Robust controller design for flexible structures using normalized coprime factor plant descriptions

NASA Technical Reports Server (NTRS)

Armstrong, Ernest S.

1993-01-01

Stabilization is a fundamental requirement in the design of feedback compensators for flexible structures. The search for the largest neighborhood around a given design plant for which a single controller produces closed-loop stability can be formulated as an H(sub infinity) control problem. The use of normalized coprime factor plant descriptions, in which the plant perturbations are defined as additive modifications to the coprime factors, leads to a closed-form expression for the maximum neighborhood boundary allowing optimal and suboptimal H(sub infinity) compensators to be computed directly without the usual gamma iteration. A summary of the theory on robust stabilization using normalized coprime factor plant descriptions is presented, and the application of the theory to the computation of robustly stable compensators for the phase version of the Control-Structures Interaction (CSI) Evolutionary Model is described. Results from the application indicate that the suboptimal version of the theory has the potential of providing the bases for the computation of low-authority compensators that are robustly stable to expected variations in design model parameters and additive unmodeled dynamics.

Understanding the latent structure of the emotional disorders in children and adolescents.

PubMed

Trosper, Sarah E; Whitton, Sarah W; Brown, Timothy A; Pincus, Donna B

2012-05-01

Investigators are persistently aiming to clarify structural relationships among the emotional disorders in efforts to improve diagnostic classification. The high co-occurrence of anxiety and mood disorders, however, has led investigators to portray the current structure of anxiety and depression in the Diagnostic and Statistical Manual of Mental Disorders (DSM-IV, APA 2000) as more descriptive than empirical. This study assesses various structural models in a clinical sample of youths with emotional disorders. Three a priori factor models were tested, and the model that provided the best fit to the data showed the dimensions of anxiety and mood disorders to be hierarchically organized within a single, higher-order factor. This supports the prevailing view that the co-occurrence of anxiety and mood disorders in children is in part due to a common vulnerability (e.g., negative affectivity). Depression and generalized anxiety loaded more highly onto the higher-order factor than the other disorders, a possible explanation for the particularly high rates of comorbidity between the two. Implications for the taxonomy and treatment of mood and anxiety disorders for children and adolescents are discussed.

The factorial validity of the Maslach Burnout Inventory-Student Survey in China.

PubMed

Hu, Qiao; Schaufeli, Wilmar B

2009-10-01

The dimensional structure of the Maslach Burnout Inventory-Student Survey (MBI-SS) was investigated using data collected from three samples of Chinese students in two high schools, a university, and a nursing school, respectively (total N = 1,499; 36% males, 64% females; M age 19.0 yr., SD = 1.3). Single group Confirmatory Factor Analyses corroborated the hypothesized three-factor model for the composite sample as well as for the three independent samples. Subsequent multigroup analyses revealed that the three-dimensional structure of the MBI-SS is partially invariant across three samples. It is concluded that the MBI-SS can be used to assess burnout in Chinese students.

Dynamical spin structure factors of α-RuCl3

NASA Astrophysics Data System (ADS)

Suzuki, Takafumi; Suga, Sei-ichiro

2018-03-01

Honeycomb-lattice magnet α-RuCl3 is considered to be a potential candidate of realizing Kitaev spin liquid, although this material undergoes a phase transition to the zigzag magnetically ordered state at T N ∼ 7 K. Quite recently, inelastic neutron-scattering experiments using single crystal α-RuCl3 have unveiled characteristic dynamical properties. We calculate dynamical spin structure factors of three ab-initio models for α-RuCl3 with an exact numerical diagonalization method. We also calculate temperature dependences of the specific heat by employing thermal pure quantum states. We compare our numerical results with the experiments and discuss characteristics obtained by using three ab-initio models.

Structure of a highly stable mutant of human fibroblast growth factor 1.

PubMed

Szlachcic, Anna; Zakrzewska, Małgorzata; Krowarsch, Daniel; Os, Vibeke; Helland, Ronny; Smalås, Arne O; Otlewski, Jacek

2009-01-01

Fibroblast growth factors (FGFs) are involved in diverse cellular processes such as cell migration, angiogenesis, osteogenesis, wound healing and embryonic and foetal development. Human acidic fibroblast growth factor (FGF-1) is the only member of the FGF family that binds with high affinity to all four FGF receptors and thus is considered to be the human mitogen with the broadest specificity. However, pharmacological applications of FGF-1 are limited owing to its low stability. It has previously been reported that the introduction of single mutations can significantly improve the stability of FGF-1 and its resistance to proteolytic degradation. Here, the structure of the Q40P/S47I/H93G triple mutant of FGF-1, which exhibits much higher stability, a prolonged half-life and enhanced mitogenic activity, is presented. Compared with the wild-type structure, three localized conformational changes in the stable triple mutant were observed, which is in agreement with the perfect energetic additivity of the single mutations described in a previous study. The huge change in FGF-1 stability (the denaturation temperature increased by 21.5 K, equivalent to DeltaDeltaG(den) = 24.3 kJ mol(-1)) seems to result from the formation of a short 3(10)-helix (position 40), an improvement in the propensity of amino acids to form beta-sheets (position 47) and the rearrangement of a local hydrogen-bond network (positions 47 and 93).

Determination of Transverse Charge Density from Kaon Form Factor Data

NASA Astrophysics Data System (ADS)

Mejia-Ott, Johann; Horn, Tanja; Pegg, Ian; Mecholski, Nicholas; Carmignotto, Marco; Ali, Salina

2016-09-01

At the level of nucleons making up atomic nuclei, among subatomic particles made up of quarks, K-mesons or kaons represent the most simple hadronic system including the heavier strange quark, having a relatively elementary bound state of a quark and an anti-quark as its valence structure. Its electromagnetic structure is then parametrized by a single, dimensionless quantity known as the form factor, the two-dimensional Fourier transform of which yields the quantity of transverse charge density. Transverse charge density, in turn, provides a needed framework for the interpretation of form factors in terms of physical charge and magnetization, both with respect to the propagation of a fast-moving nucleon. To this is added the value of strange quarks in ultimately presenting a universal, process-independent description of nucleons, further augmenting the importance of studying the kaon's internal structure. The pressing character of such research questions directs the present paper, describing the first extraction of transverse charge density from electromagnetic kaon form factor data. The extraction is notably extended to form factor data at recently acquired higher energy levels, whose evaluation could permit more complete phenomenological models for kaon behavior to be proposed. This work was supported in part by NSF Grant PHY-1306227.

Structural Basis of Mitochondrial Transcription Initiation.

PubMed

Hillen, Hauke S; Morozov, Yaroslav I; Sarfallah, Azadeh; Temiakov, Dmitry; Cramer, Patrick

2017-11-16

Transcription in human mitochondria is driven by a single-subunit, factor-dependent RNA polymerase (mtRNAP). Despite its critical role in both expression and replication of the mitochondrial genome, transcription initiation by mtRNAP remains poorly understood. Here, we report crystal structures of human mitochondrial transcription initiation complexes assembled on both light and heavy strand promoters. The structures reveal how transcription factors TFAM and TFB2M assist mtRNAP to achieve promoter-dependent initiation. TFAM tethers the N-terminal region of mtRNAP to recruit the polymerase to the promoter whereas TFB2M induces structural changes in mtRNAP to enable promoter opening and trapping of the DNA non-template strand. Structural comparisons demonstrate that the initiation mechanism in mitochondria is distinct from that in the well-studied nuclear, bacterial, or bacteriophage transcription systems but that similarities are found on the topological and conceptual level. These results provide a framework for studying the regulation of gene expression and DNA replication in mitochondria. Copyright © 2017 Elsevier Inc. All rights reserved.

A Single IGF1 Allele Is a Major Determinant of Small Size in Dogs

PubMed Central

Sutter, Nathan B.; Bustamante, Carlos D.; Chase, Kevin; Gray, Melissa M.; Zhao, Keyan; Zhu, Lan; Padhukasahasram, Badri; Karlins, Eric; Davis, Sean; Jones, Paul G.; Quignon, Pascale; Johnson, Gary S.; Parker, Heidi G.; Fretwell, Neale; Mosher, Dana S.; Lawler, Dennis F.; Satyaraj, Ebenezer; Nordborg, Magnus; Lark, K. Gordon; Wayne, Robert K.; Ostrander, Elaine A.

2009-01-01

The domestic dog exhibits greater diversity in body size than any other terrestrial vertebrate. We used a strategy that exploits the breed structure of dogs to investigate the genetic basis of size. First, through a genome-wide scan, we identified a major quantitative trait locus (QTL) on chromosome 15 influencing size variation within a single breed. Second, we examined genetic variation in the 15-megabase interval surrounding the QTL in small and giant breeds and found marked evidence for a selective sweep spanning a single gene (IGF1), encoding insulin-like growth factor 1. A single IGF1 single-nucleotide polymorphism haplotype is common to all small breeds and nearly absent from giant breeds, suggesting that the same causal sequence variant is a major contributor to body size in all small dogs. PMID:17412960

A single IGF1 allele is a major determinant of small size in dogs.

PubMed

Sutter, Nathan B; Bustamante, Carlos D; Chase, Kevin; Gray, Melissa M; Zhao, Keyan; Zhu, Lan; Padhukasahasram, Badri; Karlins, Eric; Davis, Sean; Jones, Paul G; Quignon, Pascale; Johnson, Gary S; Parker, Heidi G; Fretwell, Neale; Mosher, Dana S; Lawler, Dennis F; Satyaraj, Ebenezer; Nordborg, Magnus; Lark, K Gordon; Wayne, Robert K; Ostrander, Elaine A

2007-04-06

The domestic dog exhibits greater diversity in body size than any other terrestrial vertebrate. We used a strategy that exploits the breed structure of dogs to investigate the genetic basis of size. First, through a genome-wide scan, we identified a major quantitative trait locus (QTL) on chromosome 15 influencing size variation within a single breed. Second, we examined genetic variation in the 15-megabase interval surrounding the QTL in small and giant breeds and found marked evidence for a selective sweep spanning a single gene (IGF1), encoding insulin-like growth factor 1. A single IGF1 single-nucleotide polymorphism haplotype is common to all small breeds and nearly absent from giant breeds, suggesting that the same causal sequence variant is a major contributor to body size in all small dogs.

QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors.

PubMed

Qin, Li-Tang; Liu, Shu-Shen; Liu, Hai-Ling

2010-02-01

A five-variable model (model M2) was developed for the bioconcentration factors (BCFs) of nonpolar organic compounds (NPOCs) by using molecular electronegativity distance vector (MEDV) to characterize the structures of NPOCs and variable selection and modeling based on prediction (VSMP) to select the optimum descriptors. The estimated correlation coefficient (r (2)) and the leave-one-out cross-validation correlation coefficients (q (2)) of model M2 were 0.9271 and 0.9171, respectively. The model was externally validated by splitting the whole data set into a representative training set of 85 chemicals and a validation set of 29 chemicals. The results show that the main structural factors influencing the BCFs of NPOCs are -cCc, cCcc, -Cl, and -Br (where "-" refers to a single bond and "c" refers to a conjugated bond). The quantitative structure-property relationship (QSPR) model can effectively predict the BCFs of NPOCs, and the predictions of the model can also extend the current BCF database of experimental values.

How alkyl halide structure affects E2 and SN2 reaction barriers: E2 reactions are as sensitive as SN2 reactions.

PubMed

Rablen, Paul R; McLarney, Brett D; Karlow, Brandon J; Schneider, Jean E

2014-02-07

High-level electronic structure calculations, including a continuum treatment of solvent, are employed to elucidate and quantify the effects of alkyl halide structure on the barriers of SN2 and E2 reactions. In cases where such comparisons are available, the results of these calculations show close agreement with solution experimental data. Structural factors investigated include α- and β-methylation, adjacency to unsaturated functionality (allyl, benzyl, propargyl, α to carbonyl), ring size, and α-halogenation and cyanation. While the influence of these factors on SN2 reactivity is mostly well-known, the present study attempts to provide a broad comparison of both SN2 and E2 reactivity across many cases using a single methodology, so as to quantify relative reactivity trends. Despite the fact that most organic chemistry textbooks say far more about how structure affects SN2 reactions than about how it affects E2 reactions, the latter are just as sensitive to structural variation as are the former. This sensitivity of E2 reactions to structure is often underappreciated.

Structural Studies of Silver Nanoparticles Obtained Through Single-Step Green Synthesis

NASA Astrophysics Data System (ADS)

Prasad Peddi, Siva; Abdallah Sadeh, Bilal

2015-10-01

Green synthesis of silver Nanoparticles (AGNP's) has been the most prominent among the metallic nanoparticles for research for over a decade and half now due to both the simplicity of preparation and the applicability of biological species with extensive applications in medicine and biotechnology to reduce and trap the particles. The current article uses Eclipta Prostrata leaf extract as the biological species to cap the AGNP's through a single step process. The characterization data obtained was used for the analysis of the sample structure. The article emphasizes the disquisition of their shape and size of the lattice parameters and proposes a general scheme and a mathematical model for the analysis of their dependence. The data of the synthesized AGNP's has been used to advantage through the introduction of a structural shape factor for the crystalline nanoparticles. The properties of the structure of the AGNP's proposed and evaluated through a theoretical model was undeviating with the experimental consequences. This modus operandi gives scope for the structural studies of ultrafine particles prepared using biological methods.

Dynamics of competitive systems with a single common limiting factor.

PubMed

Kon, Ryusuke

2015-02-01

The concept of limiting factors (or regulating factors) succeeded in formulating the well-known principle of competitive exclusion. This paper shows that the concept of limiting factors is helpful not only to formulate the competitive exclusion principle, but also to obtain other ecological insights. To this end, by focusing on a specific community structure, we study the dynamics of Kolmogorov equations and show that it is possible to derive an ecologically insightful result only from the information about interactions between species and limiting factors. Furthermore, we find that the derived result is a generalization of the preceding work by Shigesada, Kawasaki, and Teramoto (1984), who examined a certain Lotka-Volterra equation in a different context.

The prosocial personality and its facets: genetic and environmental architecture of mother-reported behavior of 7-year-old twins

PubMed Central

Knafo-Noam, Ariel; Uzefovsky, Florina; Israel, Salomon; Davidov, Maayan; Zahn-Waxler, Caroyln

2015-01-01

Children vary markedly in their tendency to behave prosocially, and recent research has implicated both genetic and environmental factors in this variability. Yet, little is known about the extent to which different aspects of prosociality constitute a single dimension (the prosocial personality), and to the extent they are intercorrelated, whether these aspects share their genetic and environmental origins. As part of the Longitudinal Israeli Study of Twins (LIST), mothers of 183 monozygotic (MZ) and dizygotic (DZ) 7-year-old twin pairs (51.6% male) reported regarding their children’s prosociality using questionnaires. Five prosociality facets (sharing, social concern, kindness, helping, and empathic concern) were identified. All five facets intercorrelated positively (r > 0.39) suggesting a single-factor structure to the data, consistent with the theoretical idea of a single prosociality trait. Higher MZ than DZ twin correlations indicated genetic contributions to each prosociality facet. A common-factor-common-pathway multivariate model estimated high (69%) heritability for the common prosociality factor, with the non-shared environment and error accounting for the remaining variance. For each facet, unique genetic and environmental contributions were identified as well. The results point to the presence of a broad prosociality phenotype, largely affected by genetics; whereas additional genetic and environmental factors contribute to different aspects of prosociality, such as helping and sharing. PMID:25762952

Structure of nerve growth factor complexed with the shared neurotrophin receptor p75.

PubMed

He, Xiao-Lin; Garcia, K Christopher

2004-05-07

Neurotrophins are secreted growth factors critical for the development and maintenance of the vertebrate nervous system. Neurotrophins activate two types of cell surface receptors, the Trk receptor tyrosine kinases and the shared p75 neurotrophin receptor. We have determined the 2.4 A crystal structure of the prototypic neurotrophin, nerve growth factor (NGF), complexed with the extracellular domain of p75. Surprisingly, the complex is composed of an NGF homodimer asymmetrically bound to a single p75. p75 binds along the homodimeric interface of NGF, which disables NGF's symmetry-related second p75 binding site through an allosteric conformational change. Thus, neurotrophin signaling through p75 may occur by disassembly of p75 dimers and assembly of asymmetric 2:1 neurotrophin/p75 complexes, which could potentially engage a Trk receptor to form a trimolecular signaling complex.

Phase Transitions of Thermoelectric TAGS-85.

PubMed

Kumar, Anil; Vermeulen, Paul A; Kooi, Bart J; Rao, Jiancun; van Eijck, Lambert; Schwarzmüller, Stefan; Oeckler, Oliver; Blake, Graeme R

2017-12-18

The alloys (GeTe) x (AgSbTe 2 ) 100-x , commonly known as TAGS-x, are among the best performing p-type thermoelectric materials for the composition range 80 ≤ x ≤ 90 and in the temperature range 200-500 °C. They adopt a rhombohedrally distorted rocksalt structure at room temperature and are reported to undergo a reversible phase transition to a cubic structure at ∼250 °C. However, we show that, for the optimal x = 85 composition (TAGS-85), both the structural and thermoelectric properties are highly sensitive to the initial synthesis method employed. Single-phase rhombohedral samples exhibit the best thermoelectric properties but can only be obtained after an annealing step at 600 °C during initial cooling from the melt. Under faster cooling conditions, the samples obtained are inhomogeneous, containing multiple rhombohedral phases with a range of lattice parameters and exhibiting inferior thermoelectric properties. We also find that when the room-temperature rhombohedral phase is heated, an intermediate trigonal structure containing ordered cation vacancy layers is formed at ∼200 °C, driven by the spontaneous precipitation of argyrodite-type Ag 8 GeTe 6 which alters the stoichiometry of the TAGS-85 matrix. The rhombohedral and trigonal phases of TAGS-85 coexist up to 380 °C, above which a single cubic phase is obtained and the Ag 8 GeTe 6 precipitates redissolve into the matrix. On subsequent cooling a mixture of rhombohedral, trigonal, and Ag 8 GeTe 6 phases is again obtained. Initially single-phase samples exhibit thermoelectric power factors of up to 0.0035 W m -1 K -2 at 500 °C, a value that is maintained on subsequent thermal cycling and which represents the highest power factor yet reported for undoped TAGS-85. Therefore, control over the structural homogeneity of TAGS-85 as demonstrated here is essential in order to optimize the thermoelectric performance.

Efficient multitasking of Choleski matrix factorization on CRAY supercomputers

NASA Technical Reports Server (NTRS)

Overman, Andrea L.; Poole, Eugene L.

1991-01-01

A Choleski method is described and used to solve linear systems of equations that arise in large scale structural analysis. The method uses a novel variable-band storage scheme and is structured to exploit fast local memory caches while minimizing data access delays between main memory and vector registers. Several parallel implementations of this method are described for the CRAY-2 and CRAY Y-MP computers demonstrating the use of microtasking and autotasking directives. A portable parallel language, FORCE, is used for comparison with the microtasked and autotasked implementations. Results are presented comparing the matrix factorization times for three representative structural analysis problems from runs made in both dedicated and multi-user modes on both computers. CPU and wall clock timings are given for the parallel implementations and are compared to single processor timings of the same algorithm.

The Social Structural, Family, School, and Personal Characteristics of At-Risk Students: Policy Recommendations for School Personnel.

ERIC Educational Resources Information Center

Vacha, Edward F.; McLaughlin, T. F.

1992-01-01

Summarizes research concerning the characteristics of at-risk students. Available research clearly demonstrates that the single most consistent factor characterizing at-risk students is social class. Consequently, studies investigating the impact of social class on school success are also reviewed. Research leads to specific suggestions for…

Measuring Experiential Avoidance: A Preliminary Test of a Working Model

ERIC Educational Resources Information Center

Hayes, Steven C.; Strosahl, Kirk; Wilson, Kelly G.; Bissett, Richard T.; Pistorello, Jacqueline; Toarmino, Dosheen; Polusny, Melissa A.; Dykstra, Thane A.; Batten, Sonja V.; Bergan, John; Stewart, Sherry H.; Zvolensky, Michael J.; Eifert, Georg H.; Bond, Frank W.; Forsyth, John P.; Karekla, Maria; Mccurry, Susan M.

2004-01-01

The present study describes the development of a short, general measure of experiential avoidance, based on a specific theoretical approach to this process. A theoretically driven iterative exploratory analysis using structural equation modeling on data from a clinical sample yielded a single factor comprising 9 items. A fully confirmatory factor…

Multilevel Motivation and Engagement: Assessing Construct Validity across Students and Schools

ERIC Educational Resources Information Center

Martin, Andrew J.; Malmberg, Lars-Erik; Liem, Gregory Arief D.

