 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-10-01

... authorized representatives, have the right of timely and unrestricted access to any books, documents, papers... allocation plans, and any similar accounting computations of the rate at which a particular group of costs is... supporting records starts at the end of the fiscal year (or other accounting period) covered by the proposal...

41 CFR 105-72.603 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... representatives, have the right of timely and unrestricted access to any books, documents, papers, or other... accounting computations of the rate at which a particular group of costs is chargeable (such as computer... records starts at the end of the fiscal year (or other accounting period) covered by the proposal, plan...

34 CFR 74.53 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... the right of timely and unrestricted access to any books, documents, papers, or other records of... allocation plans; and any similar accounting computations of the rate at which a particular group of costs is... starts at the end of the fiscal year (or other accounting period) covered by the proposal, plan, or other...

2 CFR 215.53 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-01-01

... representatives, have the right of timely and unrestricted access to any books, documents, papers, or other... any similar accounting computations of the rate at which a particular group of costs is chargeable... supporting records starts at the end of the fiscal year (or other accounting period) covered by the proposal...

7 CFR 3019.53 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-01-01

... representatives, have the right of timely and unrestricted access to any books, documents, papers, or other... any similar accounting computations of the rate at which a particular group of costs is chargeable... supporting records starts at the end of the fiscal year (or other accounting period) covered by the proposal...

29 CFR 95.53 - Retention and access requirements for records.

Code of Federal Regulations, 2010 CFR

2010-07-01

..., have the right of timely and unrestricted access to any books, documents, papers, or other records of... allocation plans, and any similar accounting computations of the rate at which a particular group of costs is... of the fiscal year (or other accounting period) covered by the proposal, plan, or other computation...

Examining Factors that Affect Performance in Complex Simulation Environments

ERIC Educational Resources Information Center

Mayrath, Michael Charles

2009-01-01

This study examined the effects of manipulating the modality (text-only, voice-only, voice+text) of a tutorial and restriction (restricted vs. unrestricted) of a simulation's interface on retention and transfer of tutorial content. The tutorial prepared novice students to use Packet Tracer, a simulation developed by Cisco that teaches network…

Long-Term Effects of Targeted Killings by Unmanned Aerial Vehicles

DTIC Science & Technology

2015-04-03

unrestricted submarine warfare culminated in the sinking of the RMS Lusitania in 1915 and forced the United States into World War I. News of the sinking was...was virtually on English soil and must expect to stand the consequences.”80 Germans supported the sinking, believing the RMS Lusitania was an

48 CFR 19.502-2 - Total small business set-asides.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 1 2012-10-01 2012-10-01 false Total small business set... SOCIOECONOMIC PROGRAMS SMALL BUSINESS PROGRAMS Set-Asides for Small Business 19.502-2 Total small business set... contracting officer does not proceed with the small business set-aside and purchases on an unrestricted basis...

48 CFR 19.502-2 - Total small business set-asides.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Total small business set... SOCIOECONOMIC PROGRAMS SMALL BUSINESS PROGRAMS Set-Asides for Small Business 19.502-2 Total small business set... contracting officer does not proceed with the small business set-aside and purchases on an unrestricted basis...

48 CFR 19.502-2 - Total small business set-asides.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Total small business set... SOCIOECONOMIC PROGRAMS SMALL BUSINESS PROGRAMS Set-Asides for Small Business 19.502-2 Total small business set... contracting officer does not proceed with the small business set-aside and purchases on an unrestricted basis...

Challenging Ideological Exclusion of Curriculum Material: Rights of Students and Parents.

ERIC Educational Resources Information Center

Stern, Nat

1979-01-01

Argues that, as a matter of constitutional law, public school boards of education do not possess unrestricted authority to exclude material from the curriculum on the basis of ideological content, and explores the rights of students and parents to challenge such exclusions. Available from Harvard Civil Rights-Civil Liberties Law Review, Harvard…

Physician specialty and the quality of medical care experiences in the context of the Taiwan national health insurance system.

PubMed

Tsai, Jenna; Shi, Leiyu; Yu, Wei-Lung; Hung, Li-Mei; Lebrun, Lydie A

2010-01-01

Based on a recent patient survey from Taiwan, where there is universal health insurance coverage and unrestricted physician choice, this study examined the relationship between physician specialty and the quality of primary medical care experiences. We assessed ambulatory patients' experiences with medical care using the Primary Care Assessment Tool, representing 7 primary care domains: first contact (ie, accessibility and utilization); longitudinality (ie, ongoing care); coordination (ie, referrals and information systems); comprehensiveness (ie, services available and provided); family centeredness; community orientation; and cultural competence. Having a primary care physician was significantly associated with patients reporting higher quality of primary care experiences. Specifically, relative to specialty care physicians, primary care physicians enhanced accessibility, achieved better community orientation and cultural competence, and provided more comprehensive services. In an area with universal health insurance and unrestricted physician choice, ambulatory patients of primary care physicians rated their medical care experiences as superior to those of patients of specialists. In addition to providing health insurance coverage, promoting primary care should be included as a health policy to improve patients' quality of ambulatory medical care experiences.

[Developmental centered care. Evaluation of Spanish neonatal units].

PubMed

Perapoch López, J; Pallás Alonso, C R; Linde Sillo, María A; Moral Pumarega, María T; Benito Castro, F; López Maestro, M; Caserío Carbonero, S; de la Cruz Bértolo, J

2006-02-01

Developmental and family centered care (DC) is a framework that aims to enhance the neurodevelopment of the infant. Over the last few years Spanish neonatal units have been working toward introducing this type of care. To evaluate DC in Spanish neonatal units by assessing certain features of the care provided to very low birth weight infants and their families. Spanish hospitals attending infants under 1,500 g were identified. A cross sectional study was performed using a telephone questionnaire with 25 DC-related items. Of the 100 hospitals attending infants under 1,500 g, 83 hospitals from all the Autonomous Communities in Spain participated in the survey. Of these, 31 % had noise pollution controls, 72 % controlled light intensity, 75 % bound the infants, and 29 % used saccharose as an analgesic. Ten percent allowed unrestricted parental visits. Twenty-two percent used kangaroo care without restriction. Sixty-three percent of the units reported difficulties when introducing DC-related changes. Practically all neonatal units have some type of DC activity, although in certain areas, such as unrestricted parental visits, the rate of implementation is low.

Human unrestricted somatic stem cells loaded in nanofibrous PCL scaffold and their healing effect on skin defects.

PubMed

Bahrami, Hoda; Keshel, Saeed Heidari; Chari, Aliakbar Jafari; Biazar, Esmaeil

2016-09-01

Unrestricted somatic stem cells (USSCs) loaded in nanofibrous polycaprolactone (PCL) scaffolds can be used for skin regeneration when grafted onto full-thickness skin defects of rats. Nanofibrous PCL scaffolds were designed by the electrospinning method and crosslinked with laminin protein. Afterwards, the scaffolds were evaluated by scanning electron microscopy, and physical and mechanical assays. In this study, nanofibrous PCL scaffolds loaded with USSCs were grafted onto the skin defects. The wounds were subsequently investigated 21 days after grafting. Results of mechanical and physical analyses showed good resilience and compliance to movement as a skin graft. In animal models; study samples exhibited the most pronounced effect on wound closure, with statistically significant improvement in wound healing being seen at 21 days post-operatively. Histological examinations of healed wounds from all samples showed a thin epidermis plus recovered skin appendages in the dermal layer for samples with cell. Thus, the graft of nanofibrous PCL scaffolds loaded with USSC showed better results during the healing process of skin defects in rat models.

Safety belt laws and disparities in safety belt use among US high-school drivers.

PubMed

García-España, J Felipe; Winston, Flaura K; Durbin, Dennis R

2012-06-01

We compared reported safety belt use, for both drivers and passengers, among teenagers with learner's permits, provisional licenses, and unrestricted licenses in states with primary or secondary enforcement of safety belt laws. Our data source was the 2006 National Young Driver Survey, which included a national representative sample of 3126 high-school drivers. We used multivariate, log-linear regression analyses to assess associations between safety belt laws and belt use. Teenaged drivers were 12% less likely to wear a safety belt as drivers and 15% less likely to wear one as passengers in states with a secondary safety belt law than in states with a primary law. The apparent reduction in belt use among teenagers as they progressed from learner to unrestricted license holder occurred in only secondary enforcement states. Groups reporting particularly low use included African American drivers, rural residents, academically challenged students, and those driving pickup trucks. The results provided further evidence for enactment of primary enforcement provisions in safety belt laws because primary laws are associated with higher safety belt use rates and lower crash-related injuries and mortality.

Performance characteristics and typical industrial applications of Selfshield® electron accelerators (< 300 kV)

NASA Astrophysics Data System (ADS)

Aaronson, Judith N.; Nablo, Sam V.

1985-05-01

Selfshielded electron accelerators have been successfully used in industry for more than ten years. One of the important advantages of these machines is their compactness for easy adaptation to conventional coating and product finishing machinery. It is equally important that these machines qualify for use under "unrestricted" conditions as specified by OSHA. The shielding and product handling configurations which make this unrestricted designation possible for operating voltages under 300 kV are discussed. Thin film dosimetry techniques used for the determination of the machine performance parameters are discussed along with the rotary scanner techniques employed for the dose rate studies which are important in the application of these processors. Paper and wood coatings, which are important industrial applications involving electron initiated polymerization, are reviewed. The sterilization and disinfestation applications are also discussed. The increasing concern of these industries for the more efficient use of energy and for compliance with more stringent pollution regulations, coupled with the novel processes this energy source makes possible, assure a bright future for this developing technology.

Ancestral trees for modeling stem cell lineages genetically rather than functionally: understanding mutation accumulation and distinguishing the restrictive cancer stem cell propagation theory and the unrestricted cell propagation theory of human tumorigenesis.

PubMed

Shibata, Darryl K; Kern, Scott E

2008-01-01

Cancer stem cells either could be rare or common in tumors, constituting the major distinction between the two fundamentally opposed theoretical models of tumor progression: A newer and restrictive stem cell propagation model, in which the stem cells are a small and special minority of the tumor cells, and a standard older model, an unrestricted cell proliferation theory, in which many or most tumor cells are capable of indefinite generations of cell division. Stem cells of tumors are difficult to quantitate using functional assays, and the validity of the most common assays is seriously questioned. Nonetheless, stem cells are an essential component of any tumorigenesis model. Alternative approaches to studying tumor stem cells should be explored. Cell populations can be conceived of as having a genealogy, a relationship of cells to their ancestral lineage, from the zygote to the adult cells or neoplasms. Models using ancestral trees thus offer an anatomic and genetic means to "observe" stem cells independent of artificial conditions. Ancestral trees broaden our attention backward along a lineage, to the zygote stage, and thereby add insight into how the mutations of tumors accumulate. It is possible that a large fraction of mutations in a tumor originate from normal, endogenous, replication errors (nearly all being passenger mutations) occurring prior to the emergence of the first transformed cell. Trees can be constructed from experimental measurements - molecular clocks - of real human tissues and tumors. Detailed analysis of single-cell methylation patterns, heritable yet slightly plastic, now can provide this information in the necessary depth. Trees based on observations of molecular clocks may help us to distinguish between competing theories regarding the proliferative properties among cells of actual human tumors, to observe subtle and difficult phenomena such as the extinction of stem lineages, and to address the origins and rates of mutations in various normal, hormone-stimulated, aging, or neoplastic tissues. The simple concept that cancers arise from the transformation of a normal stem cell, the stem cell origination theory, is sometimes superficially and confusingly referred to as "the stem cell theory". This concept is compatible with but not a requisite assumption for both of the major competing theories of tumor progression, and plays essentially no role in clarifying the nature of tumor progression.

The Effects of Sleep on Emotional Target Detection Performance: A Novel iPad-Based Pediatric Game

PubMed Central

Colonna, Annalisa; Smith, Anna B.; Smith, Stuart; VanDenEshof, Kirandeep; Orgill, Jane; Gringras, Paul; Pal, Deb K.