2010-01-01

Statistical biases associated with single-level analyses underscore the importance of partitioning variance/covariance matrices into individual and group levels. From a multilevel perspective based on data from 21,579 students in 58 high schools, the present study assesses the multilevel factor structure of motivation and engagement with a…

The Impact of Culture on Filipino American Students' Sense of Belonging

ERIC Educational Resources Information Center

Museus, Samuel D.; Maramba, Dina C.

2011-01-01

The purpose of this study was to examine the influence of cultural factors on Filipino American students' sense of belonging in college. The authors utilized structural equation modeling techniques to analyze a single-institution sample of 143 Filipino American undergraduates and estimate the impact of pressure to commit "cultural…

Factor V activation and inactivation by venom proteases.

PubMed

Rosing, J; Govers-Riemslag, J W; Yukelson, L; Tans, G

2001-01-01

Blood coagulation factor V is a single-chain glycoprotein with M(r) = 330,000 which plays an important role in the procoagulant and anticoagulant pathways. Thrombin activates factor V into factor Va, a two-chain molecule which is composed of a heavy (M(r) = 105,000) and a light chain (M(r) = 71,000/74,000). Factor Va accelerates factor Xa-catalysed prothrombin activation more than 1,000-fold and under physiological conditions the cofactor activity of factor Va in prothrombin activation is down-regulated by activated protein C. Factor V can also be activated by a wide variety of snake venoms (e.g. from Vipera species, Naja naja oxiana, Bothrops atrox) and by proteases present in the bristles of a South American caterpillar (Lonomia achelous). Some venoms, notably of Vipera lebetina turanica and Lonomia achelous, contain proteases that are able to inactivate factor V or factor Va. Venom factor V activators are excellent tools in studying the structure-function relationship of factor V(a) and they are also used in diagnostic tests for quantification of plasma factor V levels and for the screening of defects in the protein C pathway. In this review, the structural and functional properties of animal venom factor V activators and inactivators is described. Copyright 2002 S. Karger AG, Basel

Role of endoplasmic reticulum stress-induced apoptosis in rat thyroid toxicity caused by excess fluoride and/or iodide.

PubMed

Liu, Hongliang; Hou, Changchun; Zeng, Qiang; Zhao, Liang; Cui, Yushan; Yu, Linyu; Wang, Lingzhi; Zhao, Yang; Nie, Junyan; Zhang, Bin; Wang, Aiguo

2016-09-01

Excess fluoride and iodide coexist in drinking water in many regions, but few studies have investigated the single or interactive effects on thyroid in vivo. In our study, Wistar rats were exposed to excess fluoride and/or iodide through drinking water for 2 or 8 months. The structure and function of the thyroid, cells apoptosis and the expression of inositol-requiring enzyme 1 (IRE1) pathway-related factors were analyzed. Results demonstrated that excess fluoride and/or iodide could change thyroid follicular morphology and alter thyroid hormone levels in rats. After 8 months treatment, both single and co-exposure of the two microelements could raise the thyroid cells apoptosis. However, the expressions of IRE1-related factors were only increased in fluoride-alone and the combined groups. In conclusion, thyroid structure and thyroid function were both affected by excess fluoride and/or iodide. IRE1-induced apoptosis were involved in this cytotoxic process caused by fluoride or the combination of two microelements. Copyright © 2016 Elsevier B.V. All rights reserved.

Large-mode-area single-mode-output Neodymium-doped silicate glass all-solid photonic crystal fiber

PubMed Central

Li, Wentao; Chen, Danping; Qinling, Zhou; Hu, Lili

2015-01-01

We have demonstrated a 45 μm core diameter Neodymium-doped all-solid silicate glass photonic crystal fiber laser with a single mode laser output. The structure parameters and modes information of the fiber are both demonstrated by theoretical calculations using Finite Difference Time Domain (FDTD) method and experimental measurements. Maximum 0.8 W output power limited by launched pump power has been generated in 1064 nm with laser beam quality factor M2 1.18. PMID:26205850

Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

PubMed

Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

2015-02-02

Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low-loss microelectrodes fabricated using reverse-side exposure for a tunable ferroelectric capacitor application

NASA Astrophysics Data System (ADS)

Yoon, Yong-Kyu; Stevenson Kenney, J.; Hunt, Andrew T.; Allen, Mark G.

2006-02-01

Narrowly spaced thick microelectrodes are fabricated using a self-aligned multiple reverse-side exposure scheme for an improved quality-factor tunable ferroelectric capacitor. The microelectrodes are fabricated on a functional substrate—a thin film ferroelectric (barium strontium titanate, BST; BaxSr1-xTiO3) coated sapphire substrate, which has an electric-field-dependent dielectric property providing tuning functionality, as well as UV transparency permitting an additional degree of freedom in photolithography steps. The microelectrode process has been applied to interdigitated capacitor fabrication, where a critical challenge is maintaining narrow gaps between electrodes for high tunability, while simultaneously forming thick electrodes to minimize conductor loss. A single mask, self-aligned reverse-side exposure through the transparent substrate achieves both these goals. A single-finger test capacitor with an electrode gap of 1.2 µm and an electrode thickness of 2.2 µm is fabricated and characterized. Tunability (T = 100 × (C0 - Cbias)/C0) of 33% at 10 V has been achieved at 100 kHz. The 2.2 µm thick structure shows improvement of Q-factor compared to that of a 0.1 µm thick structure. To demonstrate the scalability of this process, a 102-finger interdigitated capacitor is fabricated and characterized at 100 kHz and 1 GHz. The structure is embedded in a 25 µm thick epoxy resin SU-8 for passivation. A quality factor decrease of 15-25%, tunability decrease of 2-3% and capacitance increase of 6% are observed due to the expoxy resin after passivation. High frequency performance of the capacitor has been measured to be 15.9 pF of capacitance, 28.1% tunability at 10 V and a quality factor of 16 (at a 10 V dc bias) at 1 GHz.

A generalized quantitative interpretation of dark-field contrast for highly concentrated microsphere suspensions

PubMed Central

Gkoumas, Spyridon; Villanueva-Perez, Pablo; Wang, Zhentian; Romano, Lucia; Abis, Matteo; Stampanoni, Marco

2016-01-01

In X-ray grating interferometry, dark-field contrast arises due to partial extinction of the detected interference fringes. This is also called visibility reduction and is attributed to small-angle scattering from unresolved structures in the imaged object. In recent years, analytical quantitative frameworks of dark-field contrast have been developed for highly diluted monodisperse microsphere suspensions with maximum 6% volume fraction. These frameworks assume that scattering particles are separated by large enough distances, which make any interparticle scattering interference negligible. In this paper, we start from the small-angle scattering intensity equation and, by linking Fourier and real-space, we introduce the structure factor and thus extend the analytical and experimental quantitative interpretation of dark-field contrast, for a range of suspensions with volume fractions reaching 40%. The structure factor accounts for interparticle scattering interference. Without introducing any additional fitting parameters, we successfully predict the experimental values measured at the TOMCAT beamline, Swiss Light Source. Finally, we apply this theoretical framework to an experiment probing a range of system correlation lengths by acquiring dark-field images at different energies. This proposed method has the potential to be applied in single-shot-mode using a polychromatic X-ray tube setup and a single-photon-counting energy-resolving detector. PMID:27734931

Interactions of DNA binding proteins with G-Quadruplex structures at the single molecule level

NASA Astrophysics Data System (ADS)

Ray, Sujay

Guanine-rich nucleic acid (DNA/RNA) sequences can form non-canonical secondary structures, known as G-quadruplex (GQ). Numerous in vivo and in vitro studies have demonstrated formation of these structures in telomeric and non-telomeric regions of the genome. Telomeric GQs protect the chromosome ends whereas non-telomeric GQs either act as road blocks or recognition sites for DNA metabolic machinery. These observations suggest the significance of these structures in regulation of different metabolic processes, such as replication and repair. GQs are typically thermodynamically more stable than the corresponding Watson-Crick base pairing formed by G-rich and C-rich strands, making protein activity a crucial factor for their destabilization. Inside the cell, GQs interact with different proteins and their enzymatic activity is the determining factor for their stability. We studied interactions of several proteins with GQs to understand the underlying principles of protein-GQ interactions using single-molecule FRET and other biophysical techniques. Replication Protein-A (RPA), a single stranded DNA (ssDNA) binding protein, is known to posses GQ unfolding activity. First, we compared the thermal stability of three potentially GQ-forming DNA sequences (PQS) to their stability against RPA-mediated unfolding. One of these sequences is the human telomeric repeat and the other two, located in the promoter region of tyrosine hydroxylase gene, are highly heterogeneous sequences that better represent PQS in the genome. The thermal stability of these structures do not necessarily correlate with their stability against protein-mediated unfolding. We conclude that thermal stability is not necessarily an adequate criterion for predicting the physiological viability of GQ structures. To determine the critical structural factors that influence protein-GQ interactions we studied two groups of GQ structures that have systematically varying loop lengths and number of G-tetrad layers. We observed a linear increase in the steady-state stability of the GQ against RPA-mediated unfolding with increasing number of layers or decreasing loop length. The stability demonstrated by different GQ structures varied by at least three orders of magnitude. Finally, we studied another protein-GQ system where a protein complex works synergistically with a GQ to suppress DNA damage signals by preventing RPA to bind to telomeric DNA. Human telomeres that terminate with a single-stranded 3' G-overhang can be recognized as a DNA damage site by RPA. The protection of telomere-1 (POT1) and POT1-interacting protein (TPP1) heterodimer, binds specifically to telomeric DNA and protects it against RPA binding. Using model telomeric DNA, we studied the competition between POT1/TPP1 and RPA to access telomeric GQs in vitro. Under physiological salt and pH conditions, POT1/TPP1 stably load to a minimal DNA sequence adjacent to a folded GQ and unfolds the anti-parallel GQ as the parallel conformation remains folded. We showed that GQ formation of telomeres enhances the ability of POT1/TPP1 to block RPA's access to telomeres by two orders of magnitude and contributes to suppress DNA damage signals.

The NASA Task Load Index as a measure of overall workload among neonatal, paediatric and adult intensive care nurses.

PubMed

Tubbs-Cooley, Heather L; Mara, Constance A; Carle, Adam C; Gurses, Ayse P

2018-02-12

The NASA Task Load Index (NASA-TLX) is a subjective workload assessment scale developed for use in aviation and increasingly applied to healthcare. The scale purports to measure overall workload as a single variable calculated by summing responses to six items. Since no data address the validity of this scoring approach in health care, we evaluated the single factor structure of the NASA-TLX as a measure of overall workload among intenisive care nurses. Confirmatory factor analysis of data from two studies of nurse workload in neonatal, paediatric, and adult intensive care units. Study 1 data were obtained from 136 nurses in one neonatal intensive care unit. Study 2 data were collected from 300 nurses in 17 adult, paediatric and neonatal units. Nurses rated their workload using the NASA-TLX's paper version. A single factor model testing whether all six items measured a single overall workload variable fit least well (RMSEA = 0.14; CFI = 0.91; TLI = 0.85). A second model that specified two items as outcomes of overall workload had acceptable fit (RMSEA = 0.08; CFI = 0.97; TLI = 0.95) while a third model of four items fit best (RMSEA = 0.06; CFI > 0.99; TLI = 0.99). A summed score from four of six NASA-TLX items appears to most reliably measure a single overall workload variable among intensive care nurses. Copyright © 2018 Elsevier Ltd. All rights reserved.

Design and cost drivers in 2-D braiding

NASA Technical Reports Server (NTRS)

Morales, Alberto

1993-01-01

Fundamentally, the braiding process is a highly efficient, low cost method for combining single yarns into circumferential shapes, as evidenced by the number of applications for continuous sleeving. However, this braiding approach cannot fully demonstrate that it can drastically reduce the cost of complex shape structural preforms. Factors such as part geometry, machine design and configuration, materials used, and operating parameters are described as key cost drivers and what is needed to minimize their effect on elevating the cost of structural braided preforms.

Effects of wear on structure-sensitive magnetic properties of ceramic ferrite in contact with magnetic tape

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Tanaka, K.

1985-01-01

Wear experiments and electron microscopy and diffraction studies were conducted to examine the wear and deformed layers in single-crystal Mn-Zn (ceramic) ferrite magnetic head material in contact with magnetic tape and the effects of that contact on magnetic properties. The crystalline state of the single-crystal magnetic head was changed drastically during the sliding process. A nearly amorphous structure was produced on its wear surface. Deformation in the surficial layer of the magnetic head was a critical factor in readback signal loss above 2.5 dB. The signal output level was reduced as applied normal load was increased. Considerable plastic flow occurred on the magnetic tape surface with sliding, and the signal loss due to the tape wear was approximately 1 dB.

Structure-property relationships in directionally solidified single crystal NiAl

NASA Technical Reports Server (NTRS)

Noebe, R. D.; Kim, J. T.; Gibala, R.

1987-01-01

The ordered intermetallic alloy NiAl is being considered as a potential high temperature structural material, but lack of ductility at ambient temperatures, especially in polycrystalline form, is presently a major obstacle in achieving this goal. Even general agreement of the intrinsic ductility that can be achieved in monocrystals is in dispute. In order to understand this problem, two directionally solidified ingots of NiAl which displayed known differences in ductility were characterized in sufficient detail to identify the corresponding microstructural differences. It was found that the type and size of casting defects, i.e., porosity, present in the material were the major factors in controlling ductility of NiAl single crystals and could explain the order of magnitude variance in fracture strains reported in the literature.

Numerical modelling of a fibre reflection filter based on a metal–dielectric diffraction structure with an increased optical damage threshold

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

Terentyev, V S; Simonov, V A

2016-02-28

Numerical modelling demonstrates the possibility of fabricating an all-fibre multibeam two-mirror reflection interferometer based on a metal–dielectric diffraction structure in its front mirror. The calculations were performed using eigenmodes of a double-clad single-mode fibre. The calculation results indicate that, using a metallic layer in the structure of the front mirror of such an interferometer and a diffraction effect, one can reduce the Ohmic loss by a factor of several tens in comparison with a continuous thin metallic film. (laser crystals and braggg ratings)

Single ion dynamics in molten sodium bromide

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

Alcaraz, O.; Trullas, J.; Demmel, F.

We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable goodmore » agreement between experiment and simulation utilising the polarisable potential.« less

Symplectic multi-particle tracking on GPUs

NASA Astrophysics Data System (ADS)

Liu, Zhicong; Qiang, Ji

2018-05-01

A symplectic multi-particle tracking model is implemented on the Graphic Processing Units (GPUs) using the Compute Unified Device Architecture (CUDA) language. The symplectic tracking model can preserve phase space structure and reduce non-physical effects in long term simulation, which is important for beam property evaluation in particle accelerators. Though this model is computationally expensive, it is very suitable for parallelization and can be accelerated significantly by using GPUs. In this paper, we optimized the implementation of the symplectic tracking model on both single GPU and multiple GPUs. Using a single GPU processor, the code achieves a factor of 2-10 speedup for a range of problem sizes compared with the time on a single state-of-the-art Central Processing Unit (CPU) node with similar power consumption and semiconductor technology. It also shows good scalability on a multi-GPU cluster at Oak Ridge Leadership Computing Facility. In an application to beam dynamics simulation, the GPU implementation helps save more than a factor of two total computing time in comparison to the CPU implementation.

The role of family and maternal factors in childhood obesity.

PubMed

Gibson, Lisa Y; Byrne, Susan M; Davis, Elizabeth A; Blair, Eve; Jacoby, Peter; Zubrick, Stephen R

2007-06-04

To investigate the relationship between a child's weight and a broad range of family and maternal factors. Cross-sectional data from a population-based prospective study, collected between January 2004 and December 2005, for 329 children aged 6-13 years (192 healthy weight, 97 overweight and 40 obese) and their mothers (n=265) recruited from a paediatric hospital endocrinology department and eight randomly selected primary schools in Perth, Western Australia. Height, weight and body mass index (BMI) of children and mothers; demographic information; maternal depression, anxiety, stress and self-esteem; general family functioning; parenting style; and negative life events. In a multilevel model, maternal BMI and family structure (single-parent v two-parent families) were the only significant predictors of child BMI z scores. Childhood obesity is not associated with adverse maternal or family characteristics such as maternal depression, negative life events, poor general family functioning or ineffective parenting style. However, having an overweight mother and a single-parent (single-mother) family increases the likelihood of a child being overweight or obese.

Coupling of small, low-loss hexapole mode with photonic crystal slab waveguide mode.

PubMed

Kim, Guk-Hyun; Lee, Yong-Hee; Shinya, Akihiko; Notomi, Masaya

2004-12-27

Coupling characteristics between the single-cell hexapole mode and the triangular-lattice photonic crystal slab waveguide mode is studied by the finite-difference time-domain method. The single-cell hexapole mode has a high quality factor (Q) of 3.3Chi106 and a small modal volume of 1.18(lambda/n)3. Based on the symmetry, three representative types of coupling geometries (shoulder-couple, butt-couple and side-couple structures) are selected and tested. The coupling efficiency shows strong dependence on the transverse overlap of the cavity mode and the waveguide mode over the region of the waveguide. The shoulder-couple structure shows best coupling characteristics among three tested structures. For example, two shouldercouple waveguides and a hexapole cavity result in a high performance resonant-tunneling-filter with Q of 9.7Chi105 and transmittance of 0.48. In the side-couple structure, the coupling strength is much weaker than that of the shoulder-couple structure because of the poor spatial overlap between the mode profiles. In the direct-couple structure, the energy transfer from the cavity to the waveguide is prohibited because of the symmetry mismatch and no coupling is observed.

Confirmatory factor analysis of the female sexual function index.

PubMed

Opperman, Emily A; Benson, Lindsay E; Milhausen, Robin R

2013-01-01

The Female Sexual Functioning Index (Rosen et al., 2000 ) was designed to assess the key dimensions of female sexual functioning using six domains: desire, arousal, lubrication, orgasm, satisfaction, and pain. A full-scale score was proposed to represent women's overall sexual function. The fifth revision to the Diagnostic and Statistical Manual (DSM) is currently underway and includes a proposal to combine desire and arousal problems. The objective of this article was to evaluate and compare four models of the Female Sexual Functioning Index: (a) single-factor model, (b) six-factor model, (c) second-order factor model, and (4) five-factor model combining the desire and arousal subscales. Cross-sectional and observational data from 85 women were used to conduct a confirmatory factor analysis on the Female Sexual Functioning Index. Local and global goodness-of-fit measures, the chi-square test of differences, squared multiple correlations, and regression weights were used. The single-factor model fit was not acceptable. The original six-factor model was confirmed, and good model fit was found for the second-order and five-factor models. Delta chi-square tests of differences supported best fit for the six-factor model validating usage of the six domains. However, when revisions are made to the DSM-5, the Female Sexual Functioning Index can adapt to reflect these changes and remain a valid assessment tool for women's sexual functioning, as the five-factor structure was also supported.

Self-organized pattern on the surface of a metal anode in low-pressure DC discharge

NASA Astrophysics Data System (ADS)

Yaqi, YANG; Weiguo, LI

2018-03-01

Self-organization phenomena on the surface of a metal electrode in low-pressure DC discharge is studied. In this paper, we carry out laboratory investigations of self-organization in a low-pressure test platform for 100-200 mm rod-plane gaps with a needle tip, conical tip and hemispherical tip within 1-10 kPa. The factors influencing the pattern profile are the pressure value, gap length and shape of the electrode, and a variety of pattern structures are observed by changing these factors. With increasing pressure, first the pattern diameter increases and then decreases. With the needle tip, layer structure, single-ring structure and double-ring structure are displayed successively with increasing pressure. With the conical tip, the ring-like structure gradually forms separate spots with increasing pressure. With the hemispherical tip, there are anode spots inside the ring structure. With the increase of gap length, the diameter of the self-organized pattern increases and the profile of the pattern changes. The development process of the pattern contains three key stages: pattern enlargement, pattern stabilization and pattern shrink.