2018-01-01

Background: Consolidation of learning occurs during sleep but when it is disturbed there may be an adverse impact upon these functions. While research has focused upon how sleep affects cognition in adulthood, the effects of disrupted sleep are likely to impact more heavily on learning among children and adolescents. We aimed to investigate whether a night’s sleep impacts upon executive function compared with an equivalent wakefulness period. We also wanted to know whether restricting sleep would reduce these effects on performance. To investigate this issue in children, we adapted existing research methods to make them more suitable for this population. Methods: Using a cross-over trial design, 22 children aged 7–14 completed an updated but previously validated, continuous performance task (CPT) designed to be appealing to children, containing emotional and neutral targets and presented on an iPad. We measured omission and commission errors, mean and variability of reaction times (RTs) immediately and after a delay spent in the following three ways: 11-h intervals of unrestricted and restricted sleep in the style of a ‘sleepover’ and daytime wakefulness. We examined differences in immediate and delayed testing for each dependent variable. Both sleep nights were spent in a specialist sleep lab where polysomnography data were recorded. Results: While there were no significant main effects of sleep condition, as expected we observed significantly faster and more accurate performance in delayed compared with immediate testing across all conditions for omission errors, RT and variability of RT. Importantly, we saw a significant interaction for commission errors to emotional targets (p = 0.034): while they were comparable across all conditions during immediate testing, for delayed testing there were significantly more errors after wakefulness compared with unrestricted sleep (p = 0.019) and at a trend level for restricted sleep (p = 0.063). Performance improvement after restricted sleep was inversely correlated with sleep opportunity time (p = 0.03), total sleep time (p = 0.01) and total non-REM time (p = 0.005). Conclusion: This tool, designed to be simple to use and appealing to children, revealed a preserving effect of typical and disrupted sleep periods on performance during an emotionally themed target detection task compared with an equivalent wakefulness period. PMID:29563887

Self-Interaction Error in Density Functional Theory: An Appraisal.

PubMed

Bao, Junwei Lucas; Gagliardi, Laura; Truhlar, Donald G

2018-05-03

Self-interaction error (SIE) is considered to be one of the major sources of error in most approximate exchange-correlation functionals for Kohn-Sham density-functional theory (KS-DFT), and it is large with all local exchange-correlation functionals and with some hybrid functionals. In this work, we consider systems conventionally considered to be dominated by SIE. For these systems, we demonstrate that by using multiconfiguration pair-density functional theory (MC-PDFT), the error of a translated local density-functional approximation is significantly reduced (by a factor of 3) when using an MCSCF density and on-top density, as compared to using KS-DFT with the parent functional; the error in MC-PDFT with local on-top functionals is even lower than the error in some popular KS-DFT hybrid functionals. Density-functional theory, either in MC-PDFT form with local on-top functionals or in KS-DFT form with some functionals having 50% or more nonlocal exchange, has smaller errors for SIE-prone systems than does CASSCF, which has no SIE.

Three-Dimensional Simulations of Electron Beams Focused by Periodic Permanent Magnets

NASA Technical Reports Server (NTRS)

Kory, Carol L.

1999-01-01

A fully three-dimensional (3D) model of an electron beam focused by a periodic permanent magnet (PPM) stack has been developed. First, the simulation code MAFIA was used to model a PPM stack using the magnetostatic solver. The exact geometry of the magnetic focusing structure was modeled; thus, no approximations were made regarding the off-axis fields. The fields from the static solver were loaded into the 3D particle-in-cell (PIC) solver of MAFIA where fully 3D behavior of the beam was simulated in the magnetic focusing field. The PIC solver computes the time-integration of electromagnetic fields simultaneously with the time integration of the equations of motion of charged particles that move under the influence of those fields. Fields caused by those moving charges are also taken into account; thus, effects like space charge and magnetic forces between particles are fully simulated. The electron beam is simulated by a number of macro-particles. These macro-particles represent a given charge Q amounting to that of several million electrons in order to conserve computational time and memory. Particle motion is unrestricted, so particle trajectories can cross paths and move in three dimensions under the influence of 3D electric and magnetic fields. Correspondingly, there is no limit on the initial current density distribution of the electron beam, nor its density distribution at any time during the simulation. Simulation results including beam current density, percent ripple and percent transmission will be presented, and the effects current, magnetic focusing strength and thermal velocities have on beam behavior will be demonstrated using 3D movies showing the evolution of beam characteristics in time and space. Unlike typical beam optics models, this 3D model allows simulation of asymmetric designs such as non- circularly symmetric electrostatic or magnetic focusing as well as the inclusion of input/output couplers.

Permeability-diffusivity modeling vs. fractional anisotropy on white matter integrity assessment and application in schizophrenia.

PubMed

Kochunov, P; Chiappelli, J; Hong, L E

2013-01-01

Diffusion tensor imaging (DTI) assumes a single pool of anisotropically diffusing water to calculate fractional anisotropy (FA) and is commonly used to ascertain white matter (WM) deficits in schizophrenia. At higher b-values, diffusion-signal decay becomes bi-exponential, suggesting the presence of two, unrestricted and restricted, water pools. Theoretical work suggests that semi-permeable cellular membrane rather than the presence of two physical compartments is the cause. The permeability-diffusivity (PD) parameters measured from bi-exponential modeling may offer advantages, over traditional DTI-FA, in identifying WM deficits in schizophrenia. Imaging was performed in N = 26/26 patients/controls (age = 20-61 years, average age = 40.5 ± 12.6). Imaging consisted of fifteen b-shells: b = 250-3800 s/mm(2) with 30 directions/shell, covering seven slices of mid-sagittal corpus callosum (CC) at 1.7 × 1.7 × 4.6 mm. 64-direction DTI was also collected. Permeability-diffusivity-index (PDI), the ratio of restricted to unrestricted apparent diffusion coefficients, and the fraction of unrestricted compartment (Mu) were calculated for CC and cingulate gray matter (GM). FA values for CC were calculated using tract-based-spatial-statistics. Patients had significantly reduced PDI in CC (p ≅ 10(- 4)) and cingulate GM (p = 0.002), while differences in CC FA were modest (p ≅ .03). There was no group-related difference in Mu. Additional theoretical-modeling analysis suggested that reduced PDI in patients may be caused by reduced cross-membrane water molecule exchanges. PDI measurements for cerebral WM and GM yielded more robust patient-control differences than DTI-FA. Theoretical work offers an explanation that patient-control PDI differences should implicate abnormal active membrane permeability. This would implicate abnormal activities in ion-channels that use water as substrate for ion exchange, in cerebral tissues of schizophrenia patients.

Modulation of Intestinal Paracellular Transport by Bacterial Pathogens.

PubMed

Roxas, Jennifer Lising; Viswanathan, V K

2018-03-25

The passive and regulated movement of ions, solutes, and water via spaces between cells of the epithelial monolayer plays a critical role in the normal intestinal functioning. This paracellular pathway displays a high level of structural and functional specialization, with the membrane-spanning complexes of the tight junctions, adherens junctions, and desmosomes ensuring its integrity. Tight junction proteins, like occludin, tricellulin, and the claudin family isoforms, play prominent roles as barriers to unrestricted paracellular transport. The past decade has witnessed major advances in our understanding of the architecture and function of epithelial tight junctions. While it has been long appreciated that microbes, notably bacterial and viral pathogens, target and disrupt junctional complexes and alter paracellular permeability, the precise mechanisms remain to be defined. Notably, renewed efforts will be required to interpret the available data on pathogen-mediated barrier disruption in the context of the most recent findings on tight junction structure and function. While much of the focus has been on pathogen-induced dysregulation of junctional complexes, commensal microbiota and their products may influence paracellular permeability and contribute to the normal physiology of the gut. Finally, microbes and their products have become important tools in exploring host systems, including the junctional properties of epithelial cells. © 2018 American Physiological Society. Compr Physiol 8:823-842, 2018. Copyright © 2018 American Physiological Society. All rights reserved.

Density-functional theory for internal magnetic fields

NASA Astrophysics Data System (ADS)

Tellgren, Erik I.

2018-01-01

A density-functional theory is developed based on the Maxwell-Schrödinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and the total magnetic field, which can equivalently be represented as a physical current density. Hence, the theory can be regarded as a physical current density-functional theory and an alternative to the paramagnetic current density-functional theory due to Vignale and Rasolt. The energy functional has strong enough convexity properties to allow a formulation that generalizes Lieb's convex analysis formulation of standard density-functional theory. Several variational principles as well as a Hohenberg-Kohn-like mapping between potentials and ground-state densities follow from the underlying convex structure. Moreover, the energy functional can be regarded as the result of a standard approximation technique (Moreau-Yosida regularization) applied to the conventional Schrödinger ground-state energy, which imposes limits on the maximum curvature of the energy (with respect to the magnetic field) and enables construction of a (Fréchet) differentiable universal density functional.

[The theory of postmortem rigidity: the history and an original concept].

PubMed

Kil'diushov, E M; Tumanov, É V; Sokolova, Z Iu

2012-01-01

The original theory of postmortem rigidity has been developed and substantiated based on the concept of postmortem muscular contracture. It is postulated that the unrestricted growth of Ca2+ concentration in myoplasm of contractile cells during the immediate postmortal period brings the actin-myosine complex to the force generation state without subsequent relaxation.

48 CFR 519.7017 - Contract clauses.

Code of Federal Regulations, 2010 CFR

2010-10-01

... PROGRAMS SMALL BUSINESS PROGRAMS GSA Mentor-Protégé Program 519.7017 Contract clauses. (a) The contracting officer shall insert the clause at 552.219-75, GSA Mentor-Protégé Program, in all unrestricted... small business protégé. (b) The contracting officer shall insert the clause at 552.219-76, Mentor...

33 CFR Appendix B to Part 221 - Federal Energy Regulatory Commission Form L-3 (Revised October 1975)

Code of Federal Regulations, 2011 CFR

2011-07-01

... 33 Navigation and Navigable Waters 3 2011-07-01 2011-07-01 false Federal Energy Regulatory... 221—Federal Energy Regulatory Commission Form L-3 (Revised October 1975) terms and conditions of... officers or employees of the United States, showing proper credentials, free and unrestricted access to...

33 CFR Appendix B to Part 221 - Federal Energy Regulatory Commission Form L-3 (Revised October 1975)

Code of Federal Regulations, 2012 CFR

2012-07-01

... 33 Navigation and Navigable Waters 3 2012-07-01 2012-07-01 false Federal Energy Regulatory... 221—Federal Energy Regulatory Commission Form L-3 (Revised October 1975) terms and conditions of... officers or employees of the United States, showing proper credentials, free and unrestricted access to...

33 CFR Appendix B to Part 221 - Federal Energy Regulatory Commission Form L-3 (Revised October 1975)

Code of Federal Regulations, 2014 CFR

2014-07-01

... 33 Navigation and Navigable Waters 3 2014-07-01 2014-07-01 false Federal Energy Regulatory... 221—Federal Energy Regulatory Commission Form L-3 (Revised October 1975) terms and conditions of... officers or employees of the United States, showing proper credentials, free and unrestricted access to...

33 CFR Appendix B to Part 221 - Federal Energy Regulatory Commission Form L-3 (Revised October 1975)

Code of Federal Regulations, 2013 CFR

2013-07-01

... 33 Navigation and Navigable Waters 3 2013-07-01 2013-07-01 false Federal Energy Regulatory... 221—Federal Energy Regulatory Commission Form L-3 (Revised October 1975) terms and conditions of... officers or employees of the United States, showing proper credentials, free and unrestricted access to...

Tournament of Young Chemists in Ukraine: Engaging Students in Chemistry through a Role-Playing Game-Style Competition

ERIC Educational Resources Information Center

Svechkarev, Denis; Grygorovych, Oleksiy V.

2016-01-01

With more than 20 years of history, the Tournament of Young Chemists is an innovative, cross-disciplinary competition that promulgates the everyday life of scientists into the classrooms and on the contest stage. Original, open-type problems, unrestricted access to scientific data sources, and personal interaction with researchers from different…

Comparing Assessments of Students' Knowledge by Computerized Open-Ended and Multiple-Choice Tests.

ERIC Educational Resources Information Center

Anbar, Michael

1991-01-01

Interactive computerized tests accepting unrestricted natural-language input were used to assess knowledge of clinical biophysics at the State University of New York at Buffalo. Comparison of responses to open-ended sequential questions and multiple-choice questions on the same material found the two formats test different aspects of competence.…

Z/sub n/ Baxter model: Critical behavior

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

Tracy, C.A.

1986-07-01

The Z/sub n/ Baxter Model is an exactly solvable lattice model in the special case of the Belavin parametrization. We calculate the critical behavior of Prob/sub n/ (q = w/sup k/) using techniques developed in number theory in the study of the congruence properties of p(m), the number of unrestricted partitions of an integer m.

Working To Learn/Learning To Work: Secondary Education's Dilemma. Report No. 8.

ERIC Educational Resources Information Center

Martin, Pamela

Recognizing that unrestricted working conditions for 16- and 17-year-olds may disturb their ability to succeed academically, the Hawaii Legislative Reference Bureau conducted a study to explore the effects of minors' employment on the education they received and to determine if changing the state's child labor law would serve minors' educational…

Modeling predicts that redd trampling by cattle may contribute to population declines of native trout

Treesearch

Douglas P. Peterson; Bruce E. Rieman; Michael K. Young; James A. Brammer

2010-01-01

Unrestricted livestock grazing can degrade aquatic ecosystems, and its effects on native vertebrate species are generally mediated by changes to physical habitat. Recently, high estimated rates of cattle trampling on artificial redds within federal grazing allotments in southwestern Montana, USA, has raised concern that direct mortality from trampling may contribute to...

9 CFR 95.15 - Blood meal, blood albumin, intestines, and other animal byproducts for industrial use...

Code of Federal Regulations, 2010 CFR

2010-01-01

... 9 Animals and Animal Products 1 2010-01-01 2010-01-01 false Blood meal, blood albumin, intestines... BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE UNITED STATES § 95.15 Blood meal, blood albumin, intestines, and other animal byproducts for industrial use; requirements for unrestricted...

Bacillus Anthracis Spore Interactions with Mammalian Cells: Relationship Between Germination State and the Outcome of in Vitro Infections

DTIC Science & Technology

2011-02-28

unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Report Documentation Page Form ApprovedOMB... Peacock S, Belton FC: Observations on the prophylaxis of experimental pulmonary anthrax in the monkey. J Hyg (Lond) 1956, 54(1):28-36. 8. Cleret A

The Missing Piece: A Sociological Autopsy of Firearm Suicide in the United States

ERIC Educational Resources Information Center

Slater, Greta Yoder

2011-01-01

Social, economic, violence, political, and gun access predictors of suicide and gun suicide were examined via sociological autopsy. The model predicting suicide rates overall had the best results, X[superscript 2](9, N = 50) = 5.279 (CMIN, the goodness of fit statistic that represents the minimum discrepancy between the unrestricted sample…

Mobile Phone Use in a Pennsylvania Public High School: Does Policy Inform Practice?

ERIC Educational Resources Information Center

Thackara, Susan Tomchak

2014-01-01

Though many American educators embrace technology in classrooms, administrators can create policies that inhibit technology such as mobile phone use in classrooms or on district property. These policies range from restrictive with no mobile phone use permitted, to liberal in which unrestricted use of mobile phones is allowed. The purpose of this…

Plasma Amino Acids Profiles in Children with Autism: Potential Risk of Nutritional Deficiencies.

ERIC Educational Resources Information Center

Arnold, Georgianne L.; Hyman, Susan L.; Mooney, Robert A.; Kirby, Russell S.

2003-01-01

The plasma amino acid profiles of 10 children with autism on gluten and casein restricted diets and 26 on unrestricted diets were reviewed. There was a trend for the children on restricted diets to have an increased prevalence of essential amino acid deficiencies and lower plasma levels of essential acids. (Contains references.) (Author/CR)

9 CFR 95.7 - Wool, hair, and bristles; requirements for unrestricted entry.

Code of Federal Regulations, 2014 CFR

2014-01-01

... Mar. 4, 2014. For the convenience of the user, the added text is set forth as follows: § 95.7 Collagen derived from bovines. (a) The importation of collagen derived from bovines is prohibited because of BSE unless: (1) The collagen meets the requirements of either paragraph (b), (c), or (d), as well as the...

9 CFR 95.15 - Blood meal, blood albumin, intestines, and other animal byproducts for industrial use...

Code of Federal Regulations, 2013 CFR

2013-01-01

... 9 Animals and Animal Products 1 2013-01-01 2013-01-01 false Blood meal, blood albumin, intestines... BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE UNITED STATES § 95.15 Blood meal, blood albumin, intestines, and other animal byproducts for industrial use; requirements for unrestricted...

9 CFR 95.15 - Blood meal, blood albumin, intestines, and other animal byproducts for industrial use...

Code of Federal Regulations, 2011 CFR

2011-01-01

... 9 Animals and Animal Products 1 2011-01-01 2011-01-01 false Blood meal, blood albumin, intestines... BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE UNITED STATES § 95.15 Blood meal, blood albumin, intestines, and other animal byproducts for industrial use; requirements for unrestricted...

9 CFR 95.15 - Blood meal, blood albumin, intestines, and other animal byproducts for industrial use...

Code of Federal Regulations, 2012 CFR

2012-01-01

... 9 Animals and Animal Products 1 2012-01-01 2012-01-01 false Blood meal, blood albumin, intestines... BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE UNITED STATES § 95.15 Blood meal, blood albumin, intestines, and other animal byproducts for industrial use; requirements for unrestricted...

9 CFR 95.15 - Blood meal, blood albumin, intestines, and other animal byproducts for industrial use...

Code of Federal Regulations, 2014 CFR

2014-01-01

... 9 Animals and Animal Products 1 2014-01-01 2014-01-01 false Blood meal, blood albumin, intestines... BYPRODUCTS (EXCEPT CASINGS), AND HAY AND STRAW, OFFERED FOR ENTRY INTO THE UNITED STATES § 95.15 Blood meal, blood albumin, intestines, and other animal byproducts for industrial use; requirements for unrestricted...

76 FR 41450 - Notice of Request for Extension of a Currently Approved Information Collection

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-14

... approved information collection procedure for Sugar Import Licensing Programs described in 7 CFR part 1530... INFORMATION: Title: Sugar Imported for Export as Refined Sugar or as a Sugar- Containing Product, or used in... primary objective of the Sugar Import Licensing Program is to permit entry of raw cane sugar, unrestricted...

36 CFR 1234.10 - What are the facility requirements for all records storage facilities?

Code of Federal Regulations, 2011 CFR

2011-07-01

.../structural engineer that there are no obvious structural weaknesses that would indicate a high potential for... permit unrestricted access for emergency vehicles. (f) A floor load limit must be established for the..., etc. The allowable load limit must be posted in a conspicuous place and must not be exceeded. (g) The...

36 CFR 1234.10 - What are the facility requirements for all records storage facilities?

Code of Federal Regulations, 2010 CFR

2010-07-01

.../structural engineer that there are no obvious structural weaknesses that would indicate a high potential for... permit unrestricted access for emergency vehicles. (f) A floor load limit must be established for the..., etc. The allowable load limit must be posted in a conspicuous place and must not be exceeded. (g) The...

36 CFR § 1234.10 - What are the facility requirements for all records storage facilities?

Code of Federal Regulations, 2013 CFR

2013-07-01

.../structural engineer that there are no obvious structural weaknesses that would indicate a high potential for... permit unrestricted access for emergency vehicles. (f) A floor load limit must be established for the..., etc. The allowable load limit must be posted in a conspicuous place and must not be exceeded. (g) The...

36 CFR 1234.10 - What are the facility requirements for all records storage facilities?

Code of Federal Regulations, 2012 CFR

2012-07-01

.../structural engineer that there are no obvious structural weaknesses that would indicate a high potential for... permit unrestricted access for emergency vehicles. (f) A floor load limit must be established for the..., etc. The allowable load limit must be posted in a conspicuous place and must not be exceeded. (g) The...

77 FR 18270 - Acceptance Decision for the Unrestricted Use of the Former Michigan Chemical Company-Breckenridge...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-27

.... Louis plant generated a dense, clay-like waste known as ``filter cake,'' which contained elevated levels of uranium and thorium, two naturally- occurring radioactive materials. The radioactive filter cake was buried at the BDS. Burial of the filter cake at the BDS was permitted under AEC license number SMB...

The Influence of Perceived Convenience and Curiosity on Continuance Intention in Mobile English Learning for High School Students Using PDAs

ERIC Educational Resources Information Center

Chang, Chi-Cheng; Tseng, Kuo-Hung; Liang, Chaoyun; Yan, Chi-Fang

2013-01-01

Mobile learning aims to utilise communication devices such as mobile devices and wireless connection in combination with e-learning systems, allowing learners to experience convenient, instant and suitable learning at unrestricted time and place. Participants were 125 Taiwanese senior high school students, whose continuance intention was examined…

7 CFR 318.47-3 - Conditions governing the issuance of certificates and permits.

Code of Federal Regulations, 2012 CFR

2012-01-01

...) ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE STATE OF HAWAII AND TERRITORIES... origin in accordance with part 305 of this chapter and so certified, are allowed unrestricted movement to... covers will be allowed to move under permit, by all-water route, for entry only at the ports of Norfolk...

7 CFR 318.47-3 - Conditions governing the issuance of certificates and permits.

Code of Federal Regulations, 2013 CFR

2013-01-01

...) ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE STATE OF HAWAII AND TERRITORIES... origin in accordance with part 305 of this chapter and so certified, are allowed unrestricted movement to... covers will be allowed to move under permit, by all-water route, for entry only at the ports of Norfolk...

7 CFR 318.47-3 - Conditions governing the issuance of certificates and permits.

Code of Federal Regulations, 2014 CFR

2014-01-01

...) ANIMAL AND PLANT HEALTH INSPECTION SERVICE, DEPARTMENT OF AGRICULTURE STATE OF HAWAII AND TERRITORIES... origin in accordance with part 305 of this chapter and so certified, are allowed unrestricted movement to... covers will be allowed to move under permit, by all-water route, for entry only at the ports of Norfolk...

Cost Analysis and Overhead Charges at a Major Research University. AIR Forum 1982 Paper.

ERIC Educational Resources Information Center

Young, Michael E.; Geason, Ronald W.

The development of a cost allocation model at Ohio State University is discussed. The model was designed to measure the direct, indirect, and total operating costs of university operations and to recover general fund overhead costs associated with unrestricted general fund support of auxiliary enterprises and revenue-generating activities. The…

25 CFR 152.5 - Issuance of patent in fee.

Code of Federal Regulations, 2010 CFR

2010-04-01

... simple status. (2) Where the entire interest in the oil and gas granted by the act is after June 30, 1954... Indian or Indians were the grantees of the entire interest in the oil and gas underlying a parcel of land... Secretary will convey, by patent, without application, therefor, unrestricted fee simple title to the oil...

76 FR 44751 - Suspension of Entry of Aliens Subject to United Nations Security Council Travel Bans and...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-27

... immigrants or nonimmigrants, of aliens who are subject to United Nations Security Council travel bans as of... served by suspending the entry into the United States, as immigrants or nonimmigrants, of aliens whose... find that the unrestricted immigrant and nonimmigrant entry into the United States of persons described...

7 CFR 318.47-3 - Conditions governing the issuance of certificates and permits.

Code of Federal Regulations, 2011 CFR

2011-01-01

... origin in accordance with part 305 of this chapter and so certified, are allowed unrestricted movement to... have removed all seeds, or to have destroyed all insect life therein. (c) Cottonseed cake and meal. (1) Cottonseed cake and meal which have been inspected in the Territory or District of origin and certified by an...