Ionic scattering factors of atoms that compose biological molecules

PubMed Central

Matsuoka, Rei; Yamashita, Yoshiki; Yamane, Tsutomu; Kidera, Akinori; Maki-Yonekura, Saori

2018-01-01

Ionic scattering factors of atoms that compose biological molecules have been computed by the multi-configuration Dirac–Fock method. These ions are chemically unstable and their scattering factors had not been reported except for O−. Yet these factors are required for the estimation of partial charges in protein molecules and nucleic acids. The electron scattering factors of these ions are particularly important as the electron scattering curves vary considerably between neutral and charged atoms in the spatial-resolution range explored in structural biology. The calculated X-ray and electron scattering factors have then been parameterized for the major scattering curve models used in X-ray and electron protein crystallography and single-particle cryo-EM. The X-ray and electron scattering factors and the fitting parameters are presented for future reference. PMID:29755750

Mode coupling in hybrid square-rectangular lasers for single mode operation

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

Ma, Xiu-Wen; Huang, Yong-Zhen, E-mail: yzhuang@semi.ac.cn; Yang, Yue-De

Mode coupling between a square microcavity and a Fabry-Pérot (FP) cavity is proposed and demonstrated for realizing single mode lasers. The modulations of the mode Q factor as simulation results are observed and single mode operation is obtained with a side mode suppression ratio of 46 dB and a single mode fiber coupling loss of 3.2 dB for an AlGaInAs/InP hybrid laser as a 300-μm-length and 1.5-μm-wide FP cavity connected to a vertex of a 10-μm-side square microcavity. Furthermore, tunable single mode operation is demonstrated with a continuous wavelength tuning range over 10 nm. The simple hybrid structure may shed light on practicalmore » applications of whispering-gallery mode microcavities in large-scale photonic integrated circuits and optical communication and interconnection.« less

The factor structure of the Hospital Anxiety and Depression Scale in individuals with traumatic brain injury.

PubMed

Schönberger, Michael; Ponsford, Jennie

2010-10-30

There is a lack of validated scales for screening for anxiety and depression in individuals with traumatic brain injury (TBI). The purpose of this study was to examine the factor structure of the Hospital Anxiety and Depression Scale (HADS) in individuals with TBI. A total of 294 individuals with TBI (72.1% male; mean age 37.1 years, S.D. 17.5, median post-traumatic amnesia (PTA) duration 17 days) completed the HADS 1 year post-injury. A series of confirmatory factor analyses was conducted to examine the fit of a one-, two- and three-factor solution, with and without controlling for item wording effects (Multi-Trait Multi-Method approach). The one-, two- or three-factor model fit the data only when controlling for negative item wording. The results are in support of the validity of the original anxiety and depression subscales of the HADS and demonstrate the importance of evaluating item wording effects when examining the factor structure of a questionnaire. The results would also justify the use of the HADS as a single scale of emotional distress. However, even though the three-factor solution fit the data, alternative scales should be used if the purpose of the assessment is to measure stress symptoms separately from anxiety and depression. Copyright © 2009 Elsevier Ltd. All rights reserved.

The role of BST2/tetherin in infection with the feline retroviruses

PubMed Central

Dietrich, Isabelle; Hosie, Margaret J.; Willett, Brian J.

2014-01-01

The recently identified host restriction factor tetherin (BST-2, CD317) potently inhibits the release of nascent retrovirus particles from infected cells. Recently, we reported the identification and characterization of tetherin as a novel feline retroviral restriction factor. Based on homology to human tetherin we identified a putative tetherin gene in the genome of the domestic cat (Felis catus) which was found to be expressed in different feline cell lines both prior to and post treatment with either type I or type II interferon (IFN). The predicted structure of feline tetherin (feTHN) was that of a type II single-pass transmembrane protein encoding an N-terminal transmembrane anchor, central predicted coiled-coil bearing extracellular domain to promote dimerization, and a C-terminal GPI-anchor, consistent with conservation of structure between human and feline tetherin. FeTHN displayed potent inhibition of feline immunodeficiency virus (FIV) and human immunodeficiency virus type 1 (HIV-1) particle release in single-cycle replication assays. Notably, feTHN activity was resistant to antagonism by HIV-1 Vpu. However, stable ectopic expression of feTHN mRNA in different feline cell lines had no inhibitory effect on the growth of diverse primary or cell culture-adapted strains of FIV. Hence, whereas feline tetherin efficiently blocks viral particle release in single-cycle replication assays, it might not prevent dissemination of feline retroviruses in vivo. PMID:21715020

Genetic polymorphisms and protein structures in growth hormone, growth hormone receptor, ghrelin, insulin-like growth factor 1 and leptin in Mehraban sheep.

PubMed

Bahrami, A; Behzadi, Sh; Miraei-Ashtiani, S R; Roh, S-G; Katoh, K

2013-09-15

The somatotropic axis, the control system for growth hormone (GH) secretion and its endogenous factors involved in the regulation of metabolism and energy partitioning, has promising potentials for producing economically valuable traits in farm animals. Here we investigated single nucleotide polymorphisms (SNPs) of the genes of factors involved in the somatotropic axis for growth hormone (GH1), growth hormone receptor (GHR), ghrelin (GHRL), insulin-like growth factor 1 (IGF-I) and leptin (LEP), using polymerase chain reaction-single-strand conformation polymorphism (PCR-SSCP) and DNA sequencing methods in 452 individual Mehraban sheep. A nonradioactive method to allow SSCP detection was used for genomic DNA and PCR amplification of six fragments: exons 4 and 5 of GH1; exon 10 of GH receptor (GHR); exon 1 of ghrelin (GHRL); exon 1 of insulin-like growth factor-I (IGF-I), and exon 3 of leptin (LEP). Polymorphisms were detected in five of the six PCR products. Two electrophoretic patterns were detected for GH1 exon 4. Five conformational patterns were detected for GH1 exon 5 and LEP exon 3, and three for IGF-I exon 1. Only GHR and GHRL were monomorphic. Changes in protein structures due to variable SNPs were also analyzed. The results suggest that Mehraban sheep, a major breed that is important for the animal industry in Middle East countries, has high genetic variability, opening interesting prospects for future selection programs and preservation strategies. Copyright © 2013 Elsevier B.V. All rights reserved.

The PROMIS fatigue item bank has good measurement properties in patients with fibromyalgia and severe fatigue.

PubMed

Yost, Kathleen J; Waller, Niels G; Lee, Minji K; Vincent, Ann

2017-06-01

Efficient management of fibromyalgia (FM) requires precise measurement of FM-specific symptoms. Our objective was to assess the measurement properties of the Patient-Reported Outcome Measurement Information System (PROMIS) fatigue item bank (FIB) in people with FM. We applied classical psychometric and item response theory methods to cross-sectional PROMIS-FIB data from two samples. Data on the clinical FM sample were obtained at a tertiary medical center. Data for the U.S. general population sample were obtained from the PROMIS network. The full 95-item bank was administered to both samples. We investigated dimensionality of the item bank in both samples by separately fitting a bifactor model with two group factors; experience and impact. We assessed measurement invariance between samples, and we explored an alternate factor structure with the normative sample and subsequently confirmed that structure in the clinical sample. Finally, we assessed whether reporting FM subdomain scores added value over reporting a single total score. The item bank was dominated by a general fatigue factor. The fit of the initial bifactor model and evidence of measurement invariance indicated that the same constructs were measured across the samples. An alternative bifactor model with three group factors demonstrated slightly improved fit. Subdomain scores add value over a total score. We demonstrated that the PROMIS-FIB is appropriate for measuring fatigue in clinical samples of FM patients. The construct can be presented by a single score; however, subdomain scores for the three group factors identified in the alternative model may also be reported.

Clustering of leptin and physical activity with components of metabolic syndrome in Iranian population: an exploratory factor analysis.

PubMed

Esteghamati, Alireza; Zandieh, Ali; Khalilzadeh, Omid; Morteza, Afsaneh; Meysamie, Alipasha; Nakhjavani, Manouchehr; Gouya, Mohammad Mehdi

2010-10-01

Metabolic syndrome (MetS), manifested by insulin resistance, dyslipidemia, central obesity, and hypertension, is conceived to be associated with hyperleptinemia and physical activity. The aim of this study was to elucidate the factors underlying components of MetS and also to test the suitability of leptin and physical activity as additional components of this syndrome. Data of the individuals without history of diabetes mellitus, aged 25-64 years, from third national surveillance of risk factors of non-communicable diseases (SuRFNCD-2007), were analyzed. Performing factor analysis on waist circumference, homeostasis model assessment of insulin resistance, systolic blood pressure, triglycerides (TG) and high-density lipoprotein cholesterol (HDL-C) led to extraction of two factors which explained around 59.0% of the total variance in both genders. When TG and HDL-C were replaced by TG to HDL-C ratio, a single factor was obtained. In contrast to physical activity, addition of leptin was consistent with one-factor structure of MetS and improved the ability of suggested models to identify obesity (BMI≥30 kg/m2, P<0.01), using receiver-operator characteristics curve analysis. In general, physical activity loaded on the first identified factor. Our study shows that one underlying factor structure of MetS is also plausible and the inclusion of leptin does not interfere with this structure. Further, this study suggests that physical activity influences MetS components via modulation of the main underlying pathophysiologic pathway of this syndrome.

The direct measurement of the 3 3P0-3 3P1 fine-structure interval and the gJ-factor of atomic silicon by laser magnetic resonance

NASA Technical Reports Server (NTRS)

Evenson, K. M.; Beltran-Lopez, V.; Ley-Koo, E.; Inguscio, M.

1984-01-01

The J - 1 fine structure interval and the g-factor of the 3P1 state have been determined with high precision in the present laser magnetic resonance measurements of the ground 3p2 3P multiplet of atomic Si. Delta-E(3P1-3P0) = 2,311,755.6(7) MHz, and gJ(3P1) = 1.500830(70). Single-configuration calculations of gJ for 3P1 and 3P2 yield a value for the latter which, at 1.501095, is noted to differ by an unexpectedly large margin from the experimental value.

Test and Analysis Correlation of a Large-Scale, Orthogrid-Stiffened Metallic Cylinder without Weld Lands

NASA Technical Reports Server (NTRS)

Rudd, Michelle T.; Hilburger, Mark W.; Lovejoy, Andrew E.; Lindell, Michael C.; Gardner, Nathaniel W.; Schultz, Marc R.

2018-01-01

The NASA Engineering Safety Center (NESC) Shell Buckling Knockdown Factor Project (SBKF) was established in 2007 by the NESC with the primary objective to develop analysis-based buckling design factors and guidelines for metallic and composite launch-vehicle structures.1 A secondary objective of the project is to advance technologies that have the potential to increase the structural efficiency of launch-vehicles. The SBKF Project has determined that weld-land stiffness discontinuities can significantly reduce the buckling load of a cylinder. In addition, the welding process can introduce localized geometric imperfections that can further exacerbate the inherent buckling imperfection sensitivity of the cylinder. Therefore, single-piece barrel fabrication technologies can improve structural efficiency by eliminating these weld-land issues. As part of this effort, SBKF partnered with the Advanced Materials and Processing Branch (AMPB) at NASA Langley Research Center (LaRC), the Mechanical and Fabrication Branch at NASA Marshall Space Flight Center (MSFC), and ATI Forged Products to design and fabricate an 8-ft-diameter orthogrid-stiffened seamless metallic cylinder. The cylinder was subjected to seven subcritical load sequences (load levels that are not intended to induce test article buckling or material failure) and one load sequence to failure. The purpose of this test effort was to demonstrate the potential benefits of building cylindrical structures with no weld lands using the flow-formed manufacturing process. This seamless barrel is the ninth 8-ft-diameter metallic barrel and the first single-piece metallic structure to be tested under this program.

Cross-cultural adaptation, validation and factor structure of the Insight Scale for Affective Disorders.

PubMed

de Assis da Silva, Rafael; Mograbi, Daniel C; Camelo, Evelyn V M; Morton, Gregory Duff; Landeira-Fernandez, J; Cheniaux, Elie

2015-06-01

In the last few decades, several tools for studying insight in bipolar disorders have been used. Olaya and colleagues developed the Insight Scale for Affective Disorders (ISAD), which consists of a scale measuring insight through hetero evaluation for patients with mood disorders. The objective of this work is to translate and adapt the original English version of the ISAD to Brazilian Portuguese (ISAD-BR) and to conduct an evaluation of its psychometric properties. Adaptation procedures included translation/back-translation and consultation with a panel of experts. 95 patients with the diagnosis of Type 1 bipolar disorder were evaluated with the final version of the ISAD-BR, which was applied, simultaneously, but independently, by two examiners. Internal consistency and inter-rater reliability were explored and the latent structure of the scale was investigated with principal axis factoring and promax rotation. A second-order factor analysis was conducted to test if the scale had a hierarchical factor structure. The ISAD-BR showed good internal consistency and good inter-rater reliability. The analysis pointed to a four-factor solution of the ISAD-BR: awareness of symptoms associated with activity/energy; awareness of having a disorder; awareness of self-esteem and feelings of pleasure; and awareness of social functioning and relationships. The second order factor analysis indicated a hierarchical factor structure for the ISAD-BR, with the four lower-order factors loading on a single higher-order factor. Insight into bipolar disorder is a multidimensional construct, covering different aspects of the condition and its symptomatology. Nevertheless, insight about activity/energy changes may be a crucial aspect of insight into bipolar disorder. Copyright © 2015 Elsevier B.V. All rights reserved.

γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

NASA Astrophysics Data System (ADS)

Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

2017-05-01

This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 106 and detection limit of 1.0 × 10-7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

Societal and Family Situations in the U.S.A. That Affect Children's Pro-Social Behavior.

ERIC Educational Resources Information Center

Jambor, Tom

This paper discusses social and emotional development during childhood and adolescence in the United States, focusing on factors that affect children's prosocial behavior and the role of parents in promoting such behavior. It is argued that changing family structures, including the growth of single parent families and "latch-key" children, along…

Stability of Core Language Skill from Early Childhood to Adolescence: A Latent Variable Approach

ERIC Educational Resources Information Center

Bornstein, Marc H.; Hahn, Chun-Shin; Putnick, Diane L.; Suwalsky, Joan T. D.

2014-01-01

This four-wave prospective longitudinal study evaluated stability of language in 324 children from early childhood to adolescence. Structural equation modeling supported loadings of multiple age-appropriate multisource measures of child language on single-factor core language skills at 20 months and 4, 10, and 14 years. Large stability…

The Structure of Problem Behavior in a Sample of Maltreated Youths

ERIC Educational Resources Information Center

Culhane, Sara E.; Taussig, Heather N.

2009-01-01

Studies of adolescent community samples suggest that substance use, risky sexual behavior, delinquency, and other problem behaviors can be explained in part by a single, underlying factor or syndrome. Of current interest is the generalizability of these findings to subgroups or special populations of youths who may be at high risk for problem…

Variability in Parameter Estimates and Model Fit across Repeated Allocations of Items to Parcels

ERIC Educational Resources Information Center

Sterba, Sonya K.; MacCallum, Robert C.

2010-01-01

Different random or purposive allocations of items to parcels within a single sample are thought not to alter structural parameter estimates as long as items are unidimensional and congeneric. If, additionally, numbers of items per parcel and parcels per factor are held fixed across allocations, different allocations of items to parcels within a…

Structural Equivalence of Involvement in Problem Behavior by Adolescents across Racial Groups Using Multiple Group Confirmatory Factor Analysis.

ERIC Educational Resources Information Center

Williams, James H.; And Others

1996-01-01

Problem behavior theory predicts that adolescent problem behaviors are manifestations of a single behavioral syndrome. This study tested the validity of the theory across racial groups. Results indicate that multiple pathways are necessary to account for the problem behaviors and they support previous research indicating system response bias in…

The effects of rigid motions on elastic network model force constants

PubMed Central

Lezon, Timothy R.

2012-01-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model’s single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here we investigate the differences between calculated values of force constants _t to data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. PMID:22228562

Validation of the group nuclear safety climate questionnaire.

PubMed

Navarro, M Felisa Latorre; Gracia Lerín, Francisco J; Tomás, Inés; Peiró Silla, José María

2013-09-01

Group safety climate is a leading indicator of safety performance in high reliability organizations. Zohar and Luria (2005) developed a Group Safety Climate scale (ZGSC) and found it to have a single factor. The ZGSC scale was used as a basis in this study with the researchers rewording almost half of the items on this scale, changing the referents from the leader to the group, and trying to validate a two-factor scale. The sample was composed of 566 employees in 50 groups from a Spanish nuclear power plant. Item analysis, reliability, correlations, aggregation indexes and CFA were performed. Results revealed that the construct was shared by each unit, and our reworded Group Safety Climate (GSC) scale showed a one-factor structure and correlated to organizational safety climate, formalized procedures, safety behavior, and time pressure. This validation of the one-factor structure of the Zohar and Luria (2005) scale could strengthen and spread this scale and measure group safety climate more effectively. Copyright © 2013 National Safety Council and Elsevier Ltd. All rights reserved.

Natural single amino acid polymorphism (F19Y) in human galectin-8: detection of structural alterations and increased growth-regulatory activity on tumor cells.

PubMed

Ruiz, Federico M; Scholz, Barbara A; Buzamet, Eliza; Kopitz, Jürgen; André, Sabine; Menéndez, Margarita; Romero, Antonio; Solís, Dolores; Gabius, Hans-Joachim

2014-03-01

Natural amino acid substitution by single-site nucleotide polymorphism can become a valuable tool for structure-activity correlations, especially if evidence for association to disease parameters exists. Focusing on the F19Y change in human galectin-8, connected clinically to rheumatoid arthritis, we here initiate the study of consequences of a single-site substitution in the carbohydrate recognition domain of this family of cellular effectors. We apply a strategically combined set of structural and cell biological techniques for comparing properties of the wild-type and variant proteins. The overall hydrodynamic behavior of the full-length protein and of the separate N-domain is not noticeably altered, but displacements in the F0 β-strand of the β-sandwich fold in the N-domain are induced, as evidenced by protein crystallography. Analysis of thermal stability by circular dichroism spectroscopy revealed perceptible differences for the full-length proteins, pointing to an impact of the substitution beyond the N-domain. In addition, small differences in thermodynamic parameters of carbohydrate binding are detected. On the level of two types of tumor cells, characteristics of binding appeared rather similar. In further comparison of the influence on proliferation, the variant proved to be more active as growth regulator in the six tested lines of neuroblastoma, erythroleukemia and colon adenocarcinoma. The seemingly subtle structural change identified here thus has functional implications in vitro, encouraging further analysis in autoimmune regulation and, in a broad context, in work with other natural single-site variants, using the documented combined strategy. The atomic coordinates and structure factors (codes 4BMB, 4BME) have been deposited in the Protein Data Bank. © 2014 FEBS.

Mothering Experiences: How Single Parenthood and Employment Structure the Emotional Valence of Parenting.

PubMed

Meier, Ann; Musick, Kelly; Flood, Sarah; Dunifon, Rachel

2016-06-01

Research studies and popular accounts of parenting have documented the joys and strains of raising children. Much of the literature comparing parents with those without children indicates a happiness advantage for those without children, although recent studies have unpacked this general advantage to reveal differences by the dimension of well-being considered and important features in parents' lives and parenting experiences. We use unique data from the 2010, 2012, and 2013 American Time Use Survey to understand emotions in mothering experiences and how these vary by key demographic factors: employment and partnership status. Assessing mothers' emotions in a broad set of parenting activities while controlling for a rich set of person- and activity-level factors, we find that mothering experiences are generally associated with high levels of emotional well-being, although single parenthood is associated with differences in the emotional valence. Single mothers report less happiness and more sadness, stress, and fatigue in parenting than partnered mothers, and these reports are concentrated among those single mothers who are not employed. Employed single mothers are happier and less sad and stressed when parenting than single mothers who are not employed. Contrary to common assumptions about maternal employment, we find overall few negative associations between employment and mothers' feelings regarding time with children, with the exception that employed mothers report more fatigue in parenting than those who are not employed.

Role of structural barriers in the in vitro bioaccessibility of anthocyanins in comparison with carotenoids.

PubMed

Carrillo, Celia; Buvé, Carolien; Panozzo, Agnese; Grauwet, Tara; Hendrickx, Marc

2017-07-15

Although natural structural barriers are factors limiting nutrient bioaccessibility, their specific role in anthocyanin bioaccessibility is still unknown. To better understand how natural barriers govern bioactive compound bioaccessibility, an experimental approach comparing anthocyanins and carotenoids was designed, using a single plant matrix. Initial results revealed increased anthocyanin bioaccessibility in masticated black carrot. To explain this observation, samples with increasing levels of bioencapsulation (free-compound, homogenized-puree, puree) were examined. While carotenoid bioaccessibility was inversely proportional to the level of bioencapsulation, barrier disruption did not increase anthocyanin bioaccessibility. This means that mechanical processing is of particular importance in the case of carotenoid bioaccessibility. While micelle incorporation is the limiting factor for carotenoid bioaccessibility, anthocyanin degradation under alkaline conditions in the gastrointestinal tract dominates. In the absence of structural barriers, anthocyanin bioaccessibility is greater than that of carotenoids. Copyright © 2017 Elsevier Ltd. All rights reserved.

Genetics of inherited cardiocutaneous syndromes: a review

PubMed Central

Bardawil, Tara; Khalil, Samar; Bergqvist, Christina; Abbas, Ossama; Kibbi, Abdul Ghani; Bitar, Fadi; Nemer, Georges; Kurban, Mazen

2016-01-01

The life of a human being originates as a single cell which, under the influence of certain factors, divides sequentially into multiple cells that subsequently become committed to develop and differentiate into the different structures and organs. Alterations occurring early on in the development process may lead to fetal demise in utero. Conversely, abnormalities at later stages may result in structural and/or functional abnormalities of varying severities. The cardiovascular system and skin share certain developmental and structural factors; therefore, it is not surprising to find several inherited syndromes with both cardiac and skin manifestations. Here, we will review the overlapping pathways in the development of the skin and heart, as well as the resulting syndromes. We will also highlight several cutaneous clues that may help physicians screen and uncover cardiac anomalies that may be otherwise hidden and result in sudden cardiac death. PMID:27933191

The structure of harassment and abuse in the workplace: a factorial comparison of two measures.

PubMed

Fendrich, Michael; Woodword, Paul; Richman, Judith A

2002-08-01

The structures of two measures examining negative experiences in the workplace, one focusing primarily on sexual harassment (SEQ) and one focusing on workplace abuse (GWA), were examined in detail. This article investigated whether the five subscales for the relatively unexplored measure (GWA) are reliably measured by a single underlying construct. It also investigated whether the two workplace-based measures are distinct but related constructs and the consistency of their factor structure across genders. Using a large and diverse organizational survey derived from a Midwestern university, analyses supported the distinctiveness of the two measures and showed that the factor structures for the two constructs were remarkably similar across genders. Analyses also suggested that indices of extreme behavior within each of the constructs were not reliably measured. The findings have important implications for data collection strategies in research focused on negative workplace experiences. This study provides considerable support for the continued use of both measures in research investigating the impact of adverse workplace environment on health.

Shot noise and electronic properties in the inversion-symmetric Weyl semimetal resonant structure

NASA Astrophysics Data System (ADS)

Yang, Yanling; Bai, Chunxu; Xu, Xiaoguang; Jiang, Yong

2018-02-01

Using the transfer matrix method, the authors combine the analytical formula with numerical calculation to explore the shot noise and conductance of massless Weyl fermions in the Weyl semimetal resonant junction. By varying the barrier strength, the structure of the junction, the Fermi energy, and the crystallographic angle, the shot noise and conductance can be tuned efficiently. For a quasiperiodic superlattice, in complete contrast to the conventional junction case, the effect of the disorder strength on the shot noise and conductance depends on the competition of classical tunneling and Klein tunneling. Moreover, the delta barrier structure is also vital in determining the shot noise and conductance. In particular, a universal Fano factor has been found in a single delta potential case, whereas the resonant structure of the Fano factor perfectly matches with the number of barriers in a delta potential superlattice. These results are crucial for engineering nanoelectronic devices based on this topological semimetal material.

Improving the seismic torsional behavior of plan-asymmetric, single-storey, concrete moment resisting buildings with fluid viscous dampers

NASA Astrophysics Data System (ADS)

Rofooei, Fayaz Rahimzadeh; Mohammadzadeh, Sahar

2016-03-01

The optimal distribution of fluid viscous dampers (FVD) in controlling the seismic response of eccentric, single-storey, moment resisting concrete structures is investigated using the previously defined center of damping constant (CDC). For this purpose, a number of structural models with different one-way stiffness and strength eccentricities are considered. Extensive nonlinear time history analyses are carried out for various arrangements of FVDs. It is shown that the arrangement of FVDs for controlling the torsional behavior due to asymmetry in the concrete structures is very dependent on the intensity of the peak ground acceleration (PGA) and the extent of the structural stiffness and strength eccentricities. The results indicate that, in the linear range of structural behavior the stiffness eccentricity es which is the main parameter in determining the location of optimal CDC, is found to be less or smaller than the optimal damping constant eccentricity e*d, i.e., |e*d| > |es|. But, in the nonlinear range of structural behavior where the strength eccentricity er is the dominant factor in determining the location of optimal CDC, |e*d| > |er|. It is also concluded that for the majority of the plan-asymmetric, concrete structures considered in this study with er ≠ 0, the optimal CDC approaches the center of mass as er decreases.

PTSD's latent structure in Malaysian tsunami victims: assessing the newly proposed Dysphoric Arousal model.

PubMed

Armour, Cherie; Raudzah Ghazali, Siti; Elklit, Ask

2013-03-30

The underlying latent structure of Posttraumatic Stress Disorder (PTSD) is widely researched. However, despite a plethora of factor analytic studies, no single model has consistently been shown as superior to alternative models. The two most often supported models are the Emotional Numbing and the Dysphoria models. However, a recently proposed five-factor Dysphoric Arousal model has been gathering support over and above existing models. Data for the current study were gathered from Malaysian Tsunami survivors (N=250). Three competing models (Emotional Numbing/Dysphoria/Dysphoric Arousal) were specified and estimated using Confirmatory Factor Analysis (CFA). The Dysphoria model provided superior fit to the data compared to the Emotional Numbing model. However, using chi-square difference tests, the Dysphoric Arousal model showed a superior fit compared to both the Emotional Numbing and Dysphoria models. In conclusion, the current results suggest that the Dysphoric Arousal model better represents PTSD's latent structure and that items measuring sleeping difficulties, irritability/anger and concentration difficulties form a separate, unique PTSD factor. These results are discussed in relation to the role of Hyperarousal in PTSD's on-going symptom maintenance and in relation to the DSM-5. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Form factors of the d*(2380 ) resonance

NASA Astrophysics Data System (ADS)

Dong, Yubing; Shen, Pengnian; Zhang, Zongye

2018-06-01

In order to explore the possible physical quantities for judging different structures of the newly observed resonance d*(2380 ), we study its electromagnetic form factors. In addition to the electric charge monopole C 0 , we calculate its electric quadrupole E 2 , magnetic dipole M 1 , and magnetic octupole M 3 form factors on the base of the realistic coupled Δ Δ +C8C8 channel d* wave function with both the S - and D -partial waves. The results show that the magnetic dipole moment and electric quadrupole deformation of d* are 7.602 and 2.53 ×10-2 fm2 , respectively. The calculated magnetic dipole moment in the naive constituent quark model is also compared with the result of D12π picture. By comparing with partial results where the d* state is considered with a single Δ Δ and with a D12π structures, we find that in addition to the charge distribution of d*, the magnetic dipole moment and magnetic radius can be used to discriminate different structures of d*. Moreover, a quite small electric quadrupole deformation indicates that d* is more inclined to a slightly oblate shape due to our compact hexaquark dominated structure of d*.

Small-angle neutron scattering study of the short-range organization of dispersed CsNi[Cr(CN){sub 6}] nanoparticles

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

Ridier, Karl; Gillon, Béatrice; André, Gilles

2015-09-21

Prussian blue analogues magnetic nanoparticles (of radius R{sub 0} = 2.4–8.6 nm) embedded in PVP (polyvinylpyrrolidone) or CTA{sup +} (cetyltrimethylammonium) matrices have been studied using neutron diffraction and small angle neutron scattering (SANS) at several concentrations. For the most diluted particles in neutral PVP, the SANS signal is fully accounted for by a “single-particle” spherical form factor with no structural correlations between the nanoparticles and with radii comparable to those inferred from neutron diffraction. For higher concentration in PVP, structural correlations modify the SANS signal with the appearance of a structure factor peak, which is described using an effective “mean-field” model. A newmore » length scale R{sup * }≈ 3R{sub 0}, corresponding to an effective repulsive interaction radius, is evidenced in PVP samples. In CTA{sup +}, electrostatic interactions play a crucial role and lead to a dense layer of CTA{sup +} around the nanoparticles, which considerably alter the SANS patterns as compared to PVP. The SANS data of nanoparticles in CTA{sup +} are best described by a core-shell model without visible inter-particle structure factor.« less

Distress after a single violent crime: how shame-proneness and event-related shame work together as risk factors for post-victimization symptoms.

PubMed

Semb, Olof; Strömsten, Lotta M J; Sundbom, Elisabet; Fransson, Per; Henningsson, Mikael

2011-08-01

To increase understanding of post-victimization symptom development, the present study investigated the role of shame- and guilt-proneness and event-related shame and guilt as potential risk factors. 35 individuals (M age = 31.7 yr.; 48.5% women), recently victimized by a single event of severe violent crime, were assessed regarding shame- and guilt-proneness, event-related shame and guilt, and post-victimization symptoms. The mediating role of event-related shame was investigated with structural equation modeling (SEM), using bootstrapping. The guilt measures were unrelated to each other and to post-victimization symptoms. The shame measures were highly intercorrelated and were both positively correlated to more severe post-victimization symptom levels. Event-related shame as mediator between shame-proneness and post-victimization symptoms was demonstrated by prevalent significant indirect effects. Both shame measures are potent risk factors for distress after victimization, whereby part of the effect of shame-proneness on post-victimization symptoms is explained by event-related shame.

Assessing the fit of the Dysphoric Arousal model across two nationally representative epidemiological surveys: The Australian NSMHWB and the United States NESARC.

PubMed

Armour, Cherie; Carragher, Natacha; Elhai, Jon D

2013-01-01

Since the initial inclusion of PTSD in the DSM nomenclature, PTSD symptomatology has been distributed across three symptom clusters. However, a wealth of empirical research has concluded that PTSD's latent structure is best represented by one of two four-factor models: Numbing or Dysphoria. Recently, a newly proposed five-factor Dysphoric Arousal model, which separates the DSM-IV's Arousal cluster into two factors of Anxious Arousal and Dysphoric Arousal, has gathered support across a variety of trauma samples. To date, the Dysphoric Arousal model has not been assessed using nationally representative epidemiological data. We employed confirmatory factor analysis to examine PTSD's latent structure in two independent population based surveys from American (NESARC) and Australia (NSWHWB). We specified and estimated the Numbing model, the Dysphoria model, and the Dysphoric Arousal model in both samples. Results revealed that the Dysphoric Arousal model provided superior fit to the data compared to the alternative models. In conclusion, these findings suggest that items D1-D3 (sleeping difficulties; irritability; concentration difficulties) represent a separate, fifth factor within PTSD's latent structure using nationally representative epidemiological data in addition to single trauma specific samples. Copyright © 2012 Elsevier Ltd. All rights reserved.

Discovering perturbation of modular structure in HIV progression by integrating multiple data sources through non-negative matrix factorization.

PubMed

Ray, Sumanta; Maulik, Ujjwal

2016-12-20

Detecting perturbation in modular structure during HIV-1 disease progression is an important step to understand stage specific infection pattern of HIV-1 virus in human cell. In this article, we proposed a novel methodology on integration of multiple biological information to identify such disruption in human gene module during different stages of HIV-1 infection. We integrate three different biological information: gene expression information, protein-protein interaction information and gene ontology information in single gene meta-module, through non negative matrix factorization (NMF). As the identified metamodules inherit those information so, detecting perturbation of these, reflects the changes in expression pattern, in PPI structure and in functional similarity of genes during the infection progression. To integrate modules of different data sources into strong meta-modules, NMF based clustering is utilized here. Perturbation in meta-modular structure is identified by investigating the topological and intramodular properties and putting rank to those meta-modules using a rank aggregation algorithm. We have also analyzed the preservation structure of significant GO terms in which the human proteins of the meta-modules participate. Moreover, we have performed an analysis to show the change of coregulation pattern of identified transcription factors (TFs) over the HIV progression stages.

Interfacial structure of two-dimensional epitaxial Er silicide on Si(111)

NASA Astrophysics Data System (ADS)

Tuilier, M. H.; Wetzel, P.; Pirri, C.; Bolmont, D.; Gewinner, G.

1994-07-01

Auger-electron diffraction (AED) and surface-extended x-ray-absorption fine structure (SEXAFS) have been used to obtain a complete description of the atomic structure of a two-dimensional epitaxial Er silicide layer on Si(111). AED reveals that a monolayer of Er is located underneath a buckled Si double layer. The relevant Er-Si interlayer spacings are determined by means of single scattering cluster simulations and a R-factor analysis to be 1.92+/-0.05 Å to the first and 2.70+/-0.05 Å to the second Si top layer. Er near-neighbor bond lengths and coordination numbers are obtained independently from polarization-dependent SEXAFS. The SEXAFS data, when combined with the Si top-layer geometry inferred from AED, permit the determination of the atomic positions at the silicide/Si(111) interface. The Er is found to reside in relaxed T4 sites of Si(111) with a single Er-Si distance of 3.09+/-0.04 Å to the first- and second-layer Si atoms of the substrate.

A phylogenetic community approach for studying termite communities in a West African savannah.

PubMed

Hausberger, Barbara; Korb, Judith

2015-10-01

Termites play fundamental roles in tropical ecosystems, and mound-building species in particular are crucial in enhancing species diversity, from plants to mammals. However, it is still unclear which factors govern the occurrence and assembly of termite communities. A phylogenetic community approach and null models of species assembly were used to examine structuring processes associated with termite community assembly in a pristine savannah. Overall, we did not find evidence for a strong influence of interspecific competition or environmental filtering in structuring these communities. However, the presence of a single species, the mound-building termite Macrotermes bellicosus, left a strong signal on structuring and led to clustered communities of more closely related species. Hence, this species changes the assembly rules for a whole community. Our results show the fundamental importance of a single insect species for community processes, suggesting that more attention to insect species is warranted when developing conservation strategies. © 2015 The Author(s).

Relating structure and composition with accessibility of a single catalyst particle using correlative 3-dimensional micro-spectroscopy

DOE PAGES

Liu, Yijin; Meirer, Florian; Krest, Courtney M.; ...

2016-08-30

To understand how hierarchically structured functional materials operate, analytical tools are needed that can reveal small structural and chemical details in large sample volumes. Often, a single method alone is not sufficient to get a complete picture of processes happening at multiple length scales. Here we present a correlative approach combining three-dimensional X-ray imaging techniques at different length scales for the analysis of metal poisoning of an individual catalyst particle. The correlative nature of the data allowed establishing a macro-pore network model that interprets metal accumulations as a resistance to mass transport and can, by tuning the effect of metalmore » deposition, simulate the response of the network to a virtual ageing of the catalyst particle. In conclusion, the developed approach is generally applicable and provides an unprecedented view on dynamic changes in a material’s pore space, which is an essential factor in the rational design of functional porous materials.« less

Coherent convergent-beam time-resolved X-ray diffraction

PubMed Central

Spence, John C. H.; Zatsepin, Nadia A.; Li, Chufeng

2014-01-01

The use of coherent X-ray lasers for structural biology allows the use of nanometre diameter X-ray beams with large beam divergence. Their application to the structure analysis of protein nanocrystals and single particles raises new challenges and opportunities. We discuss the form of these coherent convergent-beam (CCB) hard X-ray diffraction patterns and their potential use for time-resolved crystallography, normally achieved by Laue (polychromatic) diffraction, for which the monochromatic laser radiation of a free-electron X-ray laser is unsuitable. We discuss the possibility of obtaining single-shot, angle-integrated rocking curves from CCB patterns, and the dependence of the resulting patterns on the focused beam coordinate when the beam diameter is larger or smaller than a nanocrystal, or smaller than one unit cell. We show how structure factor phase information is provided at overlapping interfering orders and how a common phase origin between different shots may be obtained. Their use in refinement of the phase-sensitive intensity between overlapping orders is suggested. PMID:24914153

Genetic diversity revealed by single nucleotide polymorphism markers in a worldwide germplasm collection of durum wheat.

PubMed

Ren, Jing; Sun, Daokun; Chen, Liang; You, Frank M; Wang, Jirui; Peng, Yunliang; Nevo, Eviatar; Sun, Dongfa; Luo, Ming-Cheng; Peng, Junhua

2013-03-28

Evaluation of genetic diversity and genetic structure in crops has important implications for plant breeding programs and the conservation of genetic resources. Newly developed single nucleotide polymorphism (SNP) markers are effective in detecting genetic diversity. In the present study, a worldwide durum wheat collection consisting of 150 accessions was used. Genetic diversity and genetic structure were investigated using 946 polymorphic SNP markers covering the whole genome of tetraploid wheat. Genetic structure was greatly impacted by multiple factors, such as environmental conditions, breeding methods reflected by release periods of varieties, and gene flows via human activities. A loss of genetic diversity was observed from landraces and old cultivars to the modern cultivars released during periods of the Early Green Revolution, but an increase in cultivars released during the Post Green Revolution. Furthermore, a comparative analysis of genetic diversity among the 10 mega ecogeographical regions indicated that South America, North America, and Europe possessed the richest genetic variability, while the Middle East showed moderate levels of genetic diversity.

Morphological classification of bioaerosols from composting using scanning electron microscopy

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

Tamer Vestlund, A.; FIRA International Ltd., Maxwell Road, Stevenage, Herts SG1 2EW; Al-Ashaab, R.

2014-07-15

Highlights: • Bioaerosols were captured using the filter method. • Bioaerosols were analysed using scanning electron microscope. • Bioaerosols were classified on the basis of morphology. • Single small cells were found more frequently than aggregates and larger cells. • Smaller cells may disperse further than heavier aggregate structures. - Abstract: This research classifies the physical morphology (form and structure) of bioaerosols emitted from open windrow composting. Aggregation state, shape and size of the particles captured are reported alongside the implications for bioaerosol dispersal after release. Bioaerosol sampling took place at a composting facility using personal air filter samplers. Samplesmore » were analysed using scanning electron microscopy. Particles were released mainly as small (<1 μm) single, spherical cells, followed by larger (>1 μm) single cells, with aggregates occurring in smaller proportions. Most aggregates consisted of clusters of 2–3 particles as opposed to chains, and were <10 μm in size. No cells were attached to soil debris or wood particles. These small single cells or small aggregates are more likely to disperse further downwind from source, and cell viability may be reduced due to increased exposure to environmental factors.« less

Genetic epidemiology of single gene defects in Chile.

PubMed Central

Cruz-Coke, R; Moreno, R S

1994-01-01

We have studied the correlation between the ethnic structure and the prevalence of single gene defects in Chile. At present the Chilean population is approximately 64% white and 35% Amerindian with traces of other admixture. Fewer than 4% of the Chilean population are foreign born. Investigations indicate that all severe diseases and many others without impaired reproduction have mutation rates within the range of the white population. Classical ethnic diseases are very rare. Autosomal recessive disorders have a wide range of variability: cystic fibrosis has a low incidence and PKU has a similar incidence to English rates. Only 30% of the inborn errors of metabolism have been described in Chilean medical publications. In addition, no Chilean haemoglobin or haptoglobin variants have been described. Some rare inherited diseases in Chilean human isolates have been described, including achromatopsia, chondrocalcinosis, and Creutzfeldt-Jakob disease. The prevalence of intrahepatic cholestasis of pregnancy and supernumerary nipples is the highest in the world and they are associated with aboriginal origin. Single gene defects in Chile are probably shaped by factors related to its ethnic population structure. These local rare single gene defects may be good markers of population admixture for genetic epidemiological studies. PMID:7815439

Thermoelectric properties of SnSe1-xSx(0

NASA Astrophysics Data System (ADS)

Nguyen, Thi Minh Hai; Duong, Anh Tuan; Duvjir, Ganbat; Trinh, Thi Ly; Nguyen, Van Quang; Kim, Jungdae; Cho, Sunglae

Tin selenide (SnSe), a p-type semiconductor, has attracted many attention due to its excellent thermoelectric efficiency, i.e., ZT = 2.6 along the b-axis of its high temperature phase. This issue has renewed interests in thermoelectric properties of the materials which adopted the same layered structure as SnSe, such as SnS, GeS, and GeSe. Among these compounds, tin (II) sulfide (SnS) is exceptionally attractive because of its natural abundance and low toxicity. However, the experimental results show that SnS has possessed a small value of the figure of merit. To optimize the thermoelectric performance of SnS, making solid solution is a potential way. That is our motivation for the investigation of SnSe1-xSx single crystals' thermoelectric properties. In this study, SnSe1-xSx (0

Structural and dynamic changes associated with beneficial engineered single-amino-acid deletion mutations in enhanced green fluorescent protein

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

Arpino, James A. J.; Rizkallah, Pierre J., E-mail: rizkallahp@cardiff.ac.uk; Jones, D. Dafydd, E-mail: rizkallahp@cardiff.ac.uk

2014-08-01

The beneficial engineered single-amino-acid deletion variants EGFP{sup D190Δ} and EGFP{sup A227Δ} have been studied. Single-amino-acid deletions are a common part of the natural evolutionary landscape but are rarely sampled during protein engineering owing to limited and prejudiced molecular understanding of mutations that shorten the protein backbone. Single-amino-acid deletion variants of enhanced green fluorescent protein (EGFP) have been identified by directed evolution with the beneficial effect of imparting increased cellular fluorescence. Biophysical characterization revealed that increased functional protein production and not changes to the fluorescence parameters was the mechanism that was likely to be responsible. The structure EGFP{sup D190Δ} containing amore » deletion within a loop revealed propagated changes only after the deleted residue. The structure of EGFP{sup A227Δ} revealed that a ‘flipping’ mechanism was used to adjust for residue deletion at the end of a β-strand, with amino acids C-terminal to the deletion site repositioning to take the place of the deleted amino acid. In both variants new networks of short-range and long-range interactions are generated while maintaining the integrity of the hydrophobic core. Both deletion variants also displayed significant local and long-range changes in dynamics, as evident by changes in B factors compared with EGFP. Rather than being detrimental, deletion mutations can introduce beneficial structural effects through altering core protein properties, folding and dynamics, as well as function.« less

The factor structure of the Social Interaction Anxiety Scale and the Social Phobia Scale.