Education under the Heel of Caesar: Reading UK Higher Education Reform through Shakespeare's "Antony and Cleopatra"

ERIC Educational Resources Information Center

Ward, Sophie

2012-01-01

UK higher education reform (BIS, ) has been presented as a common-sense movement towards efficiency. This article will argue that, in reality, the marketisation of higher education is a movement towards negative freedom, defined after Berlin (2007) as unrestricted choice. Using Shakespeare's "Antony and Cleopatra" as a means to explore…

Finance and the Aims of American Higher Education.

ERIC Educational Resources Information Center

Bowen, Howard R.

The American system of financing higher education is highly complex and has long included low tuition, unrestricted appropriations and gifts to institutions, and the use of grants to finance students. Proposals are now being made to raise tuition drastically as one way of meeting increasing costs. This would be a tragic step at a time when efforts…

Managing Communications with Experts in Geographically Distributed Collaborative Networks

DTIC Science & Technology

2009-03-01

agent architectures, and management of sensor-unmanned vehicle decision maker self organizing environments . Although CENETIX has its beginnings...understanding how everything in a complex system is interconnected. Additionally, environmental factors that impact the management of communications with...unrestricted warfare environment . In “Unconventional Insights for Managing Stakeholder Trust”, Pirson, et al. (2008) emphasizes the challenges of managing

The Foundation Handbook: A Private Foundation Approach to Fund Raising at State Colleges and Universities.

ERIC Educational Resources Information Center

Lemish, Donald L.

Guidelines for state colleges and universities who wish to use a foundation as an umbrella organization for receiving all private gifts, restricted and unrestricted, are presented. In examining the need for a foundation, attention should be directed to: establishing credibility, marshalling volunteers, providing for a mechanism for accepting life…

Beyond "Classroom" Technology: The Equipment Circulation Program at Rasmuson Library, University of Alaska Fairbanks

ERIC Educational Resources Information Center

Jensen, Karen

2008-01-01

The library at the University of Alaska Fairbanks offers a unique equipment lending program through its Circulation Desk. The program features a wide array of equipment types, generous circulation policies, and unrestricted borrowing, enabling students, staff, and faculty to experiment with the latest in audio, video, and computer technologies,…

Museums and Planetariums: Bridging the Gap between Hawaiian Culture and Astronomy through Informal Education--A Case Study

ERIC Educational Resources Information Center

Ciotti, Joseph E.

2010-01-01

Behavioral research supports informal education as fundamental to lifelong learning and responsible for much of what we know. Such learning occurs outside of formal schooling through venues such as the Internet, libraries, museums and planetariums. Unrestricted by the regulations of formal institutions, informal education can respond more quickly,…

To Be or Not to Be Gifted: The Choice for a New Generation

ERIC Educational Resources Information Center

Henfield, Malik S.; Washington, Ahmad R.; Owens, Delila

2010-01-01

The "Brown v. Board of Education" decision provided unrestricted access to educational opportunities for all students. Unfortunately, despite the passing of the 50th anniversary of this landmark decision, academic excellence remains a dream deferred for many Black students when compared to their peers. This disparity, more popularly known as the…

The Eyeful Power.

ERIC Educational Resources Information Center

Debes, John L., III

Intelligence Quotient (IQ) tests show that there is a rise in IQ measurement up to age 5 1/2, yet the IQ levels off and drops at age 8 1/2. The shift from unrestricted television viewing for preschoolers to the emphasis on verbal communication in school may be the cause. Visual languages within a symbolic system could be one method of…

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer.

PubMed

Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura

2015-08-11

The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

A note on the accuracy of KS-DFT densities

NASA Astrophysics Data System (ADS)

Ranasinghe, Duminda S.; Perera, Ajith; Bartlett, Rodney J.

2017-11-01

The accuracy of the density of wave function methods and Kohn-Sham (KS) density functionals is studied using moments of the density, ⟨rn ⟩ =∫ ρ (r )rnd τ =∫0∞4 π r2ρ (r ) rnd r ,where n =-1 ,-2,0,1,2 ,and 3 provides information about the short- and long-range behavior of the density. Coupled cluster (CC) singles, doubles, and perturbative triples (CCSD(T)) is considered as the reference density. Three test sets are considered: boron through neon neutral atoms, two and four electron cations, and 3d transition metals. The total density and valence only density are distinguished by dropping appropriate core orbitals. Among density functionals tested, CAMQTP00 and ωB97x show the least deviation for boron through neon neutral atoms. They also show accurate eigenvalues for the HOMO indicating that they should have a more correct long-range behavior for the density. For transition metals, some density functional approximations outperform some wave function methods, suggesting that the KS determinant could be a better starting point for some kinds of correlated calculations. By using generalized many-body perturbation theory (MBPT), the convergence of second-, third-, and fourth-order KS-MBPT for the density is addressed as it converges to the infinite-order coupled cluster result. For the transition metal test set, the deviations in the KS density functional theory methods depend on the amount of exact exchange the functional uses. Functionals with exact exchange close to 25% show smaller deviations from the CCSD(T) density.

Segmentation Algorithms for Detection of Targets in IR Imagery (Algorithmes de Segmentation pour la Detection de Cibles sur Images IR),

DTIC Science & Technology

1981-01-01

This fact being established, leptokurtic and platykurtic density functions are defined in terms of deviations from the normal density function. Thus...the usual definitions (Ref. 6) are: Leptokurtic - A density function that is peaked, K > 0, [18] and Platykurtic - A density function that is flat, K...has long Deen accepted that a symmetrical platykurtic density function, with K<O, is characterized by a flatter top and more abrupt terminals than the

Exposing and deposing hyper-economized school science

NASA Astrophysics Data System (ADS)

Bencze, John Lawrence

2010-06-01

Despite indications of the problematic nature of laissez faire capitalism, such as the convictions of corporate leaders and the global financial crisis that appeared to largely stem from a de-regulated financial services industry, it seems clear that societies and environments continue to be strongly influenced by hyper-economized worldviews and practices. Given the importance of societal acceptance of a potentially dominant ideological perspective, it is logical to assume that it would be critical for students to be prepared to function in niches prioritizing unrestricted for-profit commodity exchanges. Indeed, in their article in this issue, Lyn Carter and Ranjith Dediwalage appear to support this claim in their analyses of the large-scale and expensive Australian curriculum and instruction project, Sustainability by the Bay. More specifically, they effectively demonstrate that this project manifests several characteristics that would suggest neoliberal and neoconservative influences—ideological perspectives that they argue are largely fundamental to the functioning of the global economic system. In this forum article, possible adverse effects of neoliberalism and neoconservatism on school science are discussed—with further justification for Carter and Dediwalage's concerns. Additionally, however, this article raises the possibility of subverting neoliberalism and neoconservatism in science education through application of communitarian ideals.

Dynamic Structure Factor: An Introduction

NASA Astrophysics Data System (ADS)

Sturm, K.

1993-02-01

The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.

Comparing ab initio density-functional and wave function theories: the impact of correlation on the electronic density and the role of the correlation potential.

PubMed

Grabowski, Ireneusz; Teale, Andrew M; Śmiga, Szymon; Bartlett, Rodney J

2011-09-21

The framework of ab initio density-functional theory (DFT) has been introduced as a way to provide a seamless connection between the Kohn-Sham (KS) formulation of DFT and wave-function based ab initio approaches [R. J. Bartlett, I. Grabowski, S. Hirata, and S. Ivanov, J. Chem. Phys. 122, 034104 (2005)]. Recently, an analysis of the impact of dynamical correlation effects on the density of the neon atom was presented [K. Jankowski, K. Nowakowski, I. Grabowski, and J. Wasilewski, J. Chem. Phys. 130, 164102 (2009)], contrasting the behaviour for a variety of standard density functionals with that of ab initio approaches based on second-order Møller-Plesset (MP2) and coupled cluster theories at the singles-doubles (CCSD) and singles-doubles perturbative triples [CCSD(T)] levels. In the present work, we consider ab initio density functionals based on second-order many-body perturbation theory and coupled cluster perturbation theory in a similar manner, for a range of small atomic and molecular systems. For comparison, we also consider results obtained from MP2, CCSD, and CCSD(T) calculations. In addition to this density based analysis, we determine the KS correlation potentials corresponding to these densities and compare them with those obtained for a range of ab initio density functionals via the optimized effective potential method. The correlation energies, densities, and potentials calculated using ab initio DFT display a similar systematic behaviour to those derived from electronic densities calculated using ab initio wave function theories. In contrast, typical explicit density functionals for the correlation energy, such as VWN5 and LYP, do not show behaviour consistent with this picture of dynamical correlation, although they may provide some degree of correction for already erroneous explicitly density-dependent exchange-only functionals. The results presented here using orbital dependent ab initio density functionals show that they provide a treatment of exchange and correlation contributions within the KS framework that is more consistent with traditional ab initio wave function based methods.

Local and linear chemical reactivity response functions at finite temperature in density functional theory

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

Franco-Pérez, Marco, E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx; Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México, D.F. 09340; Ayers, Paul W., E-mail: francopj@mcmaster.ca, E-mail: ayers@mcmaster.ca, E-mail: jlgm@xanum.uam.mx, E-mail: avela@cinvestav.mx

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dualmore » descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.« less

Local and linear chemical reactivity response functions at finite temperature in density functional theory.

PubMed

Franco-Pérez, Marco; Ayers, Paul W; Gázquez, José L; Vela, Alberto

2015-12-28

We explore the local and nonlocal response functions of the grand canonical potential density functional at nonzero temperature. In analogy to the zero-temperature treatment, local (e.g., the average electron density and the local softness) and nonlocal (e.g., the softness kernel) intrinsic response functions are defined as partial derivatives of the grand canonical potential with respect to its thermodynamic variables (i.e., the chemical potential of the electron reservoir and the external potential generated by the atomic nuclei). To define the local and nonlocal response functions of the electron density (e.g., the Fukui function, the linear density response function, and the dual descriptor), we differentiate with respect to the average electron number and the external potential. The well-known mathematical relationships between the intrinsic response functions and the electron-density responses are generalized to nonzero temperature, and we prove that in the zero-temperature limit, our results recover well-known identities from the density functional theory of chemical reactivity. Specific working equations and numerical results are provided for the 3-state ensemble model.

Multiconfiguration pair-density functional theory: barrier heights and main group and transition metal energetics.

PubMed

Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura

2015-01-13

Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.

PvTFDB: a Phaseolus vulgaris transcription factors database for expediting functional genomics in legumes

PubMed Central

Bhawna; Bonthala, V.S.; Gajula, MNV Prasad

2016-01-01

The common bean [Phaseolus vulgaris (L.)] is one of the essential proteinaceous vegetables grown in developing countries. However, its production is challenged by low yields caused by numerous biotic and abiotic stress conditions. Regulatory transcription factors (TFs) symbolize a key component of the genome and are the most significant targets for producing stress tolerant crop and hence functional genomic studies of these TFs are important. Therefore, here we have constructed a web-accessible TFs database for P. vulgaris, called PvTFDB, which contains 2370 putative TF gene models in 49 TF families. This database provides a comprehensive information for each of the identified TF that includes sequence data, functional annotation, SSRs with their primer sets, protein physical properties, chromosomal location, phylogeny, tissue-specific gene expression data, orthologues, cis-regulatory elements and gene ontology (GO) assignment. Altogether, this information would be used in expediting the functional genomic studies of a specific TF(s) of interest. The objectives of this database are to understand functional genomics study of common bean TFs and recognize the regulatory mechanisms underlying various stress responses to ease breeding strategy for variety production through a couple of search interfaces including gene ID, functional annotation and browsing interfaces including by family and by chromosome. This database will also serve as a promising central repository for researchers as well as breeders who are working towards crop improvement of legume crops. In addition, this database provide the user unrestricted public access and the user can download entire data present in the database freely. Database URL: http://www.multiomics.in/PvTFDB/ PMID:27465131

X-ray absorption edge spectroscopy and computational studies on LCuO2 species: Superoxide-Cu(II) versus peroxide-Cu(III) bonding.