PubMed

Heidenreich, Thomas; Schermelleh-Engel, Karin; Schramm, Elisabeth; Hofmann, Stefan G; Stangier, Ulrich

2011-05-01

The Social Interaction Anxiety Scale (SIAS) and the Social Phobia Scale (SPS) are two compendium measures that have become some of the most popular self-report scales of social anxiety. Despite their popularity, it remains unclear whether it is necessary to maintain two separate scales of social anxiety. The primary objective of the present study was to examine the factor analytic structure of both measures to determine the factorial validity of each scale. For this purpose, we administered both scales to 577 patients at the beginning of outpatient treatment. Analyzing both scales simultaneously, a CFA with two correlated factors showed a better fit to the data than a single factor model. An additional EFA with an oblique rotation on all 40 items using the WLSMV estimator further supported the two factor solution. These results suggest that the SIAS and SPS measure similar, but not identical facets of social anxiety. Thus, our findings provide support to retain the SIAS and SPS as two separate scales. Copyright © 2011 Elsevier Ltd. All rights reserved.

Refining the Measurement of Distress Intolerance

PubMed Central

McHugh, R. Kathryn; Otto, Michael W.

2012-01-01

Distress intolerance is an important transdiagnostic variable that has long been implicated in the development and maintenance of psychological disorders. Self-report measurement strategies for distress intolerance have emerged from several different models of psychopathology and these measures have been applied inconsistently in the literature in the absence of a clear gold standard. The absence of a consistent assessment strategy has limited the ability to compare across studies and samples, thus hampering the advancement of this research agenda. This study evaluated the latent factor structure of existing measures of DI to examine the degree to which they are capturing the same construct. Results of confirmatory factor analysis in 3 samples totaling 400 participants provided support for a single factor latent structure. Individual items of these four scales were then correlated with this factor to identify those that best capture the core construct. Results provided consistent supported for 10 items that demonstrated the strongest concordance with this factor. The use of these 10 items as a unifying measure in the study of DI and future directions for the evaluation of its utility are discussed. PMID:22697451

Drug user treatment failure blindness?

PubMed

Einstein, Stan

2012-01-01

An ethnographic case study of a "failed" single goal (abstinence) based individual and group therapy treatment of a New York City, Harlem-based, single, young-adult of color, IDU, mother, which ended in "death by overdose," after a period of abstinence, is presented almost 50 years later, in which complex, multidimensional structural barriers, "normed," consensualized, ideologically-driven preconceptions and an array of contextual, situational and relevant stakeholder factors, which may have resulted in intervention "failure blindness," are reviewed. The need to introduce failure analysis, blindness and management, as well as success analysis, blindness and management, as integral parts of treatment planning, implementation and assessment is raised.

Beyond SaGMRotI: Conversion to SaArb, SaSN, and SaMaxRot

USGS Publications Warehouse

Watson-Lamprey, J. A.; Boore, D.M.

2007-01-01

In the seismic design of structures, estimates of design forces are usually provided to the engineer in the form of elastic response spectra. Predictive equations for elastic response spectra are derived from empirical recordings of ground motion. The geometric mean of the two orthogonal horizontal components of motion is often used as the response value in these predictive equations, although it is not necessarily the most relevant estimate of forces within the structure. For some applications it is desirable to estimate the response value on a randomly chosen single component of ground motion, and in other applications the maximum response in a single direction is required. We give adjustment factors that allow converting the predictions of geometric-mean ground-motion predictions into either of these other two measures of seismic ground-motion intensity. In addition, we investigate the relation of the strike-normal component of ground motion to the maximum response values. We show that the strike-normal component of ground motion seldom corresponds to the maximum horizontal-component response value (in particular, at distances greater than about 3 km from faults), and that focusing on this case in exclusion of others can result in the underestimation of the maximum component. This research provides estimates of the maximum response value of a single component for all cases, not just near-fault strike-normal components. We provide modification factors that can be used to convert predictions of ground motions in terms of the geometric mean to the maximum spectral acceleration (SaMaxRot) and the random component of spectral acceleration (SaArb). Included are modification factors for both the mean and the aleatory standard deviation of the logarithm of the motions.

Diversity changes of microbial communities into hospital surface environments.

PubMed

Yano, Rika; Shimoda, Tomoko; Watanabe, Reina; Kuroki, Yasutoshi; Okubo, Torahiko; Nakamura, Shinji; Matsuo, Junji; Yoshimura, Sadako; Yamaguchi, Hiroyuki

2017-07-01

Previous works have demonstrated considerable variability in hospital cleanliness in Japan, suggesting that contamination is driven by factors that are currently poorly controlled. We undertook 16S rRNA sequence analysis to study population structures of hospital environmental microbiomes to see which factor(s) impacted contamination. One hundred forty-four samples were collected from surfaces of three hospitals with distinct sizes ("A": >500 beds, "B": 100-500 beds, "C": <100 beds). Sample locations of two ward types (Surgical and Internal) included patient room bed table (multiple) (4BT), patient overbed table (multiple) (4OT), patient room sink (multiple) (4S), patient room bed table (single) (SBT), patient overbed table (single) (SOT), patient room sink (single) (SS), nurse desk (ND), and nurse wagon (NW). Total DNA was extracted from each sample, and the 50 samples that yielded sufficient DNA were used for further 16S rRNA sequencing of hospital microbiome populations with cluster analysis. The number of assigned bacterial OTU populations was significantly decreased in hospital "C" compared to the other hospitals. Cluster analysis of sampling locations revealed that the population structure in almost all locations of hospital "C" and some locations in the other hospitals was very similar and unusually skewed with a family, Enterobacteriaceae. Interestingly, locations included patient area (4OT, 4BT, SBT) and nurse area (ND), with a device (NW) bridging the two and a place (4S and SS) shared between patients or visitors. We demonstrated diversity changes of hospital environmental microbiomes with a skewed population, presumably by medical staff pushing NWs or sinks shared by patients or visitors. Copyright © 2017 Japanese Society of Chemotherapy and The Japanese Association for Infectious Diseases. Published by Elsevier Ltd. All rights reserved.

[Reliability and construct validity of the OPD-CA axes structure and prerequisites for treatment].

PubMed

Weitkamp, Katharina; Wiegand-Grefe, Silke; Romer, Georg

2013-01-01

As an instrument to assess specific psychodynamic dimensions, the Operationalized Psychodynamic Diagnostics in Childhood and Adolescence (OPD-CA) is widely used in clinical care and psychotherapeutic training. However, the psychometric validation of its axes is partly still missing. The aim of this study was to test the reliability and construct validity of the axes structure and prerequisites of treatment. 171 children and adolescents (aged 4 to 21 years) with a diagnosed psychiatric disorder who began an analytic psychotherapy were additionally assessed with the OPD-CA by their therapists (n = 25) in the context of naturalistic care in private practice. Therapists were all qualified as analytic child and adolescent psychotherapists and underwent a standardized OPD-CA training. Results indicated conceptually meaningful factor structures for both axes tested. These factor structures predominantly followed the conceptually defined dimensions. Internal consistency was high for the axis structure, modest to low fort he axis prerequisites of treatment. Implications and recommendations for a future revision of the OPD-CA with particular respect of single items and their operationalization are discussed.

Internal Structure and Clinical Utility of the Anxiety Control Questionnaire-Revised (ACQ-R) Spanish Version.

PubMed

Osma, Jorge; Barrada, Juan Ramón; García-Palacios, Azucena; Navarro-Haro, María; Aguilar, Alejandra

2016-10-03

Perceived control has shown predictive value for anxiety severity symptoms as well as cognitive-behavior therapy outcomes. The most commonly used measure of perceived control is the Anxiety Control Questionnaire (ACQ), and more recently the ACQ Revised (ACQ-R). However, both questionnaires have shown structural inconsistencies among several studies. Also, although the ACQ and ACQ-R seem to be multidimensional instruments, a single total score have been commonly used. This study examined the internal structure of the ACQ-R Spanish version using exploratory factor and exploratory bi-factor analysis in a sample of 382 college students and 52 people diagnosed of panic disorder (with or without agoraphobia). Also, in this study we assessed the preliminary diagnostic value of the ACQ-R scores. The results indicated that the ACQ-R Spanish version structure consisted of two factors: one related with perceived control of internal emotional reactions (Emotion Control) and another related with perceived control of external events (Threat and Stress Control). Both specific factors can be adequately summarized by a general factor (General Anxiety Perception of Control; CFI = .973, TLI = .954, RMSEA = .039; p = .002), which accounted for 70% of the common explained variance. The correlations between the ACQ-R scores and with variables like anxiety (r = -.66) or anxiety sensitivity (r = -.50) presented the expected pattern of results. Either the two dimensions structure or the total score have proved to be a good tool to distinguish between participants with panic disorder and non-clinical samples (area under the curve = 0.79).

Measurement invariance of the strength of motivation for medical school: a multi-group confirmatory factor analysis.

PubMed

An, M; Kusurkar, R A; Li, L; Xiao, Y; Zheng, C; Hu, J; Chen, M

2017-07-11

The Strength of Motivation for Medical School-Revised (SMMS-R) questionnaire measures students' motivation for studying medicine. It includes three subscales: 'willingness to sacrifice', 'readiness to start', and 'persistence'. Measurement invariance is a prerequisite for group comparisons. The objectives of this study were to verify the factorial structure of the SMMS-R questionnaire and to investigate it's measurement invariance. A total of 989 medical students were approached, 930 cases were kept for data analysis. Factorial structure of and measurement invariance of the SMMS-R were tested using single and multiple group confirmatory factor analyses with Mplus. Trational Cronbach's α along with McDonald's ω and glb were used to measure internal consistency for each subscale. Internal consistency for subscales and the full instrument were within the acceptable range. A 3-factor structure of the Chinese version of the SMMS-R was supported. Full configural, metric and partial scalar invariance were obtained. The SMMS-R showed measurement invariance across gender and two independent samples. So it can be used for group and cross-cultural comparisons.

Factoring neurotrophins into a neurite-based pathophysiological model of schizophrenia.

PubMed

Bellon, Alfredo; Krebs, Marie-Odile; Jay, Thérèse M

2011-06-01

Neurotrophins are growth factors that, through variations in concentration and changes in receptor expression, regulate the formation of axons and dendrites during development and throughout adult life. Here we review these growth factors, particularly in the context of schizophrenia, a psychiatric disorder characterized by neurodevelopmental abnormalities. We first discuss emerging information derived from physiologically relevant organotypic cultures and in vivo studies regarding the effects of neurotrophins on the neuronal structure including pruning and GABAergic neurons. We then review postmortem studies of neurotrophin levels and their receptors in brains of individuals with schizophrenia, and compare them with what is known about neurotrophin effects on neuronal structure. This comparison indicates that only some neuropathological defects encountered in patients with schizophrenia can be explained by the single action of neurotrophins on dendrites and axons. However, we propose that a number of inconsistent findings and apparently unrelated results in the schizophrenia field can be reconciled if neurons are considered structurally plastic cells capable of extending and retracting dendrites and axons throughout life. Copyright © 2011 Elsevier Ltd. All rights reserved.

Social and structural housing conditions influence the development of a depressive-like phenotype in the learned helplessness paradigm in male mice.

PubMed

Chourbaji, Sabine; Zacher, Christiane; Sanchis-Segura, Carles; Spanagel, Rainer; Gass, Peter

2005-10-14

Structural and social factors are known to play a crucial role in the pathogenesis of depression. Since animal models of depression are a major tool to gain insights into the mechanisms involved in the pathophysiology of this disease it is important not only to exploit but also to be aware of factors that may affect these models. As housing represents a fundamental external factor, which is controversially debated to affect the animals' emotionality, this study aimed to investigate the impact of different social and structural housing conditions on the development of a depressive-like syndrome in the learned helplessness paradigm. Group housing in an impoverished environment led to an increased vulnerability in the learned helplessness paradigm. Groups that were housed enriched, however, were less helpless. Furthermore impoverished conditions did not increase the vulnerability in single housed animals. Regarding emotionality in the animals, basal anxiety was reduced and the exploration was enhanced by group housing and enriched environment. These results suggest that housing conditions significantly influence the outcome of learned helplessness studies.

Measurement properties of the WOMAC LK 3.1 pain scale.

PubMed

Stratford, P W; Kennedy, D M; Woodhouse, L J; Spadoni, G F

2007-03-01

The Western Ontario and McMaster Universities Osteoarthritis Index (WOMAC) is applied extensively to patients with osteoarthritis of the hip or knee. Previous work has challenged the validity of its physical function scale however an extensive evaluation of its pain scale has not been reported. Our purpose was to estimate internal consistency, factorial validity, test-retest reliability, and the standard error of measurement (SEM) of the WOMAC LK 3.1 pain scale. Four hundred and seventy-four patients with osteoarthritis of the hip or knee awaiting arthroplasty were administered the WOMAC. Estimates of internal consistency (coefficient alpha), factorial validity (confirmatory factor analysis), and the SEM based on internal consistency (SEM(IC)) were obtained. Test-retest reliability [Type 2,1 intraclass correlation coefficients (ICC)] and a corresponding SEM(TRT) were estimated on a subsample of 36 patients. Our estimates were: internal consistency alpha=0.84; SEM(IC)=1.48; Type 2,1 ICC=0.77; SEM(TRT)=1.69. Confirmatory factor analysis failed to support a single factor structure of the pain scale with uncorrelated error terms. Two comparable models provided excellent fit: (1) a model with correlated error terms between the walking and stairs items, and between night and sit items (chi2=0.18, P=0.98); (2) a two factor model with walking and stairs items loading on one factor, night and sit items loading on a second factor, and the standing item loading on both factors (chi2=0.18, P=0.98). Our examination of the factorial structure of the WOMAC pain scale failed to support a single factor and internal consistency analysis yielded a coefficient less than optimal for individual patient use. An alternate strategy to summing the five-item responses when considering individual patient application would be to interpret item responses separately or to sum only those items which display homogeneity.

Construction of the energy matrix for complex atoms. Part VIII: Hyperfine structure HPC calculations for terbium atom

NASA Astrophysics Data System (ADS)

Elantkowska, Magdalena; Ruczkowski, Jarosław; Sikorski, Andrzej; Dembczyński, Jerzy

2017-11-01

A parametric analysis of the hyperfine structure (hfs) for the even parity configurations of atomic terbium (Tb I) is presented in this work. We introduce the complete set of 4fN-core states in our high-performance computing (HPC) calculations. For calculations of the huge hyperfine structure matrix, requiring approximately 5000 hours when run on a single CPU, we propose the methods utilizing a personal computer cluster or, alternatively a cluster of Microsoft Azure virtual machines (VM). These methods give a factor 12 performance boost, enabling the calculations to complete in an acceptable time.

Transition Behaviors of Configurations of Colloidal Particles at a Curved Oil-Water Interface

PubMed Central

Lee, Mina; Xia, Ming; Park, Bum Jun

2016-01-01

We studied the transition behaviors of colloidal arrangements confined at a centro-symmetrically curved oil-water interface. We found that assemblies composed of several colloidal particles at the curved interface exhibit at least two unique patterns that can be attributed to two factors: heterogeneity of single-colloid self-potential and assembly kinetics. The presence of the two assembly structures indicates that an essential energy barrier between the two structures exists and that one of the structures is kinetically stable. This energy barrier can be overcome via external stimuli (e.g., convection and an optical force), leading to dynamic transitions of the assembly patterns. PMID:28773263

Multiple-Event, Single-Photon Counting Imaging Sensor

NASA Technical Reports Server (NTRS)

Zheng, Xinyu; Cunningham, Thomas J.; Sun, Chao; Wang, Kang L.

2011-01-01

The single-photon counting imaging sensor is typically an array of silicon Geiger-mode avalanche photodiodes that are monolithically integrated with CMOS (complementary metal oxide semiconductor) readout, signal processing, and addressing circuits located in each pixel and the peripheral area of the chip. The major problem is its single-event method for photon count number registration. A single-event single-photon counting imaging array only allows registration of up to one photon count in each of its pixels during a frame time, i.e., the interval between two successive pixel reset operations. Since the frame time can t be too short, this will lead to very low dynamic range and make the sensor merely useful for very low flux environments. The second problem of the prior technique is a limited fill factor resulting from consumption of chip area by the monolithically integrated CMOS readout in pixels. The resulting low photon collection efficiency will substantially ruin any benefit gained from the very sensitive single-photon counting detection. The single-photon counting imaging sensor developed in this work has a novel multiple-event architecture, which allows each of its pixels to register as more than one million (or more) photon-counting events during a frame time. Because of a consequently boosted dynamic range, the imaging array of the invention is capable of performing single-photon counting under ultra-low light through high-flux environments. On the other hand, since the multiple-event architecture is implemented in a hybrid structure, back-illumination and close-to-unity fill factor can be realized, and maximized quantum efficiency can also be achieved in the detector array.

Investigation of single lateral mode for 852nm diode lasers with ridge waveguide design

NASA Astrophysics Data System (ADS)

Liu, Chu; Guan, Baolu; Mi, Guoxin; Liao, Yiru; Liu, Zhenyang; Li, Jianjun; Xu, Chen

2016-11-01

852nm Narrow linewidth lasers can be widely used in the field of ultra-fine spectrum measurement, Cs atomic clock control, satellite and optical fiber communication and so on. Furthermore, the stability of the single lateral mode is a very important condition to guarantee the narrow linewidth lasers. Here we investigate experimentally the influence of the narrow ridge structure and asymmetrical waveguide design on the stability single lateral mode of an 852nm diode laser. According to the waveguide theoretical analysis, ridge mesa etch depth (Δη , related to the refractive index difference of parallel to the junction) and ridge mesa width (the narrower the more control force to low order mode) are the main elements for lateral modes. In this paper, we designed different structures to investigate and verify major factors for lateral mode by experiment, and to confirm our thought. Finally, the 5μm mesa ridge laser, 800nm etch depth, with groove structure obtains excellent steady single lateral mode output by 150mA operating current and 30°C temperature. The optical spectrum FWHM is 0.5nm and side mode suppression ratio is 27dBm with uncoated. The laser with 1mm cavity length showed the threshold current of 50mA, a lasing wavelength of λ = 852.6nm, slope efficiency of above 0.7mW/mA. We accomplished single lateral mode of ridge waveguide edge-emitting lasers which can also be used as a laser source in the ultra-narrow linewidth external cavity laser system.

Synthesis and characterization of Mn-Bi alloy

NASA Astrophysics Data System (ADS)

Mishra, Ashutosh; Patil, Harsha; Jain, G.; Mishra, N.

2012-06-01

High purity MnBi low temperature phase has been prepared and analyzed using X-ray diffraction, Lorentz-Polarization Factor and Fourier transforms infrared measurement. After synthesis of samples structural characterization has done on samples by X-ray diffraction, which shows that after making the bulk sample is in no single phase MnBi has been prepared by sintering Mn and Bi powders. By Lorentz-Polarization Factor is affecting the relative intensity of diffraction lines on a powder form. And by FTIR which shows absorption peaks of MnBi alloys.

Allgemeine Sprachfaehigkeit und Fremdsprachenerwerb. Zur Struktur von Leistungsdimensionen und linguistischer Kompetenz des Fremdsprachenlerners (General Language Ability and Foreign Language Acquisition. On the Structure of Performance Dimensions and the Linguistic Competence of the Foreign Language Learner). Diskussions beitraege aus dem Institute fuer Bildungsforschung, No. 1.

ERIC Educational Resources Information Center

Sang, Fritz; Vollmer, Helmut J.

This study investigates the theoretical plausibility and empirical validity of the assumption that all performance in a foreign language can be traced back to a single factor, the general language ability factor. The theoretical background of this hypothesis is reviewed in detail. The concept of a unitary linguistic competence, interpreted as an…

Structural and functional characterization of the product of disease-related factor H gene conversion.

PubMed

Herbert, Andrew P; Kavanagh, David; Johansson, Conny; Morgan, Hugh P; Blaum, Bärbel S; Hannan, Jonathan P; Barlow, Paul N; Uhrín, Dušan

2012-03-06

Numerous complement factor H (FH) mutations predispose patients to atypical hemolytic uremic syndrome (aHUS) and other disorders arising from inadequately regulated complement activation. No unifying structural or mechanistic consequences have been ascribed to these mutants beyond impaired self-cell protection. The S1191L and V1197A mutations toward the C-terminus of FH, which occur in patients singly or together, arose from gene conversion between CFH encoding FH and CFHR1 encoding FH-related 1. We show that neither single nor double mutations structurally perturbed recombinant proteins consisting of the FH C-terminal modules, 19 and 20 (FH19-20), although all three FH19-20 mutants were poor, compared to wild-type FH19-20, at promoting hemolysis of C3b-coated erythrocytes through competition with full-length FH. Indeed, our new crystal structure of the S1191L mutant of FH19-20 complexed with an activation-specific complement fragment, C3d, was nearly identical to that of the wild-type FH19-20:C3d complex, consistent with mutants binding to C3b with wild-type-like affinity. The S1191L mutation enhanced thermal stability of module 20, whereas the V1197A mutation dramatically decreased it. Thus, although mutant proteins were folded at 37 °C, they differ in conformational rigidity. Neither single substitutions nor double substitutions increased measurably the extent of FH19-20 self-association, nor did these mutations significantly affect the affinity of FH19-20 for three glycosaminoglycans, despite critical roles of module 20 in recognizing polyanionic self-surface markers. Unexpectedly, FH19-20 mutants containing Leu1191 self-associated on a heparin-coated surface to a higher degree than on surfaces coated with dermatan or chondroitin sulfates. Thus, potentially disease-related functional distinctions between mutants, and between FH and FH-related 1, may manifest in the presence of specific glycosaminoglycans.

[Not Available].

PubMed

Turcotte, Geneviève; Chamberland, Claire; Lemay, Louise; Sanchez, Isabelle

2016-03-14

MAP (mothers with power) is a program that proposes a comprehensive approach to promote social and professional integration of low income single mothers with children under six years old. Using the results of a qualitative evaluation of the program 's outcomes and the contextual factors that produced them, this article aims to identify the aspects of the program that are the most promising for practise. To assess the program's outcomes, the study uses two monitoring tools and an information sheet on each participant. An in-depth analysis of the connections between the program's outcomes and the contextual factors that produced them is conducted using 16 case studies, a case being defined as the integration path of each participant during the participation in the program. For each case, four data sources were used: in addition to the monitoring tools, semi-structured interviews were conducted with the participants and the case workers at two points in time. Data show positive outcomes of this program. After three years, a majority of participants went back to school, finished high school, started collegial studies or found a job. These outcomes resulted from a set of factors: structuring actions on the life environment, support from an intervention team working closely with the participants and personalized references to programs and services in the community. The results support the relevance of an integrated and comprehensive approach to the social and professional integration of low-income single mothers.

Quantitative Aspects of Communicative Impairment Ascertained in a Large National Survey of Japanese Children

ERIC Educational Resources Information Center

Oi, Manabu; Fujino, Hiroshi; Tsukidate, Naotake; Kamio, Yoko; Yoshimura, Yuko; Kikuchi, Mitsuru; Hasegawa, Chiaki; Gondou, Keiko; Matsui, Tomoko

2017-01-01

The Japanese version of the Children's Communication Checklist-2 (CCC-2) was rated by caregivers in a large national population sample of 22,871 children aged 3-15 years. The General Communication Composite (GCC) of the CCC-2 exhibited a distribution with a single-factor structure. The GCC distribution between autism spectrum disorders (ASD) and…

Low Velocity Impact Damage to Carbon/Epoxy Laminates

NASA Technical Reports Server (NTRS)

Nettles, Alan T.

2011-01-01

Impact damage tends to be more detrimental to a laminate's compression strength as compared to tensile strength. Proper use of Non Destructive Evaluation (NDE) Techniques can remove conservatism (weight) from many structures. Test largest components economically feasible as coupons. If damage tolerance is a driver, then consider different resin systems. Do not use a single knockdown factor to account for damage.

Emergency Management: The Human Factor

DTIC Science & Technology

1986-07-01

familiar exits and assum-e f•aniliar roles. Several recent studies support this important fact. As noted by Bryan (1983): ... the stereotyped accounts of...hardware may further exacerbate these problems. Structurally, the single most significant development to improve coordination would be cczmunity emergency...charges that relief and rehabilitation administration has discriminated against various disadvantaged groups, such as blacks; "* Vested interests, e.g

Alignment error envelopes for single particle analysis.

PubMed

Jensen, G J

2001-01-01

To determine the structure of a biological particle to high resolution by electron microscopy, image averaging is required to combine information from different views and to increase the signal-to-noise ratio. Starting from the number of noiseless views necessary to resolve features of a given size, four general factors are considered that increase the number of images actually needed: (1) the physics of electron scattering introduces shot noise, (2) thermal motion and particle inhomogeneity cause the scattered electrons to describe a mixture of structures, (3) the microscope system fails to usefully record all the information carried by the scattered electrons, and (4) image misalignment leads to information loss through incoherent averaging. The compound effect of factors 2-4 is approximated by the product of envelope functions. The problem of incoherent image averaging is developed in detail through derivation of five envelope functions that account for small errors in 11 "alignment" parameters describing particle location, orientation, defocus, magnification, and beam tilt. The analysis provides target error tolerances for single particle analysis to near-atomic (3.5 A) resolution, and this prospect is shown to depend critically on image quality, defocus determination, and microscope alignment. Copyright 2001 Academic Press.

Impact of sleep difficulty on single and repeated injuries in adolescents.

PubMed

Chau, Kénora

2015-08-01

Injuries are frequent and may be caused by sleep difficulty in youth. This study assessed the impact of sleep difficulty on single and repeated school and out-of-school injuries and the confounding role of socioeconomic factors and school, behaviour and health-related difficulties among adolescents. The study population included 1559 middle-school adolescents from north-eastern France (mean age 13.5, SD 1.3) who completed at the end of school year a self-administered questionnaire to gather school and out-of-school injuries during the school year, and to assess sleep difficulty and previous injury risk factors which were socioeconomic factors (family structure, parents' education, father's occupation, and family income), school performance, obesity, alcohol/tobacco/cannabis/hard drugs use, health status, psychological health, and involvement-in-violence. For sleep difficulty and behaviour and health-related difficulties their first occurring over adolescent's life course was gathered. Multinomial logistic regression models were used retaining only sleep difficulty and other risk factors which had started before the school year (thus before the injuries studied). School and out-of-school injuries and sleep difficulty were frequent. The adolescents with sleep difficulty without medical treatment had a higher risk of single school and out-of-school injuries (gender-age-adjusted odds ratio gaOR 1.86 and 1.76, respectively) and a much higher risk of repeated school and out-of-school injuries (≥2 injuries; gaOR 2.43 and 3.73, respectively). The adolescents with persistent sleep difficulty despite a medical treatment also had a higher risk of single school and out-of-school injury (gaOR 2.31 and 1.78, respectively), and a much higher risk of repeated school and out-of-school injuries (gaOR 4.92 and 4.36, respectively). Socioeconomic factors had a moderate contribution (<27%) while school, behaviour and health-related difficulties had a high contribution (reaching 71%) to the association between sleep difficulty and single/repeated injuries. The role of these factors differed between single/repeated school/out-of-school injuries. Injury prevention should focus on screening and monitoring sleep difficulty and previous difficulties, especially among adolescents with socioeconomic difficulties, via physician-parent-school-adolescent collaborations. Copyright © 2015 Elsevier Ltd. All rights reserved.

ATOMIC RESOLUTION CRYO ELECTRON MICROSCOPY OF MACROMOLECULAR COMPLEXES

PubMed Central

ZHOU, Z. HONG

2013-01-01

Single-particle cryo electron microscopy (cryoEM) is a technique for determining three-dimensional (3D) structures from projection images of molecular complexes preserved in their “native,” noncrystalline state. Recently, atomic or near-atomic resolution structures of several viruses and protein assemblies have been determined by single-particle cryoEM, allowing ab initio atomic model building by following the amino acid side chains or nucleic acid bases identifiable in their cryoEM density maps. In particular, these cryoEM structures have revealed extended arms contributing to molecular interactions that are otherwise not resolved by the conventional structural method of X-ray crystallography at similar resolutions. High-resolution cryoEM requires careful consideration of a number of factors, including proper sample preparation to ensure structural homogeneity, optimal configuration of electron imaging conditions to record high-resolution cryoEM images, accurate determination of image parameters to correct image distortions, efficient refinement and computation to reconstruct a 3D density map, and finally appropriate choice of modeling tools to construct atomic models for functional interpretation. This progress illustrates the power of cryoEM and ushers it into the arsenal of structural biology, alongside conventional techniques of X-ray crystallography and NMR, as a major tool (and sometimes the preferred one) for the studies of molecular interactions in supramolecular assemblies or machines. PMID:21501817

Importance of Relativistic Effects and Electron Correlation in Structure Factors and Electron Density of Diphenyl Mercury and Triphenyl Bismuth.

PubMed

Bučinský, Lukáš; Jayatilaka, Dylan; Grabowsky, Simon

2016-08-25

This study investigates the possibility of detecting relativistic effects and electron correlation in single-crystal X-ray diffraction experiments using the examples of diphenyl mercury (HgPh2) and triphenyl bismuth (BiPh3). In detail, the importance of electron correlation (ECORR), relativistic effects (REL) [distinguishing between total, scalar and spin-orbit (SO) coupling relativistic effects] and picture change error (PCE) on the theoretical electron density, its topology and its Laplacian using infinite order two component (IOTC) wave functions is discussed. This is to develop an understanding of the order of magnitude and shape of these different effects as they manifest in the electron density. Subsequently, the same effects are considered for the theoretical structure factors. It becomes clear that SO and PCE are negligible, but ECORR and scalar REL are important in low- and medium-order reflections on absolute and relative scales-not in the high-order region. As a further step, Hirshfeld atom refinement (HAR) and subsequent X-ray constrained wavefunction (XCW) fitting have been performed for the compound HgPh2 with various relativistic and nonrelativistic wave functions against the experimental structure factors. IOTC calculations of theoretical structure factors and relativistic HAR as well as relativistic XCW fitting are presented for the first time, accounting for both scalar and spin-orbit relativistic effects.

Meta- and statistical analysis of single-case intervention research data: quantitative gifts and a wish list.

PubMed

Kratochwill, Thomas R; Levin, Joel R

2014-04-01

In this commentary, we add to the spirit of the articles appearing in the special series devoted to meta- and statistical analysis of single-case intervention-design data. Following a brief discussion of historical factors leading to our initial involvement in statistical analysis of such data, we discuss: (a) the value added by including statistical-analysis recommendations in the What Works Clearinghouse Standards for single-case intervention designs; (b) the importance of visual analysis in single-case intervention research, along with the distinctive role that could be played by single-case effect-size measures; and (c) the elevated internal validity and statistical-conclusion validity afforded by the incorporation of various forms of randomization into basic single-case design structures. For the future, we envision more widespread application of quantitative analyses, as critical adjuncts to visual analysis, in both primary single-case intervention research studies and literature reviews in the behavioral, educational, and health sciences. Copyright © 2014 Society for the Study of School Psychology. Published by Elsevier Ltd. All rights reserved.

Recognition and characterization of hierarchical interstellar structure. II - Structure tree statistics

NASA Technical Reports Server (NTRS)

Houlahan, Padraig; Scalo, John

1992-01-01

A new method of image analysis is described, in which images partitioned into 'clouds' are represented by simplified skeleton images, called structure trees, that preserve the spatial relations of the component clouds while disregarding information concerning their sizes and shapes. The method can be used to discriminate between images of projected hierarchical (multiply nested) and random three-dimensional simulated collections of clouds constructed on the basis of observed interstellar properties, and even intermediate systems formed by combining random and hierarchical simulations. For a given structure type, the method can distinguish between different subclasses of models with different parameters and reliably estimate their hierarchical parameters: average number of children per parent, scale reduction factor per level of hierarchy, density contrast, and number of resolved levels. An application to a column density image of the Taurus complex constructed from IRAS data is given. Moderately strong evidence for a hierarchical structural component is found, and parameters of the hierarchy, as well as the average volume filling factor and mass efficiency of fragmentation per level of hierarchy, are estimated. The existence of nested structure contradicts models in which large molecular clouds are supposed to fragment, in a single stage, into roughly stellar-mass cores.

The study of H. pylori putative candidate factors for single- and multi-component vaccine development.

PubMed

Mirzaei, Nasrin; Poursina, Farkhondeh; Moghim, Sharareh; Rashidi, Niloufar; Ghasemian Safaei, Hajieh

2017-09-01

Helicobacter pylori has grown to colonize inside the stomach of nearly half of the world's population, turning into the most prevalent infections in the universe. Medical care failures noticeably confirm the need for a vaccine to hinder or deal with H. pylori. This review is planned to discuss the most known factors as a vaccine candidate, including single (AhpC, BG, CagA, KatA, Fla, Hsp, HWC, Lpp, LPS, NAP, OMP, OMV, SOD, Tpx, Urease, VacA) and multi-component vaccines. Many promising results in the field of single and multivalent vaccine can be seen, but there is no satisfactory outcome and neither a prophylactic nor a therapeutic vaccine to treat or eradicate the infection in human has been acquired. Hence, selecting suitable antigen is an important factor as an appropriate adjuvant. Taken all together, the development of efficient anti-H. pylori vaccines relies on the fully understanding of the interactions between H. pylori and its host immune system. Therefore, more work should be done on epitope mapping, analysis of molecular structure, and determination of the antigen determinant region as well due to design a vaccine, preferably a multi-component vaccine to elicit specific CD4 T-cell responses that are required for H. pylori vaccine efficacy.

Children's dental fear and anxiety: exploring family related factors.

PubMed

Wu, Lingli; Gao, Xiaoli

2018-06-04

Dental fear and anxiety (DFA) is a major issue affecting children's oral health and clinical management. This study investigates the association between children's DFA and family related factors, including parents' DFA, parenting styles, family structure (nuclear or single-parent family), and presence of siblings. A total of 405 children (9-13 years old) and their parents were recruited from 3 elementary schools in Hong Kong. Child's demographic and family-related information was collected through a questionnaire. Parents' and child's DFA were measured by using the Corah Dental Anxiety Scale (CDAS) and Children Fear Survey Schedule-Dental Subscale (CFSS-DS), respectively. Parenting styles were gauged by using the Parent Authority Questionnaire (PAQ). DFA was reported by 33.1% of children. The mean (SD) CFSS-DS score was 29.1 (11.0). Children with siblings tended to report DFA (37.0% vs. 24.1%; p = 0.034) and had a higher CFSS-DS score (29.9 vs. 27.4; p = 0.025) as compared with their counterpart. Children from single-parent families had lower CFSS-DS score as compared with children from nuclear families (β = - 9.177; p = 0.029). Subgroup analysis showed a higher CFSS-DS score among boys with siblings (β = 7.130; p = 0.010) as compared with their counterpart; girls' from single-parent families had a lower CFSS-DS score (β = - 13.933; p = 0.015) as compared with girls from nuclear families. Children's DFA was not associated with parents' DFA or parenting styles (p > 0.05). Family structure (nuclear or single-parent family) and presence of siblings are significant determinants for children's DFA. Parental DFA and parenting style do not affect children's DFA significantly.

Methodology for the structural design of single spoke accelerating cavities at Fermilab

DOE PAGES

Passarelli, Donato; Wands, Robert H.; Merio, Margherita; ...

2016-10-01

Fermilab is planning to upgrade its accelerator complex to deliver a more powerful and intense proton-beam for neutrino experiments. In the framework of the so-called Proton Improvement Plan-II (PIP-II), we are designing and developing a cryomodule containing superconducting accelerating cavities, the Single Spoke Resonators of type 1 (SSR1). In this paper, we present the sequence of analysis and calculations performed for the structural de- sign of these cavities, using the rules of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). The lack of an accepted procedure for addressing the design, fabrication, and inspection of suchmore » unique pressure vessels makes the task demanding and challenging every time. Several factors such as exotic materials, unqualified brazing procedures, limited nondestructive examination, and the general R&D nature of these early generations of cavity design, conspire to make it impractical to obtain full compliance with all ASME BPVC requirements. However, the presented approach allowed us to validate the design of these new generation of single spoke cavities with values of maximum allowable working pressure that exceed the safety requirements. This set of rules could be used as a starting point for the structural design and development of similar objects.« less

Methodology for the structural design of single spoke accelerating cavities at Fermilab

NASA Astrophysics Data System (ADS)

Passarelli, Donato; Wands, Robert H.; Merio, Margherita; Ristori, Leonardo

2016-10-01

Fermilab is planning to upgrade its accelerator complex to deliver a more powerful and intense proton-beam for neutrino experiments. In the framework of the so-called Proton Improvement Plan-II (PIP-II), we are designing and developing a cryomodule containing superconducting accelerating cavities, the Single Spoke Resonators of type 1 (SSR1). In this paper, we present the sequence of analysis and calculations performed for the structural design of these cavities, using the rules of the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC). The lack of an accepted procedure for addressing the design, fabrication, and inspection of such unique pressure vessels makes the task demanding and challenging every time. Several factors such as exotic materials, unqualified brazing procedures, limited nondestructive examination, and the general R&D nature of these early generations of cavity design, conspire to make it impractical to obtain full compliance with all ASME BPVC requirements. However, the presented approach allowed us to validate the design of this new generation of single spoke cavities with values of maximum allowable working pressure that exceeds the safety requirements. This set of rules could be used as a starting point for the structural design and development of similar objects.

Single-Mode Near-Infrared Lasing in a GaAsSb-Based Nanowire Superlattice at Room Temperature.

PubMed

Ren, Dingding; Ahtapodov, Lyubomir; Nilsen, Julie S; Yang, Jianfeng; Gustafsson, Anders; Huh, Junghwan; Conibeer, Gavin J; van Helvoort, Antonius T J; Fimland, Bjørn-Ove; Weman, Helge

2018-04-11

Semiconductor nanowire lasers can produce guided coherent light emission with miniaturized geometry, bringing about new possibilities for a variety of applications including nanophotonic circuits, optical sensing, and on-chip and chip-to-chip optical communications. Here, we report on the realization of single-mode and room-temperature lasing from 890 to 990 nm, utilizing a novel design of single nanowires with GaAsSb-based multiple axial superlattices as a gain medium under optical pumping. The control of lasing wavelength via compositional tuning with excellent room-temperature lasing performance is shown to result from the unique nanowire structure with efficient gain material, which delivers a low lasing threshold of ∼6 kW/cm 2 (75 μJ/cm 2 per pulse), a lasing quality factor as high as 1250, and a high characteristic temperature of ∼129 K. These results present a major advancement for the design and synthesis of nanowire laser structures, which can pave the way toward future nanoscale integrated optoelectronic systems with superior performance.

Fundamental quantum noise mapping with tunnelling microscopes tested at surface structures of subatomic lateral size.

PubMed

Herz, Markus; Bouvron, Samuel; Ćavar, Elizabeta; Fonin, Mikhail; Belzig, Wolfgang; Scheer, Elke

2013-10-21

We present a measurement scheme that enables quantitative detection of the shot noise in a scanning tunnelling microscope while scanning the sample. As test objects we study defect structures produced on an iridium single crystal at low temperatures. The defect structures appear in the constant current images as protrusions with curvature radii well below the atomic diameter. The measured power spectral density of the noise is very near to the quantum limit with Fano factor F = 1. While the constant current images show detailed structures expected for tunnelling involving d-atomic orbitals of Ir, we find the current noise to be without pronounced spatial variation as expected for shot noise arising from statistically independent events.

Factor analysis and Mokken scaling of the Organizational Commitment Questionnaire in nurses.

PubMed

Al-Yami, M; Galdas, P; Watson, R

2018-03-22

To generate an Arabic version of the Organizational Commitment Questionnaire that would be easily understood by Arabic speakers and would be sensitive to Arabic culture. The nursing workforce in Saudi Arabia is undergoing a process of Saudization but there is a need to understand the factors that will help to retain this workforce. No organizational commitment tools exist in Arabic that are specifically designed for health organizations. An Arabic version of the organizational commitment tool could aid Arabic speaking employers to understand their employees' perceptions of their organizations. Translation and back-translation followed by factor analysis (principal components analysis and confirmatory factor analysis) to test the factorial validity and item response theory (Mokken scaling). A two-factor structure was obtained for the Organizational Commitment Questionnaire comprising Factor 1: Value commitment; and Factor 2: Commitment to stay with acceptable reliability measured by internal consistency. A Mokken scale was obtained including items from both factors showing a hierarchy of items running from commitment to the organization and commitment to self. This study shows that the Arabic version of the OCQ retained the established two-factor structure of the original English-language version. Although the two factors - 'value commitment' and 'commitment to stay' - repudiate the original developers' single factor claim. A useful insight into the structure of the Organizational Commitment Questionnaire has been obtained with the novel addition of a hierarchical scale. The Organizational Commitment Questionnaire is now ready to be used with nurses in the Arab speaking world and could be used a tool to measure the contemporary commitment of nursing employees and in future interventions aimed at increasing commitment and retention of valuable nursing staff. © 2018 International Council of Nurses.