PubMed

Sarangi, Ritimukta; Aboelella, Nermeen; Fujisawa, Kiyoshi; Tolman, William B; Hedman, Britt; Hodgson, Keith O; Solomon, Edward I

2006-06-28

The geometric and electronic structures of two mononuclear CuO2 complexes, [Cu(O2){HB(3-Ad-5-(i)Prpz)3}] (1) and [Cu(O2)(beta-diketiminate)] (2), have been evaluated using Cu K- and L-edge X-ray absorption spectroscopy (XAS) studies in combination with valence bond configuration interaction (VBCI) simulations and spin-unrestricted broken symmetry density functional theory (DFT) calculations. Cu K- and L-edge XAS data indicate the Cu(II) and Cu(III) nature of 1 and 2, respectively. The total integrated intensity under the L-edges shows that the 's in 1 and 2 contain 20% and 28% Cu character, respectively, indicative of very covalent ground states in both complexes, although more so in 1. Two-state VBCI simulations also indicate that the ground state in 2 has more Cu (/3d8) character. DFT calculations show that the in both complexes is dominated by O2(n-) character, although the O2(n-) character is higher in 1. It is shown that the ligand L plays an important role in modulating Cu-O2 bonding in these LCuO2 systems and tunes the ground states of 1 and 2 to have dominant Cu(II)-superoxide-like and Cu(III)-peroxide-like character, respectively. The contributions of ligand field (LF) and the charge on the absorbing atom in the molecule (Q(mol)M) to L- and K-edge energy shifts are evaluated using DFT and time-dependent DFT calculations. It is found that LF makes a dominant contribution to the edge energy shift, while the effect of Q(mol)M is minor. The charge on the Cu in the Cu(III) complex is found to be similar to that in Cu(II) complexes, which indicates a much stronger interaction with the ligand, leading to extensive charge transfer.

A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

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

Raupach, Marc; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de

The development and first applications of a new periodic energy decomposition analysis (pEDA) scheme for extended systems based on the Kohn-Sham approach to density functional theory are described. The pEDA decomposes the bonding energy between two fragments (e.g., the adsorption energy of a molecule on a surface) into several well-defined terms: preparation, electrostatic, Pauli repulsion, and orbital relaxation energies. This is complemented by consideration of dispersion interactions via a pairwise scheme. One major extension toward a previous implementation [Philipsen and Baerends, J. Phys. Chem. B 110, 12470 (2006)] lies in the separate discussion of electrostatic and Pauli and the additionmore » of a dispersion term. The pEDA presented here for an implementation based on atomic orbitals can handle restricted and unrestricted fragments for 0D to 3D systems considering periodic boundary conditions with and without the determination of fragment occupations. For the latter case, reciprocal space sampling is enabled. The new method gives comparable results to established schemes for molecular systems and shows good convergence with respect to the basis set (TZ2P), the integration accuracy, and k-space sampling. Four typical bonding scenarios for surface-adsorbate complexes were chosen to highlight the performance of the method representing insulating (CO on MgO(001)), metallic (H{sub 2} on M(001), M = Pd, Cu), and semiconducting (CO and C{sub 2}H{sub 2} on Si(001)) substrates. These examples cover diverse substrates as well as bonding scenarios ranging from weakly interacting to covalent (shared electron and donor acceptor) bonding. The results presented lend confidence that the pEDA will be a powerful tool for the analysis of surface-adsorbate bonding in the future, enabling the transfer of concepts like ionic and covalent bonding, donor-acceptor interaction, steric repulsion, and others to extended systems.« less

Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

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

Chakrabarty, Aurab, E-mail: aurab.chakrabarty@qatar.tamu.edu; Bouhali, Othmane; Mousseau, Normand

Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structuralmore » defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from finite-size effects.« less

Hidden Sylvatic Foci of the Main Vector of Chagas Disease Triatoma infestans: Threats to the Vector Elimination Campaign?

PubMed Central

Schachter-Broide, Judith; Dujardin, Jean-Pierre; Dotson, Ellen M.; Kitron, Uriel; Gürtler, Ricardo E.

2011-01-01

Background Establishing the sources of reinfestation after residual insecticide spraying is crucial for vector elimination programs. Triatoma infestans, traditionally considered to be limited to domestic or peridomestic (abbreviated as D/PD) habitats throughout most of its range, is the target of an elimination program that has achieved limited success in the Gran Chaco region in South America. Methodology/Principal Findings During a two-year period we conducted semi-annual searches for triatomine bugs in every D/PD site and surrounding sylvatic habitats after full-coverage spraying of pyrethroid insecticides of all houses in a well-defined rural area in northwestern Argentina. We found six low-density sylvatic foci with 24 T. infestans in fallen or standing trees located 110–2,300 m from the nearest house or infested D/PD site detected after insecticide spraying, when house infestations were rare. Analysis of two mitochondrial gene fragments of 20 sylvatic specimens confirmed their species identity as T. infestans and showed that their composite haplotypes were the same as or closely related to D/PD haplotypes. Population studies with 10 polymorphic microsatellite loci and wing geometric morphometry consistently indicated the occurrence of unrestricted gene flow between local D/PD and sylvatic populations. Mitochondrial DNA and microsatellite sibship analyses in the most abundant sylvatic colony revealed descendents from five different females. Spatial analysis showed a significant association between two sylvatic foci and the nearest D/PD bug population found before insecticide spraying. Conclusions Our study shows that, despite of its high degree of domesticity, T. infestans has sylvatic colonies with normal chromatic characters (not melanic morphs) highly connected to D/PD conspecifics in the Argentinean Chaco. Sylvatic habitats may provide a transient or permanent refuge after control interventions, and function as sources for D/PD reinfestation. The occurrence of sylvatic foci of T. infestans in the Gran Chaco may pose additional threats to ongoing vector elimination efforts. PMID:22039559

Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface

NASA Astrophysics Data System (ADS)

Chakrabarty, Aurab; Bouhali, Othmane; Mousseau, Normand; Becquart, Charlotte S.; El-Mellouhi, Fedwa

2016-08-01

Adsorption and dissociation of hydrocarbons on metallic surfaces represent crucial steps on the path to carburization, eventually leading to dusting corrosion. While adsorption of CO molecules on Fe surface is a barrier-less exothermic process, this is not the case for the dissociation of CO into C and O adatoms and the diffusion of C beneath the surface that are found to be associated with large energy barriers. In practice, these barriers can be affected by numerous factors that combine to favour the CO-Fe reaction such as the abundance of CO and other hydrocarbons as well as the presence of structural defects. From a numerical point of view, studying these factors is challenging and a step-by-step approach is necessary to assess, in particular, the influence of the finite box size on the reaction parameters for adsorption and dissociation of CO on metal surfaces. Here, we use density functional theory (DFT) total energy calculations with the climbing-image nudged elastic band method to estimate the adsorption energies and dissociation barriers for different CO coverages with surface supercells of different sizes. We further compute the effect of periodic boundary condition for DFT calculations and find that the contribution from van der Waals interaction in the computation of adsorption parameters is important as they contribute to correcting the finite-size error in small systems. The dissociation process involves carbon insertion into the Fe surface causing a lattice deformation that requires a larger surface system for unrestricted relaxation. We show that, in the larger surface systems associated with dilute CO-coverages, C-insertion is energetically more favourable, leading to a significant decrease in the dissociation barrier. This observation suggests that a large surface system with dilute coverage is necessary for all similar metal-hydrocarbon reactions in order to study their fundamental electronic mechanisms, as an isolated phenomenon, free from finite-size effects.

Serologic evidence of canine parvovirus in domestic dogs, wild carnivores, and marsupials in the Argentinean Chaco.

PubMed

Orozco, María Marcela; Miccio, Luciano; Enriquez, Gustavo Fabián; Iribarren, Fabián Eduardo; Gürtler, Ricardo Esteban

2014-09-01

The transmission of pathogens between domestic dogs and generalist wildlife species may be modified by environmental degradation, biodiversity losses, host densities, and increased contact rates in remnant forest patches. A serologic survey of canine parvovirus (CPV) in rural domestic dogs and wild mammals was conducted in two neighboring rural areas (disturbed and protected) from Pampa del Indio, northeastern Argentina, between 2008 and 2011. A total of 174 domestic dogs and 26 wild mammals-4 crab-eating foxes (Cerdocyon thous), 3 crab-eating raccoons (Procyon cancrivorus), 17 white-eared opossums (Didelphis albiventris), and 2 gray four-eyed opossums (Philander opossum)-were examined for antibodies to CPV using a hemagglutination inhibition assay. Domestic dogs were numerous and their movements unrestricted. The main function of dogs differed significantly between areas, with more dogs used for herding or hunting around the protected area. The seroprevalence of antibodies to CPV in dogs from both areas was very high (93.9-94.6%) and increased steeply with age. Nearly all carnivores and marsupials showed high exposure to CPV. Although a higher exposure to CPV was expected in wild mammals from disturbed areas as a result of enhanced contact between dogs and wildlife, no significant differences were found between areas. To the authors' knowledge, this study is the first to document exposure to CPV of free-ranging Pr. cancrivorus, D. albiventris, and Ph. opossum, and include a detailed demographic study of the domestic dog populations living in the area. This study highlights that dogs and wildlife have potential opportunities for contact and shows that the edges of the protected area may be as suitable as other fragmented areas for the transmission of CPV. Rural domestic dogs may pose serious threats to the health and conservation of wild carnivores in both disturbed and protected areas, especially in the Gran Chaco, where habitat fragmentation is severely increasing.

17 CFR 232.312 - Accommodation for certain information in filings with respect to asset-backed securities.

Code of Federal Regulations, 2014 CFR

2014-04-01

... (§ 229.1105 of this chapter) may be provided under the following conditions on an Internet Web site for... Internet address where the information is posted. (2) Such information shall be provided through the Web site unrestricted as to access and free of charge. (3) Such information shall remain available on the...

17 CFR 232.312 - Accommodation for certain information in filings with respect to asset-backed securities.

Code of Federal Regulations, 2012 CFR

2012-04-01

... (§ 229.1105 of this chapter) may be provided under the following conditions on an Internet Web site for... Internet address where the information is posted. (2) Such information shall be provided through the Web site unrestricted as to access and free of charge. (3) Such information shall remain available on the...

17 CFR 232.312 - Accommodation for certain information in filings with respect to asset-backed securities.

Code of Federal Regulations, 2010 CFR

2010-04-01

... (§ 229.1105 of this chapter) may be provided under the following conditions on an Internet Web site for... Internet address where the information is posted. (2) Such information shall be provided through the Web site unrestricted as to access and free of charge. (3) Such information shall remain available on the...

17 CFR 232.312 - Accommodation for certain information in filings with respect to asset-backed securities.

Code of Federal Regulations, 2013 CFR

2013-04-01

... (§ 229.1105 of this chapter) may be provided under the following conditions on an Internet Web site for... Internet address where the information is posted. (2) Such information shall be provided through the Web site unrestricted as to access and free of charge. (3) Such information shall remain available on the...

17 CFR 232.312 - Accommodation for certain information in filings with respect to asset-backed securities.

Code of Federal Regulations, 2011 CFR

2011-04-01

... (§ 229.1105 of this chapter) may be provided under the following conditions on an Internet Web site for... Internet address where the information is posted. (2) Such information shall be provided through the Web site unrestricted as to access and free of charge. (3) Such information shall remain available on the...

44 CFR 402.4 - Calls at restricted ports en route to an unrestricted port with restricted cargo.

Code of Federal Regulations, 2012 CFR

2012-10-01

... port or other place in Communist China.) For example, an American flag ship may call at one of the restricted ports (except one in Communist China), even though it has on board the following classes of... for Communist China (the transportation and discharge of which is covered by Order T-2). None of these...