Self-Criticism: A Measure of Uncompassionate Behaviors Toward the Self, Based on the Negative Components of the Self-Compassion Scale.

PubMed

Montero-Marín, Jesús; Gaete, Jorge; Demarzo, Marcelo; Rodero, Baltasar; Lopez, Luiz C Serrano; García-Campayo, Javier

2016-01-01

The use of the Self-Compassion Scale (SCS) as a single measure has been pointed out as problematic by many authors and its originally proposed structure has repeatedly been called into question. The negative facets of this construct are more strongly related to psychopathology than the positive indicators. The aim of this study was to evaluate and compare the different structures proposed for the SCS, including a new measure based only on the negative factors, and to assess the psychometric features of the more plausible solution. The study employed a cross-sectional and cross-cultural design. A sample of Brazilian (n = 406) and Spanish (n = 416) primary care professionals completed the SCS, and other questionnaires to measure psychological health-related variables. The SCS factor structure was estimated using confirmatory factor analysis by the maximum likelihood method. Internal consistency was assessed by squaring the correlation between the latent true variable and the observed variables. The relationships between the SCS and other constructs were analyzed using Spearman's r s . The structure with the best fit was comprised of the three negative first-order factors of "self-judgment", "isolation" and "over-identification", and one negative second-order factor, which has been named "self-criticism" [CFI = 0.92; RMSEA = 0.06 (90% CI = 0.05-0.07); SRMR = 0.05]. This solution was supported by both samples, presented partial metric invariance [CFI = 0.91; RMSEA = 0.06 (90% CI = 0.05-0.06); SRMR = 0.06], and showed significant correlations with other health-related psychological constructs. Reliability was adequate for all the dimensions (R ≥ 0.70). The original structure proposed for the SCS was not supported by the data. Self-criticism, comprising only the negative SCS factors, might be a measure of uncompassionate behaviors toward the self, with good psychometric properties and practical implications from a clinical point of view, reaching a stable structure and overcoming possible methodological artifacts.

Characterising the latent structure and organisation of self-reported thoughts, feelings and behaviours in adolescents and young adults

PubMed Central

Neufeld, Sharon; Jones, Peter B.; Fonagy, Peter; Bullmore, Edward T.; Dolan, Raymond J.; Moutoussis, Michael; Toseeb, Umar; Goodyer, Ian M.

2017-01-01

Little is known about the underlying relationships between self-reported mental health items measuring both positive and negative emotional and behavioural symptoms at the population level in young people. Improved measurement of the full range of mental well-being and mental illness may aid in understanding the aetiological substrates underlying the development of both mental wellness as well as specific psychiatric diagnoses. A general population sample aged 14 to 24 years completed self-report questionnaires on anxiety, depression, psychotic-like symptoms, obsessionality and well-being. Exploratory and confirmatory factor models for categorical data and latent profile analyses were used to evaluate the structure of both mental wellness and illness items. First order, second order and bifactor structures were evaluated on 118 self-reported items obtained from 2228 participants. A bifactor solution was the best fitting latent variable model with one general latent factor termed ‘distress’ and five ‘distress independent’ specific factors defined as self-confidence, antisocial behaviour, worry, aberrant thinking, and mood. Next, six distinct subgroups were derived from a person-centred latent profile analysis of the factor scores. Finally, concurrent validity was assessed using information on hazardous behaviours (alcohol use, substance misuse, self-harm) and treatment for mental ill health: both discriminated between the latent traits and latent profile subgroups. The findings suggest a complex, multidimensional mental health structure in the youth population rather than the previously assumed first or second order factor structure. Additionally, the analysis revealed a low hazardous behaviour/low mental illness risk subgroup not previously described. Population sub-groups show greater validity over single variable factors in revealing mental illness risks. In conclusion, our findings indicate that the structure of self reported mental health is multidimensional in nature and uniquely finds improved prediction to mental illness risk within person-centred subgroups derived from the multidimensional latent traits. PMID:28403164

Characterising the latent structure and organisation of self-reported thoughts, feelings and behaviours in adolescents and young adults.

PubMed

St Clair, Michelle C; Neufeld, Sharon; Jones, Peter B; Fonagy, Peter; Bullmore, Edward T; Dolan, Raymond J; Moutoussis, Michael; Toseeb, Umar; Goodyer, Ian M

2017-01-01

Little is known about the underlying relationships between self-reported mental health items measuring both positive and negative emotional and behavioural symptoms at the population level in young people. Improved measurement of the full range of mental well-being and mental illness may aid in understanding the aetiological substrates underlying the development of both mental wellness as well as specific psychiatric diagnoses. A general population sample aged 14 to 24 years completed self-report questionnaires on anxiety, depression, psychotic-like symptoms, obsessionality and well-being. Exploratory and confirmatory factor models for categorical data and latent profile analyses were used to evaluate the structure of both mental wellness and illness items. First order, second order and bifactor structures were evaluated on 118 self-reported items obtained from 2228 participants. A bifactor solution was the best fitting latent variable model with one general latent factor termed 'distress' and five 'distress independent' specific factors defined as self-confidence, antisocial behaviour, worry, aberrant thinking, and mood. Next, six distinct subgroups were derived from a person-centred latent profile analysis of the factor scores. Finally, concurrent validity was assessed using information on hazardous behaviours (alcohol use, substance misuse, self-harm) and treatment for mental ill health: both discriminated between the latent traits and latent profile subgroups. The findings suggest a complex, multidimensional mental health structure in the youth population rather than the previously assumed first or second order factor structure. Additionally, the analysis revealed a low hazardous behaviour/low mental illness risk subgroup not previously described. Population sub-groups show greater validity over single variable factors in revealing mental illness risks. In conclusion, our findings indicate that the structure of self reported mental health is multidimensional in nature and uniquely finds improved prediction to mental illness risk within person-centred subgroups derived from the multidimensional latent traits.

From single Debye-Hückel chains to polyelectrolyte solutions: Simulation results

NASA Astrophysics Data System (ADS)

Kremer, Kurt

1996-03-01

This lecture will present results from simulations of single weakly charged flexible chains, where the electrostatic part of the interaction is modeled by a Debye-Hückel potential,( with U. Micka, IFF, Forschungszentrum Jülich, 52425 Jülich, Germany) as well as simulations of polyelectrolyte solutions, where the counterions are explicitly taken into account( with M. J. Stevens, Sandia Nat. Lab., Albuquerque, NM 87185-1111) ( M. J. Stevens, K. Kremer, JCP 103), 1669 (1995). The first set of the simulations is meant to clear a recent contoversy on the dependency of the persistence length LP on the screening length Γ. While the analytic theories give Lp ~ Γ^x with either x=1 or x=2, the simulations find for all experimentally accessible chain lengths a varying exponent, which is significantly smaller than 1. This causes serious doubts on the applicability of this model for weakly charged polyelectrolytes in general. The second part deals with strongly charged flexible polyelectrolytes in salt free solution. These simulations are performed for multichain systems. The full Coulomb interactions of the monomers and counterions are treated explicitly. Experimental measurements of the osmotic pressure and the structure factor are reproduced and extended. The simulations reveal a new picture of the chain structure based on calculations of the structure factor, persistence length, end-to-end distance, etc. Even at very low density, the chains show significant bending. Furthermore, the chains contract significantly before they start to overlap. We also show that counterion condensation dramatically alters the chain structure, even for a good solvent backbone.

An integrated 3-Dimensional Genome Modeling Engine for data-driven simulation of spatial genome organization.

PubMed

Szałaj, Przemysław; Tang, Zhonghui; Michalski, Paul; Pietal, Michal J; Luo, Oscar J; Sadowski, Michał; Li, Xingwang; Radew, Kamen; Ruan, Yijun; Plewczynski, Dariusz

2016-12-01

ChIA-PET is a high-throughput mapping technology that reveals long-range chromatin interactions and provides insights into the basic principles of spatial genome organization and gene regulation mediated by specific protein factors. Recently, we showed that a single ChIA-PET experiment provides information at all genomic scales of interest, from the high-resolution locations of binding sites and enriched chromatin interactions mediated by specific protein factors, to the low resolution of nonenriched interactions that reflect topological neighborhoods of higher-order chromosome folding. This multilevel nature of ChIA-PET data offers an opportunity to use multiscale 3D models to study structural-functional relationships at multiple length scales, but doing so requires a structural modeling platform. Here, we report the development of 3D-GNOME (3-Dimensional Genome Modeling Engine), a complete computational pipeline for 3D simulation using ChIA-PET data. 3D-GNOME consists of three integrated components: a graph-distance-based heat map normalization tool, a 3D modeling platform, and an interactive 3D visualization tool. Using ChIA-PET and Hi-C data derived from human B-lymphocytes, we demonstrate the effectiveness of 3D-GNOME in building 3D genome models at multiple levels, including the entire genome, individual chromosomes, and specific segments at megabase (Mb) and kilobase (kb) resolutions of single average and ensemble structures. Further incorporation of CTCF-motif orientation and high-resolution looping patterns in 3D simulation provided additional reliability of potential biologically plausible topological structures. © 2016 Szałaj et al.; Published by Cold Spring Harbor Laboratory Press.

[Structure and Family Type in Patients With Substance Abuse or Dependence Psychoactive Rehabilitation Center of Addiction in the Municipality of Chia Cundinamarca].

PubMed

Vargas Navarro, Pedro; Parra Vera, Mario Danilo; Arévalo Zamora, Caterín; Cifuentes Gaitán, Luisa Karen; Valero Carvajal, Jaime; Sierra de Jaramillo, Margarita

2015-01-01

To determine the family type, family structure in a group of patients with a diagnosis of substance abuse or dependence who were at a rehabilitation center for addiction during the period between August and October 2009. Through a descriptive qualitative-interpretative methodology 10 patients who met inclusion criteria for substance dependence or abuse were studied. The fieldwork and transcripts were made for three months by non-participant observation, non-structured interviews and examination of patients' clinical history. Seven of the families interviewed were single-parent families with an unconventional organization on "gender roles". Single-parent families favored loneliness, difficulty in rule-setting, de-idealization of the place of the father in the family structure and a constant search for complicity. In the analysis by categories, we found that in 10 families in the study of individuals with addictions it is common to find family structure characteristics such as inadequate communication, lack of authority rules and limits, presence of triangulations, the lack of cohesion due to the existence of a disconnected relationship pattern and changed roles compared to conventional gender. The search for the affection of the mother at her emotional overload absence of roles and lack of father, raised by the separation of the couple, was found as an essential aspect underlying the addictive behavior. A pattern of parental abandonment is configured. The findings confirmed what has been mentioned by various authors regarding the characteristics of the family typology structure and personal factors in patients with addictions, in addition to their need for affection combined with the desire for the mother's presence. The family typology does not determine for itself the abuse of psychoactive substances, but the influence of other factors such as family structure, especially deficient affective interactions, which should be considered in the development of therapeutic strategies. Copyright © 2014 Asociación Colombiana de Psiquiatría. Publicado por Elsevier España. All rights reserved.

Single crystal CVD diamond membranes for betavoltaic cells

NASA Astrophysics Data System (ADS)

Delfaure, C.; Pomorski, M.; de Sanoit, J.; Bergonzo, P.; Saada, S.

2016-06-01

A single crystal diamond large area thin membrane was assembled as a p-doped/Intrinsic/Metal (PIM) structure and used in a betavoltaic configuration. When tested with a 20 keV electron beam from a high resolution scanning electron microscope, we measured an open circuit voltage (Voc) of 1.85 V, a charge collection efficiency (CCE) of 98%, a fill-factor of 80%, and a total conversion efficiency of 9.4%. These parameters are inherently linked to the diamond membrane PIM structure that allows full device depletion even at 0 V and are among the highest reported up to now for any other material tested for betavoltaic devices. It enables to drive a high short-circuit current Isc up to 7.12 μA, to reach a maximum power Pmax of 10.48 μW, a remarkable value demonstrating the high-benefit of diamond for the realization of long-life radioisotope based micro-batteries.

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

Patrick, Aaron N.; Cabrera, Joshua H.; Smith, Anna L.

SIX1 interacts with EYA to form a bipartite transcription factor essential for mammalian development. Loss of function of this complex causes branchio-oto-renal (BOR) syndrome, whereas re-expression of SIX1 or EYA promotes metastasis. Here we describe the 2.0-Å structure of SIX1 bound to EYA2, which suggests a new DNA-binding mechanism for SIX1 and provides a rationale for the effect of BOR syndrome mutations. The structure also reveals that SIX1 uses predominantly a single helix to interact with EYA. Substitution of a single amino acid in this helix is sufficient to disrupt SIX1-EYA interaction, SIX1-mediated epithelial-mesenchymal transition and metastasis in mouse models.more » Given that SIX1 and EYA are overexpressed in many tumor types, our data indicate that targeting the SIX1–EYA complex may be a potent approach to inhibit tumor progression in multiple cancer types.« less

Parenting Practices as Predictors of Substance Use, Delinquency, and Aggression Among Urban Minority Youth: Moderating Effects of Family Structure and Gender

PubMed Central

Griffin, Kenneth W.; Botvin, Gilbert J.; Scheier, Lawrence M.; Diaz, Tracy; Miller, Nicole L.

2014-01-01

This study examined how parenting factors were associated with adolescent problem behaviors among urban minority youth and to what extent these relationships were moderated by family structure and gender. Sixth-grade students (N = 228) reported how often they use alcohol, smoke cigarettes, or engage in aggressive or delinquent behaviors; a parent or guardian reported their monitoring and other parenting practices. Findings indicated that boys and those from single-parent families engaged in the highest rates of problem behavior. More parental monitoring was associated with less delinquency overall, as well as less drinking in boys only. Eating family dinners together was associated with less aggression overall, as well as less delinquency in youth from single-parent families and in girls. Unsupervised time at home alone was associated with more smoking for girls only. Implications for prevention interventions are discussed. PMID:10860116

Efficiency Improvement Using Molybdenum Disulphide Interlayers in Single-Wall Carbon Nanotube/Silicon Solar Cells.

PubMed

Alzahly, Shaykha; Yu, LePing; Shearer, Cameron J; Gibson, Christopher T; Shapter, Joseph G

2018-04-21

Molybdenum disulphide (MoS₂) is one of the most studied and widely applied nanomaterials from the layered transition-metal dichalcogenides (TMDs) semiconductor family. MoS₂ has a large carrier diffusion length and a high carrier mobility. Combining a layered structure of single-wall carbon nanotube (SWCNT) and MoS₂ with n-type silicon (n-Si) provided novel SWCNT/n-Si photovoltaic devices. The solar cell has a layered structure with Si covered first by a thin layer of MoS₂ flakes and then a SWCNT film. The films were examined using scanning electron microscopy, atomic force microscopy and Raman spectroscopy. The MoS₂ flake thickness ranged from 5 to 90 nm while the nanosheet’s lateral dimensions size ranged up to 1 μm². This insertion of MoS₂ improved the photoconversion efficiency (PCE) of the SWCNT/n-Si solar cells by approximately a factor of 2.

Can tokamaks PFC survive a single event of any plasma instabilities?

NASA Astrophysics Data System (ADS)

Hassanein, A.; Sizyuk, V.; Miloshevsky, G.; Sizyuk, T.

2013-07-01

Plasma instability events such as disruptions, edge-localized modes (ELMs), runaway electrons (REs), and vertical displacement events (VDEs) are continued to be serious events and most limiting factors for successful tokamak reactor concept. The plasma-facing components (PFCs), e.g., wall, divertor, and limited surfaces of a tokamak as well as coolant structure materials are subjected to intense particle and heat loads and must maintain a clean and stable surface environment among them and the core/edge plasma. Typical ITER transient events parameters are used for assessing the damage from these four different instability events. HEIGHTS simulation showed that a single event of a disruption, giant ELM, VDE, or RE can cause significant surface erosion (melting and vaporization) damage to PFC, nearby components, and/or structural materials (VDE, RE) melting and possible burnout of coolant tubes that could result in shut down of reactor for extended repair time.

Simulations of single-particle imaging of hydrated proteins with x-ray free-electron lasers

NASA Astrophysics Data System (ADS)

Fortmann-Grote, C.; Bielecki, J.; Jurek, Z.; Santra, R.; Ziaja-Motyka, B.; Mancuso, A. P.

2017-08-01

We employ start-to-end simulations to model coherent diffractive imaging of single biomolecules using x-ray free electron lasers. This technique is expected to yield new structural information about biologically relevant macromolecules thanks to the ability to study the isolated sample in its natural environment as opposed to crystallized or cryogenic samples. The effect of the solvent on the diffraction pattern and interpretability of the data is an open question. We present first results of calculations where the solvent is taken into account explicitly. They were performed with a molecular dynamics scheme for a sample consisting of a protein and a hydration layer of varying thickness. Through R-factor analysis of the simulated diffraction patterns from hydrated samples, we show that the scattering background from realistic hydration layers of up to 3 Å thickness presents no obstacle for the resolution of molecular structures at the sub-nm level.

Confirmatory Factor Analysis of the Minnesota Nicotine Withdrawal Scale

PubMed Central

Toll, Benjamin A.; O’Malley, Stephanie S.; McKee, Sherry A.; Salovey, Peter; Krishnan-Sarin, Suchitra

2008-01-01

The authors examined the factor structure of the Minnesota Nicotine Withdrawal Scale (MNWS) using confirmatory factor analysis in clinical research samples of smokers trying to quit (n = 723). Three confirmatory factor analytic models, based on previous research, were tested with each of the 3 study samples at multiple points in time. A unidimensional model including all 8 MNWS items was found to be the best explanation of the data. This model produced fair to good internal consistency estimates. Additionally, these data revealed that craving should be included in the total score of the MNWS. Factor scores derived from this single-factor, 8-item model showed that increases in withdrawal were associated with poor smoking outcome for 2 of the clinical studies. Confirmatory factor analyses of change scores showed that the MNWS symptoms cohere as a syndrome over time. Future investigators should report a total score using all of the items from the MNWS. PMID:17563141

Atomic Source of Single Photons in the Telecom Band

NASA Astrophysics Data System (ADS)

Dibos, A. M.; Raha, M.; Phenicie, C. M.; Thompson, J. D.

2018-06-01

Single atoms and atomlike defects in solids are ideal quantum light sources and memories for quantum networks. However, most atomic transitions are in the ultraviolet-visible portion of the electromagnetic spectrum, where propagation losses in optical fibers are prohibitively large. Here, we observe for the first time the emission of single photons from a single Er3 + ion in a solid-state host, whose optical transition at 1.5 μ m is in the telecom band, allowing for low-loss propagation in optical fiber. This is enabled by integrating Er3 + ions with silicon nanophotonic structures, which results in an enhancement of the photon emission rate by a factor of more than 650. Dozens of distinct ions can be addressed in a single device, and the splitting of the lines in a magnetic field confirms that the optical transitions are coupled to the electronic spin of the Er3 + ions. These results are a significant step towards long-distance quantum networks and deterministic quantum logic for photons based on a scalable silicon nanophotonics architecture.

The social and community opportunities profile social inclusion measure: Structural equivalence and differential item functioning in community mental health residents in Hong Kong and the United Kingdom.

PubMed

Huxley, Peter John; Chan, Kara; Chiu, Marcus; Ma, Yanni; Gaze, Sarah; Evans, Sherrill

2016-03-01

China's future major health problem will be the management of chronic diseases - of which mental health is a major one. An instrument is needed to measure mental health inclusion outcomes for mental health services in Hong Kong and mainland China as they strive to promote a more inclusive society for their citizens and particular disadvantaged groups. To report on the analysis of structural equivalence and item differentiation in two mentally unhealthy and one healthy sample in the United Kingdom and Hong Kong. The mental health sample in Hong Kong was made up of non-governmental organisation (NGO) referrals meeting the selection/exclusion criteria (being well enough to be interviewed, having a formal psychiatric diagnosis and living in the community). A similar sample in the United Kingdom meeting the same selection criteria was obtained from a community mental health organisation, equivalent to the NGOs in Hong Kong. Exploratory factor analysis and logistic regression were conducted. The single-variable, self-rated 'overall social inclusion' differs significantly between all of the samples, in the way we would expect from previous research, with the healthy population feeling more included than the serious mental illness (SMI) groups. In the exploratory factor analysis, the first two factors explain between a third and half of the variance, and the single variable which enters into all the analyses in the first factor is having friends to visit the home. All the regression models were significant; however, in Hong Kong sample, only one-fifth of the total variance is explained. The structural findings imply that the social and community opportunities profile-Chinese version (SCOPE-C) gives similar results when applied to another culture. As only one-fifth of the variance of 'overall inclusion' was explained in the Hong Kong sample, it may be that the instrument needs to be refined using different or additional items within the structural domains of inclusion. © The Author(s) 2015.