44 CFR 402.4 - Calls at restricted ports en route to an unrestricted port with restricted cargo.

Code of Federal Regulations, 2013 CFR

2013-10-01

... port or other place in Communist China.) For example, an American flag ship may call at one of the restricted ports (except one in Communist China), even though it has on board the following classes of... for Communist China (the transportation and discharge of which is covered by Order T-2). None of these...

44 CFR 402.4 - Calls at restricted ports en route to an unrestricted port with restricted cargo.

Code of Federal Regulations, 2014 CFR

2014-10-01

... port or other place in Communist China.) For example, an American flag ship may call at one of the restricted ports (except one in Communist China), even though it has on board the following classes of... for Communist China (the transportation and discharge of which is covered by Order T-2). None of these...

Analysis of SSN 688 Class Submarine Maintenance Delays

DTIC Science & Technology

2017-06-01

Simplified Notional Submarine FRP (Independent Deployer) ..................11  Figure 8.  Evolution of Los Angeles Class Submarine Notional...Number TFP Technical Foundation Paper URO Unrestricted Operations xv ACKNOWLEDGMENTS I would like to thank my lead advisor, Professor Nick Dew...only on Los Angeles (SSN 688)-class submarines. Being the higher quantity and older generation submarine hull type, the Los Angeles class submarine

44 CFR 402.4 - Calls at restricted ports en route to an unrestricted port with restricted cargo.

Code of Federal Regulations, 2010 CFR

2010-10-01

... port or other place in Communist China.) For example, an American flag ship may call at one of the restricted ports (except one in Communist China), even though it has on board the following classes of... for Communist China (the transportation and discharge of which is covered by Order T-2). None of these...

44 CFR 402.4 - Calls at restricted ports en route to an unrestricted port with restricted cargo.

Code of Federal Regulations, 2011 CFR

2011-10-01

... port or other place in Communist China.) For example, an American flag ship may call at one of the restricted ports (except one in Communist China), even though it has on board the following classes of... for Communist China (the transportation and discharge of which is covered by Order T-2). None of these...

The 1980 Survey of Certain Unrestricted Line Officers of the Navy Regarding Their Reassignment to a New Position.

DTIC Science & Technology

1981-04-01

variables resulting from the survey and their location on an SPSS system file are documented in a user-oriented codebook. Free responses to an open...and added expense), anguish in transfer of family. (3) The Navy cannot afford to treat people like cattle. If I could have re- signed without a six

Unrestricted Territory: Gender, Two Spirits, and Louise Erdrich's "The Last Report on the Miracles at Little No Horse"

ERIC Educational Resources Information Center

Keenan, Deirdre

2006-01-01

In this article, the author examines Louise Erdrich's representation of Father Damien in "The Last Report on the Miracles at Little No Horse" in the context of mainstream attitudes about transgender identities and Native American gender systems. In this context, Erdrich's novel provides a theory and practice of gender identity formation that…

Implementation of Strategies to Address the Fiscal Impacts of Declining Enrollment on School Resources: An Evaluation Study

ERIC Educational Resources Information Center

Root, Jennifer I.

2017-01-01

The purpose of this study was to evaluate the degree to which Herren Joint Union School District (HJUSD) was meeting its organizational performance goal of creating and implementing a balanced unrestricted general fund budget for the current year and 2 subsequent years. The study was built foundationally using the Clark and Estes (2008) gap…

Guia Legal para Ciudadanos Envejeciente: Leyes y Programas Afectando los Ciudadanos Envejeciente de Kansas. (Legal Guide for Senior Citizens: Laws and Programs Affecting Kansas Senior Citizens).

ERIC Educational Resources Information Center

Hollinger, Judith A.

This booklet, translated into Spanish, is intended to inform (not advise) older Kansans about eligibility requirements and benefits provided by state and federal programs. Financial assistance programs discussed are Social Security, railroad retirements, veterans' benefits, unrestricted general assistance, Employee Retirement Income Security Act,…

Fire and chaparral management at the chaparral/urban interface

Treesearch

Philip J. Riggan; Scott Franklin; James A. Brass

1986-01-01

The historic Bel Air fire of 1961 was not unusually large or fast-moving, nor was it a disaster for the native chaparral ecosystem. Yet it was disastrous for residents of the area, a consequence of unrestricted urban development in the chaparral of Southern California. Its costs included human suffering and financial loss from the destruction of 484 of 2,300 homes....

Software design and documentation language

NASA Technical Reports Server (NTRS)

Kleine, H.

1977-01-01

A communications medium to support the design and documentation of complex software applications is studied. The medium also provides the following: (1) a processor which can convert design specifications into an intelligible, informative machine reproducible document; (2) a design and documentation language with forms and syntax that are simple, unrestrictive, and communicative; and (3) methodology for effective use of the language and processor.

Aptamer-based turn-on fluorescent four-branched quaternary ammonium pyrazine probe for selective thrombin detection.

PubMed

Yan, Shengyong; Huang, Rong; Zhou, Yangyang; Zhang, Ming; Deng, Minggang; Wang, Xiaolin; Weng, Xiaocheng; Zhou, Xiang

2011-01-28

In this thrombin detection system, the bright fluorescence of TASPI is almost eliminated by the DNA aptamer TBA (turn-off); however, in the presence of thrombin, it specifically binds to TBA by folding unrestricted TBA into an anti-parallel G-quadruplex structure and then releasing TASPI molecules, resulting in vivid and facile fluorescence recovery (turn-on).

26 CFR 1.337(d)-6 - New transitional rules imposing tax on property owned by a C corporation that becomes property of...

Code of Federal Regulations, 2010 CFR

2010-04-01

... has an unrestricted net operating loss carryforward of $12,000 and accumulated earnings and profits of... 26 Internal Revenue 4 2010-04-01 2010-04-01 false New transitional rules imposing tax on property... Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME...

Safety Belt Laws and Disparities in Safety Belt Use Among US High-School Drivers

PubMed Central

Winston, Flaura K.; Durbin, Dennis R.

2012-01-01

Objectives. We compared reported safety belt use, for both drivers and passengers, among teenagers with learner’s permits, provisional licenses, and unrestricted licenses in states with primary or secondary enforcement of safety belt laws. Methods. Our data source was the 2006 National Young Driver Survey, which included a national representative sample of 3126 high-school drivers. We used multivariate, log-linear regression analyses to assess associations between safety belt laws and belt use. Results. Teenaged drivers were 12% less likely to wear a safety belt as drivers and 15% less likely to wear one as passengers in states with a secondary safety belt law than in states with a primary law. The apparent reduction in belt use among teenagers as they progressed from learner to unrestricted license holder occurred in only secondary enforcement states. Groups reporting particularly low use included African American drivers, rural residents, academically challenged students, and those driving pickup trucks. Conclusions. The results provided further evidence for enactment of primary enforcement provisions in safety belt laws because primary laws are associated with higher safety belt use rates and lower crash-related injuries and mortality. PMID:22515851

Recovery of Psychological Readiness May Differ Between Genders Following ACL Reconstruction in Adolescent Athletes

PubMed Central

Milewski, Matthew David; Kostyun, Regina; Iannicelli, Julie P.; Kostyun, Kyle J.; Solomito, Matthew; Nissen, Carl W.

2016-01-01

Objectives: Injury to the anterior cruciate ligament (ACL) is a traumatic and emotional event for adolescent athletes. Preparation to return to play (RTP) and the potential risk of re-injury are often equally as emotional as the injury, and have been identified as possible limiting factors to a successful rehabilitation and RTP. In order to create a comprehensive rehabilitation model, further understanding of psychological readiness following surgical intervention is needed. The purpose of this study was to determine if clinical outcomes of subjective knee function and psychological readiness differ between genders following ACL reconstruction surgery in adolescent athletes, and if higher knee function and physiological readiness was associated with an earlier to RTP. Methods: Athletes who underwent ACL reconstruction surgery and were successfully returned back to unrestricted sport were included in the analysis. At approximately six months post surgery, knee function was assessed using the validated International Knee Documentation Committee (IKDC) Subjective Form, and psychological readiness was assessed using the validated ACL-Return to Sport after Injury (ACL-RSI) scale. Formal clearance to resume unrestricted sport was obtained from clinic notes. A T-test was used to determine if demographics, IKDC and ACL-RSI scores between genders. A mixed effects random intercept regression model was used to determine the association of time to RTP with IKDC and ACL-RSI scores. Results: A total of 45 adolescent athletes (23 females) were included in this analysis. No significant differences were found between males and females for age (16.2±1.5 years, 16.3±2.2 years) and average time to RTP (7.3±2.0 months, 7.3±1.8 months). No significant differences in IKDC scores were found between males and females (88±10%, 87±10%). A trend was identified that males demonstrated higher ACL-RSI scores at six month post surgery than females (81±14%, 72±17%, p = 0.063). In females, higher IKDC scores (p=0.013, Ɓ =-0.09) and higher ACL-RSI scores (p = 0.002, Ɓ = -0.06) were associated with an earlier time to RTP. This association was not found in male athletes. Conclusion: Although both genders felt their knee would function well during sport at approximately six months following ACL reconstruction, male athletes seem to demonstrate an overall stronger psychological readiness to RTP. However, better scores on the ACL-RSI and IKDC were associated with an earlier RTP only in female athletes. The results of this study suggest a difference in the psychological readiness to RTP between male and female adolescent athletes approximately six months following ACL reconstruction. Further investigations are warranted to investigate the psychological hurdles that face each gender when trying to RTP following an ACL injury. A better understanding of these emotional limitations could help to clinically identify patients that may benefit from counseling.

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

PubMed

Reimann, Sarah; Borgoo, Alex; Tellgren, Erik I; Teale, Andrew M; Helgaker, Trygve

2017-09-12

We study the effects of magnetic fields in the context of magnetic field density-functional theory (BDFT), where the energy is a functional of the electron density ρ and the magnetic field B. We show that this approach is a worthwhile alternative to current-density functional theory (CDFT) and may provide a viable route to the study of many magnetic phenomena using density-functional theory (DFT). The relationship between BDFT and CDFT is developed and clarified within the framework of the four-way correspondence of saddle functions and their convex and concave parents in convex analysis. By decomposing the energy into its Kohn-Sham components, we demonstrate that the magnetizability is mainly determined by those energy components that are related to the density. For existing density functional approximations, this implies that, for the magnetizability, improvements of the density will be more beneficial than introducing a magnetic-field dependence in the correlation functional. However, once a good charge density is achieved, we show that high accuracy is likely only obtainable by including magnetic-field dependence. We demonstrate that adiabatic-connection (AC) curves at different field strengths resemble one another closely provided each curve is calculated at the equilibrium geometry of that field strength. In contrast, if all AC curves are calculated at the equilibrium geometry of the field-free system, then the curves change strongly with increasing field strength due to the increasing importance of static correlation. This holds also for density functional approximations, for which we demonstrate that the main error encountered in the presence of a field is already present at zero field strength, indicating that density-functional approximations may be applied to systems in strong fields, without the need to treat additional static correlation.

Electronic Structure of Ethynyl Substituted Cyclobutadienes

NASA Astrophysics Data System (ADS)

Emmert, Frank Lee Emmert, III; Thompson, Stephanie J.; Slipchenko, Lyudmila V.

2011-06-01

We investigated the effects of ethynyl substitution on the electronic structure of cyclobutadiene. These species are involved in Bergman Cyclization reactionsand are possible intermediates in the formation of fullerenes and graphite sheets. Prediction of the electronic energy of cyclobutadiene is challenging for single-reference ab initio methods such as HF, MP2 or DFT because of Jahn-Teller distortions and the diradical character of the singlet state. We determined the vertical and adiabatic singlet-triplet energy splittings, the natural charges and spin densities in substituted cyclobutadienes, using the equations of motion spin flip coupled cluster with single and double excitations (EOM-SF-CCSD) method that accurately describes diradical states. The adiabatic singlet-triplet gaps decrease upon substituent addition, but the singlet state is always lower in energy. However, we found that the results are affected by spin-contamination of the reference state and deteriorate when an unrestricted HF reference is employed. O. L. Chapman, C. L. McIntosh, J. Pacansky, "Cyclobutadiene" J. Am. Chem. Soc. 1973, 95, (2), 614-617. N. S. Goroff, "Mechanism of Fullerene Formation." Acc. Chem. Res. 1996, 29, (2), 77-83. L.V. Slipchenko and A.I. Krylov, "Singlet-triplet gaps in diradicals by the Spin-Flip approach: A benchmark study", J. Chem. Phys. 2002, 117, 4694-4708.

Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation.

PubMed

Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura

2016-02-04

A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.

On the use of the noncentral chi-square density function for the distribution of helicopter spectral estimates

NASA Technical Reports Server (NTRS)

Garber, Donald P.

1993-01-01

A probability density function for the variability of ensemble averaged spectral estimates from helicopter acoustic signals in Gaussian background noise was evaluated. Numerical methods for calculating the density function and for determining confidence limits were explored. Density functions were predicted for both synthesized and experimental data and compared with observed spectral estimate variability.

Stretched hydrogen molecule from a constrained-search density-functional perspective

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

Valone, Steven M; Levy, Mel

2009-01-01

Constrained-search density functional theory gives valuable insights into the fundamentals of density functional theory. It provides exact results and bounds on the ground- and excited-state density functionals. An important advantage of the theory is that it gives guidance in the construction of functionals. Here they engage constrained search theory to explore issues associated with the functional behavior of 'stretched bonds' in molecular hydrogen. A constrained search is performed with familiar valence bond wavefunctions ordinarily used to describe molecular hydrogen. The effective, one-electron hamiltonian is computed and compared to the corresponding uncorrelated, Hartree-Fock effective hamiltonian. Analysis of the functional suggests themore » need to construct different functionals for the same density and to allow a competition among these functions. As a result the correlation energy functional is composed explicitly of energy gaps from the different functionals.« less

The EBI Search engine: providing search and retrieval functionality for biological data from EMBL-EBI.

PubMed

Squizzato, Silvano; Park, Young Mi; Buso, Nicola; Gur, Tamer; Cowley, Andrew; Li, Weizhong; Uludag, Mahmut; Pundir, Sangya; Cham, Jennifer A; McWilliam, Hamish; Lopez, Rodrigo

2015-07-01

The European Bioinformatics Institute (EMBL-EBI-https://www.ebi.ac.uk) provides free and unrestricted access to data across all major areas of biology and biomedicine. Searching and extracting knowledge across these domains requires a fast and scalable solution that addresses the requirements of domain experts as well as casual users. We present the EBI Search engine, referred to here as 'EBI Search', an easy-to-use fast text search and indexing system with powerful data navigation and retrieval capabilities. API integration provides access to analytical tools, allowing users to further investigate the results of their search. The interconnectivity that exists between data resources at EMBL-EBI provides easy, quick and precise navigation and a better understanding of the relationship between different data types including sequences, genes, gene products, proteins, protein domains, protein families, enzymes and macromolecular structures, together with relevant life science literature. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

The relationship between sociosexuality and aspects of body image in men and women: a structural equation modeling approach.

PubMed

Rammsayer, Thomas H; Troche, Stefan J

2013-10-01

The present study investigated the association between individual differences in sociosexual orientation and four aspects of body image in 156 male and 136 female students. While men were characterized by a less restricted sociosexual orientation, higher self-perceived physical attractiveness, and more pronounced self-rated physical assertiveness, women placed more emphasis on accentuation of body presentation. Structural equation modeling revealed significant positive relationships between sociosexual attitudes and physical attractiveness and accentuation of body presentation as well as between sociosexual behavior and physical attractiveness for the total sample. When introducing sex as a grouping variable, the attitudinal and behavioral components of sociosexuality were reliably related to both physical attractiveness and accentuation of body presentation as two aspects of body image in men, but not in women. Furthermore, our findings suggest that accentuation of body presentation represents a goal-directed behavior in men to increase the likelihood of having uncommitted sex but serves additional functions widely unrelated to unrestrictive sociosexual behavior in women.

Attractors for non-dissipative irrotational von Karman plates with boundary damping

NASA Astrophysics Data System (ADS)

Bociu, Lorena; Toundykov, Daniel

Long-time behavior of solutions to a von Karman plate equation is considered. The system has an unrestricted first-order perturbation and a nonlinear damping acting through free boundary conditions only. This model differs from those previously considered (e.g. in the extensive treatise (Chueshov and Lasiecka, 2010 [11])) because the semi-flow may be of a non-gradient type: the unique continuation property is not known to hold, and there is no strict Lyapunov function on the natural finite-energy space. Consequently, global bounds on the energy, let alone the existence of an absorbing ball, cannot be a priori inferred. Moreover, the free boundary conditions are not recognized by weak solutions and some helpful estimates available for clamped, hinged or simply-supported plates cannot be invoked. It is shown that this non-monotone flow can converge to a global compact attractor with the help of viscous boundary damping and appropriately structured restoring forces acting only on the boundary or its collar.

Late dislocation of rotating platform in New Jersey Low-Contact Stress knee prosthesis.

PubMed

Huang, Chun-Hsiung; Ma, Hon-Ming; Liau, Jiann-Jong; Ho, Fang-Yuan; Cheng, Cheng-Kung

2002-12-01

Five patients with late rotational dislocation of the rotating platform bearing in the New Jersey Low-Contact Stress total knee arthroplasty are reported. The prostheses had functioned well for 8 to 12 years before failure. Preoperative radiographs showed asymmetric femorotibial joint spaces. Entrapment of the dislocated bearing in three patients and spontaneous reduction of the dislocated bearing in another two patients were seen at revision. Femorotibial ligamentous instability was found after reduction. The retrieved polyethylene bearings showed advanced wear and cold flow deformities and the thickness was reduced. The revision arthroplasty was accomplished by replacement with a thicker bearing element. Progressive femorotibial ligament laxity and reduction of the thickness of polyethylene with wearing break down the originally well-balanced soft tissue tension of the knee. The rotational degree of the rotating platform bearing is unrestricted, which may result in late dislocation. Polyethylene wear is unavoidable in knee prostheses using metal contact with polyethylene even with a mobile-bearing design. Efforts to reduce polyethylene wear are mandatory.

Active Space Dependence in Multiconfiguration Pair-Density Functional Theory.

PubMed

Sharma, Prachi; Truhlar, Donald G; Gagliardi, Laura

2018-02-13

In multiconfiguration pair-density functional theory (MC-PDFT), multiconfiguration self-consistent-field calculations and on-top density functionals are combined to describe both static and dynamic correlation. Here, we investigate how the MC-PDFT total energy and its components depend on the active space choice in the case of the H 2 and N 2 molecules. The active space dependence of the on-top pair density, the total density, the ratio of on-top pair density to half the square of the electron density, and the satisfaction of the virial theorem are also explored. We find that the density and on-top pair density do not change significantly with changes in the active space. However, the on-top ratio does change significantly with respect to active space change, and this affects the on-top energy. This study provides a foundation for designing on-top density functionals and automatizing the active space choice in MC-PDFT.

RBoost: Label Noise-Robust Boosting Algorithm Based on a Nonconvex Loss Function and the Numerically Stable Base Learners.

PubMed

Miao, Qiguang; Cao, Ying; Xia, Ge; Gong, Maoguo; Liu, Jiachen; Song, Jianfeng

2016-11-01

AdaBoost has attracted much attention in the machine learning community because of its excellent performance in combining weak classifiers into strong classifiers. However, AdaBoost tends to overfit to the noisy data in many applications. Accordingly, improving the antinoise ability of AdaBoost plays an important role in many applications. The sensitiveness to the noisy data of AdaBoost stems from the exponential loss function, which puts unrestricted penalties to the misclassified samples with very large margins. In this paper, we propose two boosting algorithms, referred to as RBoost1 and RBoost2, which are more robust to the noisy data compared with AdaBoost. RBoost1 and RBoost2 optimize a nonconvex loss function of the classification margin. Because the penalties to the misclassified samples are restricted to an amount less than one, RBoost1 and RBoost2 do not overfocus on the samples that are always misclassified by the previous base learners. Besides the loss function, at each boosting iteration, RBoost1 and RBoost2 use numerically stable ways to compute the base learners. These two improvements contribute to the robustness of the proposed algorithms to the noisy training and testing samples. Experimental results on the synthetic Gaussian data set, the UCI data sets, and a real malware behavior data set illustrate that the proposed RBoost1 and RBoost2 algorithms perform better when the training data sets contain noisy data.

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

HALE UAS Concept of Operations. Version 3.0

NASA Technical Reports Server (NTRS)

2006-01-01

This document is a system level Concept of Operations (CONOPS) from the perspective of future High Altitude Long Endurance (HALE) Unmanned Aircraft Systems (UAS) service providers and National Airspace System (NAS) users. It describes current systems (existing UAS), describes HALE UAS functions and operations to be performed (via sample missions), and offers insight into the user s environment (i.e., the UAS as a system of systems). It is intended to be a source document for NAS UAS operational requirements, and provides a construct for government agencies to use in guiding their regulatory decisions, architecture requirements, and investment strategies. Although it does not describe the technical capabilities of a specific HALE UAS system (which do, and will vary widely), it is intended to aid in requirements capture and to be used as input to the functional requirements and analysis process. The document provides a basis for development of functional requirements and operational guidelines to achieve unrestricted access into the NAS. This document is an FY06 update to the FY05 Access 5 Project-approved Concept of Operations document previously published in the Public Domain on the Access 5 open website. This version is recommended to be approved for public release also. The updates are a reorganization of materials from the previous version with the addition of an updated set of operational requirements, inclusion of sample mission scenarios, and identification of roles and responsibilities of interfaces within flight phases.

Spin–orbit DFT with Analytic Gradients and Applications to Heavy Element Compounds

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

Zhang, Zhiyong

We have implemented the unrestricted DFT approach with one-electron spin–orbit operators in the massively parallel NWChem program. Also implemented is the analytic gradient in the DFT approach with spin–orbit interactions. The current capabilities include single-point calculations and geometry optimization. Vibrational frequencies can be calculated numerically from the analytically calculated gradients. The implementation is based on the spin–orbit interaction operator derived from the effective core potential approach. The exchange functionals used in the implementation are functionals derived for non-spin–orbit calculations, including GGA as well as hybrid functionals. Spin–orbit Hartree–Fock calculations can also be carried out. We have applied the spin–orbit DFTmore » methods to the Uranyl aqua complexes. We have optimized the structures and calculated the vibrational frequencies of both (UO2 2+)aq and (UO2 +)aq with and without spin–orbit effects. The effects of the spin–orbit interaction on the structures and frequencies of these two complexes are discussed. We also carried out calculations for Th2, and several low-lying electronic states are calculated. Our results indicate that, for open-shell systems, there are significant effects due to the spin–orbit effects and the electronic configurations with and without spin–orbit interactions could change due to the occupation of orbitals of larger spin–orbit interactions.« less

Combining Density Functional Theory and Green's Function Theory: Range-Separated, Nonlocal, Dynamic, and Orbital-Dependent Hybrid Functional.

PubMed

Kananenka, Alexei A; Zgid, Dominika

2017-11-14

We present a rigorous framework which combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short- and long-range components. Short-range contribution to the total energy and exchange-correlation potential is provided by a density functional approximation, while the long-range contribution is calculated using an explicit many-body Green's function method. Such a hybrid results in a nonlocal, dynamic, and orbital-dependent exchange-correlation functional of a single-particle Green's function. In particular, we present a range-separated hybrid functional called srSVWN5-lrGF2 which combines the local-density approximation and the second-order Green's function theory. We illustrate that similarly to density functional approximations, the new functional is weakly basis-set dependent. Furthermore, it offers an improved description of the short-range dynamic correlation. The many-body contribution to the functional mitigates the many-electron self-interaction error present in many density functional approximations and provides a better description of molecular properties. Additionally, we illustrate that the new functional can be used to scale down the self-energy and, therefore, introduce an additional sparsity to the self-energy matrix that in the future can be exploited in calculations for large molecules or periodic systems.

Exact conditions on the temperature dependence of density functionals

DOE PAGES

Burke, K.; Smith, J. C.; Grabowski, P. E.; ...

2016-05-15

Universal exact conditions guided the construction of most ground-state density functional approximations in use today. Here, we derive the relation between the entropy and Mermin free energy density functionals for thermal density functional theory. Both the entropy and sum of kinetic and electron-electron repulsion functionals are shown to be monotonically increasing with temperature, while the Mermin functional is concave downwards. Analogous relations are found for both exchange and correlation. The importance of these conditions is illustrated in two extremes: the Hubbard dimer and the uniform gas.

Long-range corrected density functional through the density matrix expansion based semilocal exchange hole.

PubMed

Patra, Bikash; Jana, Subrata; Samal, Prasanjit

2018-03-28

The exchange hole, which is one of the principal constituents of the density functional formalism, can be used to design accurate range-separated hybrid functionals in association with appropriate correlation. In this regard, the exchange hole derived from the density matrix expansion has gained attention due to its fulfillment of some of the desired exact constraints. Thus, the new long-range corrected density functional proposed here combines the meta generalized gradient approximation level exchange functional designed from the density matrix expansion based exchange hole coupled with the ab initio Hartree-Fock exchange through the range separation of the Coulomb interaction operator using the standard error function technique. Then, in association with the Lee-Yang-Parr correlation functional, the assessment and benchmarking of the above newly constructed range-separated functional with various well-known test sets shows its reasonable performance for a broad range of molecular properties, such as thermochemistry, non-covalent interaction and barrier heights of the chemical reactions.

Beyond Kohn-Sham Approximation: Hybrid Multistate Wave Function and Density Functional Theory.

PubMed

Gao, Jiali; Grofe, Adam; Ren, Haisheng; Bao, Peng

2016-12-15

A multistate density functional theory (MSDFT) is presented in which the energies and densities for the ground and excited states are treated on the same footing using multiconfigurational approaches. The method can be applied to systems with strong correlation and to correctly describe the dimensionality of the conical intersections between strongly coupled dissociative potential energy surfaces. A dynamic-then-static framework for treating electron correlation is developed to first incorporate dynamic correlation into contracted state functions through block-localized Kohn-Sham density functional theory (KSDFT), followed by diagonalization of the effective Hamiltonian to include static correlation. MSDFT can be regarded as a hybrid of wave function and density functional theory. The method is built on and makes use of the current approximate density functional developed in KSDFT, yet it retains its computational efficiency to treat strongly correlated systems that are problematic for KSDFT but too large for accurate WFT. The results presented in this work show that MSDFT can be applied to photochemical processes involving conical intersections.

Impact of nursery management practices on heritability estimates and frequency distributions of first-order lateral roots of loblolly pine.

Treesearch

Paul P. Kormanik; H.D. Muse; S.J Sung

1991-01-01

Frequency distribution and heritability of first-order later root (FOLR) numbers in 1-0 seedlings were followed for 5 years for 115 different half-sib seedlots from the Georgia Forestry Commission's Arrowhead and Baldwin Seed Orchards. In 1986 and 1987, seedlings were permitted unrestricted growth under management conditions similar to those practiced in most...

Land uses, fire, and invasion: Exotic annual Bromus and human dimensions [Chapter 11

Treesearch

David A. Pyke; Jeanne C. Chambers; Jeffrey L. Beck; Matthew L. Brooks; Brian A. Mealor

2016-01-01

Human land uses are the primary cause of the introduction and spread of exotic annual Bromus species. Initial introductions were likely linked to contaminated seeds used by homesteading farmers in the late 1880s and early 1900s. Transportation routes aided their spread. Unrestricted livestock grazing from the 1800s through the mid-1900s reduced native plant competitors...

Evolution of the Marine Officer Fitness Report: A Multivariate Analysis

DTIC Science & Technology

This thesis explores the evaluation behavior of United States Marine Corps (USMC) Reporting Seniors (RSs) from 2010 to 2017. Using fitness report...RSs evaluate the performance of subordinate active component unrestricted officer MROs over time. I estimate logistic regression models of the...lowest. However, these correlations indicating the effects of race matching on FITREP evaluations narrow in significance when performance-based factors

Bites and B-Roll: Announcments of the Architecture Contest Winners

ScienceCinema

None

2017-12-09

Broadcast-quality downloads of this video are available free and unrestricted at http://stratacomm.net/solar-decathlon... Video contains announcements of the architecture awards announcement at the 2009 Solar Decathlon. Includes announcement and house b-roll of 1st place winner Team California and 2nd place winner Rice University's houses, general Solar Village b-roll, and bites from students and architecture experts

An Assessment of Cultural Resources in Cochiti Reservoir.

DTIC Science & Technology

1975-11-01

cultural Resource Managmnt Central New blexico, Archaic, Anasazi, Hispanic D. Uzmlassified 246 Unrestricte8i4rvd* Wfowrq LrV AN ASSESSMENT OF CULTURAL...discussed belo. B. Approaches The explanatory approach taken in this analysis will focus upon Isolating relationships between human cultural behavior...be used to explain precisely the dynmic relationship which pertains between human behavior and the environment. Such research has, however, resulted

Simple telemetering system for signaling high rumen pressures.

PubMed

PAYNE, L C

1960-02-26

The construction of a modified Hartley oscillator transmitter activated through a pressure switch is described. When this device is placed within the rumen of a cow which is allowed unrestricted movement in the pasture, frequency-modulation signals are transmitted to a recording receiver whenever a preselected pressure is exceeded. The pressure at which transmission begins is determined by the capacitance across the coil of the circuit.

Follow the Money: Strategies for Using Finance to Leverage Change in Higher Education. Complete to Compete Briefing Paper

ERIC Educational Resources Information Center

Conklin, Kristin

2011-01-01

The U.S. spends twice as much as the average industrialized country on higher education, but continues to slide relative to other nations in the percentage of young adults with an associate degree or higher. Despite recent reductions in state aid to higher education, state taxpayers continue to be the largest single source of unrestricted funds…

The Four Forces Airpower Theory

DTIC Science & Technology

2011-05-19

exported early B-17s to Great Britain to little tactical success. While British complaints led to improvements in the 0.3 and 0.5 inch guns, armor plating...civilians.64 Unfortunately, the tendency to predict unrestricted growth of friendly technology and lethality while denying the...reduced planned features. Competing defense priorities permanently stunted the program’s growth . Resource dollars may end up being one of the greatest

Reconfigurable Integrated Optoelectronics

DTIC Science & Technology

2011-01-01

state -changing could be done also using thermo-optical, mechano-optical, magneto-optical or opto-optical inputs. The speed of reconfiguration can be fast... quantum computers, is a futuristic activity; however, Jeremy O’Brien believes that the time horizon for OQC suc- cess can be brought closer in by using ...2011 Richard Soref. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use

Classifying Floating Potential Measurement Unit Data Products as Science Data

NASA Technical Reports Server (NTRS)

Coffey, Victoria; Minow, Joseph

2015-01-01

We are Co-Investigators for the Floating Potential Measurement Unit (FPMU) on the International Space Station (ISS) and members of the FPMU operations and data analysis team. We are providing this memo for the purpose of classifying raw and processed FPMU data products and ancillary data as NASA science data with unrestricted, public availability in order to best support science uses of the data.

The Term Risk: Etymology, Legal Definition and Various Traits

PubMed Central

Liuzzo, Gaetano; Bentley, Stefano; Giacometti, Federica; Bonfante, Elena

2014-01-01

The etymology of the term risk and its legal qualification and definitions are reported in this article; decription of the various traits of the term risk used in food safety management (acceptable risk, current risk, emerging risk, crude risk, unrestricted risk, perceived risk, real risk, residual risk, reduced risk, baseline risk, serious risk, major technological risk, etc.) are presented and discussed. PMID:27800325

Recycling/Disposal Alternatives for Depleted Uranium Wastes

DTIC Science & Technology

1981-01-01

could pass before new sites are available. Recent experi- ence with attempts to dispose of wastes generated by cleanup of the Three Mile Island...commercial sector. Nonordnance uses include counterweights, Lallast, shielding , and special appli- cations machinery. Although the purity requirements...Refer- ence 11). Since the activity of the tailings is higher than allow- able for unrestricted access, large earth -dam retention systems, known as

On extending Kohn-Sham density functionals to systems with fractional number of electrons.

PubMed

Li, Chen; Lu, Jianfeng; Yang, Weitao

2017-06-07

We analyze four ways of formulating the Kohn-Sham (KS) density functionals with a fractional number of electrons, through extending the constrained search space from the Kohn-Sham and the generalized Kohn-Sham (GKS) non-interacting v-representable density domain for integer systems to four different sets of densities for fractional systems. In particular, these density sets are (I) ensemble interacting N-representable densities, (II) ensemble non-interacting N-representable densities, (III) non-interacting densities by the Janak construction, and (IV) non-interacting densities whose composing orbitals satisfy the Aufbau occupation principle. By proving the equivalence of the underlying first order reduced density matrices associated with these densities, we show that sets (I), (II), and (III) are equivalent, and all reduce to the Janak construction. Moreover, for functionals with the ensemble v-representable assumption at the minimizer, (III) reduces to (IV) and thus justifies the previous use of the Aufbau protocol within the (G)KS framework in the study of the ground state of fractional electron systems, as defined in the grand canonical ensemble at zero temperature. By further analyzing the Aufbau solution for different density functional approximations (DFAs) in the (G)KS scheme, we rigorously prove that there can be one and only one fractional occupation for the Hartree Fock functional, while there can be multiple fractional occupations for general DFAs in the presence of degeneracy. This has been confirmed by numerical calculations using the local density approximation as a representative of general DFAs. This work thus clarifies important issues on density functional theory calculations for fractional electron systems.

SU-F-J-06: Optimized Patient Inclusion for NaF PET Response-Based Biopsies

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

Roth, A; Harmon, S; Perk, T

Purpose: A method to guide mid-treatment biopsies using quantitative [F-18]NaF PET/CT response is being investigated in a clinical trial. This study aims to develop methodology to identify patients amenable to mid-treatment biopsy based on pre-treatment imaging characteristics. Methods: 35 metastatic prostate cancer patients had NaF PET/CT scans taken prior to the start of treatment and 9–12 weeks into treatment. For mid-treatment biopsy targeting, lesions must be at least 1.5 cm{sup 3} and located in a clinically feasible region (lumbar/sacral spine, pelvis, humerus, or femur). Three methods were developed based on number of lesions present prior to treatment: a feasibility-restricted method,more » a location-restricted method, and an unrestricted method. The feasibility restricted method only utilizes information from lesions meeting biopsy requirements in the pre-treatment scan. The unrestricted method accounts for all lesions present in the pre-treatment scan. For each method, optimized classification cutoffs for candidate patients were determined. Results: 13 of the 35 patients had enough lesions at the mid-treatment for biopsy candidacy. Of 1749 lesions identified in all 35 patients at mid-treatment, only 9.8% were amenable to biopsy. Optimizing the feasibility-restricted method required 4 lesions at pre-treatment meeting volume and region requirements for biopsy, resulting patient identification sensitivity of 0.8 and specificity of 0.7. Of 6 false positive patients, only one patient lacked lesions for biopsy. Restricting for location alone showed poor results (sensitivity 0.2 and specificity 0.3). The optimized unrestricted method required patients have at least 37 lesions in pretreatment scan, resulting in a sensitivity of 0.8 and specificity of 0.8. There were 5 false positives, only one lacked lesions for biopsy. Conclusion: Incorporating the overall pre-treatment number of NaF PET/CT identified lesions provided best prediction for identifying candidate patients for mid-treatment biopsy. This study provides validity for prediction-based inclusion criteria that can be extended to various clinical trial scenarios. Funded by Prostate Cancer Foundation.« less