Associations between Ectomycorrhizal Fungi and Bacterial Needle Endophytes in Pinus radiata: Implications for Biotic Selection of Microbial Communities

PubMed Central

Rúa, Megan A.; Wilson, Emily C.; Steele, Sarah; Munters, Arielle R.; Hoeksema, Jason D.; Frank, Anna C.

2016-01-01

Studies of the ecological and evolutionary relationships between plants and their associated microbes have long been focused on single microbes, or single microbial guilds, but in reality, plants associate with a diverse array of microbes from a varied set of guilds. As such, multitrophic interactions among plant-associated microbes from multiple guilds represent an area of developing research, and can reveal how complex microbial communities are structured around plants. Interactions between coniferous plants and their associated microbes provide a good model system for such studies, as conifers host a suite of microorganisms including mutualistic ectomycorrhizal (ECM) fungi and foliar bacterial endophytes. To investigate the potential role ECM fungi play in structuring foliar bacterial endophyte communities, we sampled three isolated, native populations of Monterey pine (Pinus radiata), and used constrained analysis of principal coordinates to relate the community matrices of the ECM fungi and bacterial endophytes. Our results suggest that ECM fungi may be important factors for explaining variation in bacterial endophyte communities but this effect is influenced by population and environmental characteristics, emphasizing the potential importance of other factors — biotic or abiotic — in determining the composition of bacterial communities. We also classified ECM fungi into categories based on known fungal traits associated with substrate exploration and nutrient mobilization strategies since variation in these traits allows the fungi to acquire nutrients across a wide range of abiotic conditions and may influence the outcome of multi-species interactions. Across populations and environmental factors, none of the traits associated with fungal foraging strategy types significantly structured bacterial assemblages, suggesting these ECM fungal traits are not important for understanding endophyte-ECM interactions. Overall, our results suggest that both biotic species interactions and environmental filtering are important for structuring microbial communities but emphasize the need for more research into these interactions. PMID:27065966

Confirmatory factor analysis of 2 versions of the Brief Pain Inventory in an ambulatory population indicates that sleep interference should be interpreted separately.

PubMed

Walton, David M; Putos, Joseph; Beattie, Tyler; MacDermid, Joy C

2016-07-01

The Brief Pain Inventory (BPI-SF) is a widely-used generic pain interference scale, however its factor structure remains unclear. An expanded 10-item version of the Interference subscale has been proposed, but the additional value of the 3 extra items has not been rigorously evaluated. The purpose of this study was to evaluate and contrast the factorial and concurrent validity of the original 7-item and 10-item versions of the BPI-SF in a large heterogeneous sample of patients with chronic pain. Exploratory and confirmatory factor analyses were conducted on independent subsets of the sample, and concurrent correlations with scales capturing similar constructs were evaluated. Two independent exploratory factor analyses (n=500 each) supported a single interference factor in both the 7- and 10-item versions, while confirmatory factor analysis (N=1000) suggested that a 2-factor structure (Physical and Affective) provided better fit. A 3-factor model, where sleep interference was the third factor, improved in model fit further. There was no significant difference in model fit between the 7- and 10-item versions. Concurrent associations with measures of general health, pain intensity and pain-related cognitions were all in the anticipated direction and magnitude and were not different by version of the BPI-SF. The addition of 3 extra items to the original 7-item Interference subscale of the BPI-SF did not improve psychometric properties. The combined results lead us to endorse a 3-factor structure (Physical, Affective, and Sleep Interference) as the more statistically and conceptually sound option. Copyright © 2016 Scandinavian Association for the Study of Pain. Published by Elsevier B.V. All rights reserved.

The Custodial Parent-Child Relationship as a Mediating Factor in the Effects of Divorce on Children.

ERIC Educational Resources Information Center

Rasmussen, Janis Carol

Hess and Camara (1979) have shown that it is post-divorce family functioning, rather than family structure, that is most important in influencing the effects of divorce on children. A child's adjustment to divorce should be viewed as a developmental process rather than as a single event. Consequently, it is important to focus on the ways in which…

CGC factorization for forward particle production in proton-nucleus collisions at next-to-leading order

DOE PAGES

Iancu, E.; Mueller, A. H.; Triantafyllopoulos, D. N.

2016-12-13

Within the Color Glass Condensate effective theory, we reconsider the next-to-leading order (NLO) calculation of the single inclusive particle production at forward rapidities in proton-nucleus collisions at high energy. Focusing on quark production for definiteness, we establish a new factorization scheme, perturbatively correct through NLO, in which there is no ‘rapidity subtraction’. That is, the NLO correction to the impact factor is not explicitly separated from the high-energy evolution. Our construction exploits the skeleton structure of the (NLO) Balitsky-Kovchegov equation, in which the first step of the evolution is explicitly singled out. The NLO impact factor is included by computingmore » this first emission with the exact kinematics for the emitted gluon, rather than by using the eikonal approximation. This particular calculation has already been presented in the literature, but the reorganization of the perturbation theory that we propose is new. As compared to the proposal in, our scheme is free of the fine-tuning inherent in the rapidity subtraction, which might be the origin of the negativity of the NLO cross-section observed in previous studies.« less

Correlation of RNA secondary structure statistics with thermodynamic stability and applications to folding.

PubMed

Wu, Johnny C; Gardner, David P; Ozer, Stuart; Gutell, Robin R; Ren, Pengyu

2009-08-28

The accurate prediction of the secondary and tertiary structure of an RNA with different folding algorithms is dependent on several factors, including the energy functions. However, an RNA higher-order structure cannot be predicted accurately from its sequence based on a limited set of energy parameters. The inter- and intramolecular forces between this RNA and other small molecules and macromolecules, in addition to other factors in the cell such as pH, ionic strength, and temperature, influence the complex dynamics associated with transition of a single stranded RNA to its secondary and tertiary structure. Since all of the factors that affect the formation of an RNAs 3D structure cannot be determined experimentally, statistically derived potential energy has been used in the prediction of protein structure. In the current work, we evaluate the statistical free energy of various secondary structure motifs, including base-pair stacks, hairpin loops, and internal loops, using their statistical frequency obtained from the comparative analysis of more than 50,000 RNA sequences stored in the RNA Comparative Analysis Database (rCAD) at the Comparative RNA Web (CRW) Site. Statistical energy was computed from the structural statistics for several datasets. While the statistical energy for a base-pair stack correlates with experimentally derived free energy values, suggesting a Boltzmann-like distribution, variation is observed between different molecules and their location on the phylogenetic tree of life. Our statistical energy values calculated for several structural elements were utilized in the Mfold RNA-folding algorithm. The combined statistical energy values for base-pair stacks, hairpins and internal loop flanks result in a significant improvement in the accuracy of secondary structure prediction; the hairpin flanks contribute the most.

How do Swedish day center attendees with psychiatric disabilities view their worker role? A structural equation modeling study.

PubMed

Eklund, Mona; Bäckström, Martin; Bejerholm, Ulrika

2018-05-01

To investigate how day center attendees with psychiatric disabilities perceived their worker role and the importance of current work situation and personal factors in that respect. Two-hundred attendees completed the Worker Role Self-assessment and questionnaires addressing possible predictors of the worker role: current employment situation, satisfaction with that situation, and a personal factor (encompassing self-esteem, self-mastery and engagement). Structural equation modeling was used. A model indicated two worker role factors; belief in a future worker role (WR1) and current capacities and routines (WR2). WR1 was positively influenced by having a job, younger age and the personal factor. Satisfaction with current work situation (usually unemployment) was negatively associated with WR1. The personal factor was single predictor of WR2. The attendees rated WR2 more positively than WR1. The personal factor was crucial for both WR1 and WR2. Work-related factors were only important for WR1. The more negative rating of belief in a future worker role may be interpreted as mistrust in the services. The attendees' positive ratings of capacities indicate, however, that they had a rehabilitation potential to develop. Enhancing self-esteem, mastery and engagement may be an avenue for staff in efforts to support the attendee's worker role.

Investigation of type-I interferon dysregulation by arenaviruses : a multidisciplinary approach.

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

Kozina, Carol L.; Moorman, Matthew Wallace; Branda, Catherine

2011-09-01

This report provides a detailed overview of the work performed for project number 130781, 'A Systems Biology Approach to Understanding Viral Hemorrhagic Fever Pathogenesis.' We report progress in five key areas: single cell isolation devices and control systems, fluorescent cytokine and transcription factor reporters, on-chip viral infection assays, molecular virology analysis of Arenavirus nucleoprotein structure-function, and development of computational tools to predict virus-host protein interactions. Although a great deal of work remains from that begun here, we have developed several novel single cell analysis tools and knowledge of Arenavirus biology that will facilitate and inform future publications and funding proposals.

Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space

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

Schultz, Arthur J; Joergensen, Mads; Wang, Xiaoping

2014-01-01

The intensity of single crystal Bragg peaks obtained by mapping neutron time-of-flight event data into reciprocal space and integrating in various ways are compared. These include spherical integration with a fixed radius, ellipsoid fitting and integrating of the peak intensity and one-dimensional peak profile fitting. In comparison to intensities obtained by integrating in real detector histogram space, the data integrated in reciprocal space results in better agreement factors and more accurate atomic parameters. Furthermore, structure refinement using integrated intensities from one-dimensional profile fitting is demonstrated to be more accurate than simple peak-minus-background integration.

A Simple Auxin Transcriptional Response System Regulates Multiple Morphogenetic Processes in the Liverwort Marchantia polymorpha

PubMed Central

Flores-Sandoval, Eduardo; Eklund, D. Magnus; Bowman, John L.

2015-01-01

In land plants comparative genomics has revealed that members of basal lineages share a common set of transcription factors with the derived flowering plants, despite sharing few homologous structures. The plant hormone auxin has been implicated in many facets of development in both basal and derived lineages of land plants. We functionally characterized the auxin transcriptional response machinery in the liverwort Marchantia polymorpha, a member of the basal lineage of extant land plants. All components known from flowering plant systems are present in M. polymorpha, but they exist as single orthologs: a single MpTOPLESS (TPL) corepressor, a single MpTRANSPORT INHIBITOR RESPONSE 1 auxin receptor, single orthologs of each class of AUXIN RESPONSE FACTOR (ARF; MpARF1, MpARF2, MpARF3), and a single negative regulator AUXIN/INDOLE-3-ACETIC ACID (MpIAA). Phylogenetic analyses suggest this simple system is the ancestral condition for land plants. We experimentally demonstrate that these genes act in an auxin response pathway — chimeric fusions of the MpTPL corepressor with heterodimerization domains of MpARF1, MpARF2, or their negative regulator, MpIAA, generate auxin insensitive plants that lack the capacity to pattern and transition into mature stages of development. Our results indicate auxin mediated transcriptional regulation acts as a facilitator of branching, differentiation and growth, rather than acting to determine or specify tissues during the haploid stage of the M. polymorpha life cycle. We hypothesize that the ancestral role of auxin is to modulate a balance of differentiated and pluri- or totipotent cell states, whose fates are determined by interactions with combinations of unrelated transcription factors. PMID:26020649

The single scattering properties of the aerosol particles as aggregated spheres

NASA Astrophysics Data System (ADS)

Wu, Y.; Gu, X.; Cheng, T.; Xie, D.; Yu, T.; Chen, H.; Guo, J.

2012-08-01

The light scattering and absorption properties of anthropogenic aerosol particles such as soot aggregates are complicated in the temporal and spatial distribution, which introduce uncertainty of radiative forcing on global climate change. In order to study the single scattering properties of anthorpogenic aerosol particles, the structures of these aerosols such as soot paticles and soot-containing mixtures with the sulfate or organic matter, are simulated using the parallel diffusion limited aggregation algorithm (DLA) based on the transmission electron microscope images (TEM). Then, the single scattering properties of randomly oriented aerosols, such as scattering matrix, single scattering albedo (SSA), and asymmetry parameter (AP), are computed using the superposition T-matrix method. The comparisons of the single scattering properties of these specific types of clusters with different morphological and chemical factors such as fractal parameters, aspect ratio, monomer radius, mixture mode and refractive index, indicate that these different impact factors can respectively generate the significant influences on the single scattering properties of these aerosols. The results show that aspect ratio of circumscribed shape has relatively small effect on single scattering properties, for both differences of SSA and AP are less than 0.1. However, mixture modes of soot clusters with larger sulfate particles have remarkably important effects on the scattering and absorption properties of aggregated spheres, and SSA of those soot-containing mixtures are increased in proportion to the ratio of larger weakly absorbing attachments. Therefore, these complex aerosols come from man made pollution cannot be neglected in the aerosol retrievals. The study of the single scattering properties on these kinds of aggregated spheres is important and helpful in remote sensing observations and atmospheric radiation balance computations.

The effects of rigid motions on elastic network model force constants.

PubMed

Lezon, Timothy R

2012-04-01

Elastic network models provide an efficient way to quickly calculate protein global dynamics from experimentally determined structures. The model's single parameter, its force constant, determines the physical extent of equilibrium fluctuations. The values of force constants can be calculated by fitting to experimental data, but the results depend on the type of experimental data used. Here, we investigate the differences between calculated values of force constants and data from NMR and X-ray structures. We find that X-ray B factors carry the signature of rigid-body motions, to the extent that B factors can be almost entirely accounted for by rigid motions alone. When fitting to more refined anisotropic temperature factors, the contributions of rigid motions are significantly reduced, indicating that the large contribution of rigid motions to B factors is a result of over-fitting. No correlation is found between force constants fit to NMR data and those fit to X-ray data, possibly due to the inability of NMR data to accurately capture protein dynamics. Copyright © 2011 Wiley Periodicals, Inc.

Increasing the electron-transfer ability of Cyanidioschyzon merolae ferredoxin by a one-point mutation – A high resolution and Fe-SAD phasing crystal structure analysis of the Asp58Asn mutant

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

Ueno, Yuko; Matsumoto, Takashi; Yamano, Akihito

2013-07-12

Highlights: •A single amino acid change on the ferredoxin surface affects electron transfer. •Precise positions of amide atoms were located utilizing no prior structural data. •Ultra high resolution and SAD phasing may be used for bias-free model building. -- Abstract: Cyanidioschyzon merolae (Cm) is a single cell red algae that grows in rather thermophilic (40–50 °C) and acidic (pH 1–3) conditions. Ferredoxin (Fd) was purified from this algae and characterized as a plant-type [2Fe–2S] Fd by physicochemical techniques. A high resolution (0.97 Å) three-dimensional structure of the CmFd D58N mutant molecule has been determined using the Fe-SAD phasing method tomore » clarify the precise position of the Asn58 amide, as this substitution increases the electron-transfer ability relative to wild-type CmFd by a factor of 1.5. The crystal structure reveals an electro-positive surface surrounding Asn58 that may interact with ferredoxin NADP{sup +} reductase or cytochrome c.« less

Low carrier semiconductor like behavior in Lu3Ir4Ge13 single crystal

NASA Astrophysics Data System (ADS)

Kumar, Anil; Matteppanavar, Shidaling; Thamizhavel, A.; Ramakrishnan, S.

2018-04-01

Single crystal of Lu3Ir4Ge13 crystallizing in the Yb3Rh4Sn13-type cubic crystal structure has been grown by Czochralski method in a tetra-arc furnace. In this paper we report on the crystal structure, magnetic and transport properties of Lu3Ir4Ge13. The analysis of the powder x-ray diffraction (XRD) studies revealed that Lu3Ir4Ge13 crystallizes in a cubic structure with the space group Pm-3n, no. 223. The lattice parameter was obtained from the Rietveld refinement of the room temperature XRD data which amounts to 8.904 (3) Å with low R factors. The temperature dependence of the resistivity exhibited semiconductor like behavior till 1.8 K, with a broad hump around 15 - 62 K. This hump was observed in both warming and cooling cycle with a very small hysteresis, it may be due to the existence of structural transition from high - low symmetry. The temperature dependent magnetization data shows the diamagnetic behavior with an anomaly around 70 K, which is well supported by the derivative of resistivity data.

Family structure, victimization, and child mental health in a nationally representative sample.

PubMed

Turner, Heather A; Finkelhor, David; Hamby, Sherry L; Shattuck, Anne

2013-06-01

Utilizing the 2008 National Survey of Children's Exposure to Violence (NatSCEV), the current study compares past year rates of 7 forms of child victimization (maltreatment, assault, peer victimization, property crime, witnessing family violence and exposure to community violence) across 3 different family structure types (two biological/adoptive parents, single parent, step/cohabiting family) among a representative sample of 4046 U.S. children ages 2-17. The study also considers whether certain social-contextual risk factors help to explain family structure variations in victimization, and the extent to which victimization exposure accounts for family structure differences in distress symptom levels. Findings showed significantly elevated rates of almost all types of victimization among children in both nontraditional family types, relative to those living with two biological/adoptive parents. Factors associated with increased victimization risk in these families include high parental conflict, drug or alcohol problems, family adversity, and community disorder. A summary measure of children's exposure to multiple forms of victimization was the strongest predictor of distress symptoms. Copyright © 2013 Elsevier Ltd. All rights reserved.

The phase transition of Pb8F14I2.

PubMed

Weil, Matthias

2017-01-01

The reversible phase transition of Pb 8 F 14 I 2 is of continuous type and takes place at about 107 °C as monitored by temperature-dependent single crystal and powder X-ray diffraction measurements, optical microscopy, and differential scanning calorimetry. The low-temperature ferroelastic phase crystallizes in the orthorhombic crystal system (23 °C, Bmmb , Z  = 2, a  = 6.0699(6) Å, b  = 6.0165(6) Å, c  = 25.077(2) Å, 1487 structure factors, 41 parameter, R ( F 2 ) = 0.0346, wR ( F 2 ) = 0.0771) and changes its symmetry to the tetragonal crystal system into the high-temperature paraelastic phase (130 °C, I 4/ mmm , Z  = 1, a  = 4.2667(12) Å, c  = 25.388(7) Å, 430 structure factors, 303 parameter, R ( F 2 ) = 0.0575, wR ( F 2 ) = 0.1564). Group-subgroup relationships between the two structures and a hypothetical intermediate structure are presented.

Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.

PubMed

Li, Xiaojun; Sun, Qingan; Jiang, Cai; Yang, Kailu; Hung, Li-Wei; Zhang, Junjie; Sacchettini, James C

2015-10-06

The ribosomal silencing factor RsfS slows cell growth by inhibiting protein synthesis during periods of diminished nutrient availability. The crystal structure of Mycobacterium tuberculosis (Mtb) RsfS, together with the cryo-electron microscopy (EM) structure of the large subunit 50S of Mtb ribosome, reveals how inhibition of protein synthesis by RsfS occurs. RsfS binds to the 50S at L14, which, when occupied, blocks the association of the small subunit 30S. Although Mtb RsfS is a dimer in solution, only a single subunit binds to 50S. The overlap between the dimer interface and the L14 binding interface confirms that the RsfS dimer must first dissociate to a monomer in order to bind to L14. RsfS interacts primarily through electrostatic and hydrogen bonding to L14. The EM structure shows extended rRNA density that it is not found in the Escherichia coli ribosome, the most striking of these being the extended RNA helix of H54a. Copyright © 2015 Elsevier Ltd. All rights reserved.

Differential Effects of the Factor Structure of the Wechsler Memory Scale-Revised on the Cortical Thickness and Complexity of Patients Aged Over 75 Years in a Memory Clinic Setting.

PubMed

Kinno, Ryuta; Shiromaru, Azusa; Mori, Yukiko; Futamura, Akinori; Kuroda, Takeshi; Yano, Satoshi; Murakami, Hidetomo; Ono, Kenjiro

2017-01-01

The Wechsler Memory Scale-Revised (WMS-R) is one of the internationally well-known batteries for memory assessment in a general memory clinic setting. Several factor structures of the WMS-R for patients aged under 74 have been proposed. However, little is known about the factor structure of the WMS-R for patients aged over 75 years and its neurological significance. Thus, we conducted exploratory factor analysis to determine the factor structure of the WMS-R for patients aged over 75 years in a memory clinic setting. Regional cerebral blood flow (rCBF) was calculated from single-photon emission computed tomography data. Cortical thickness and cortical fractal dimension, as the marker of cortical complexity, were calculated from high resolution magnetic resonance imaging data. We found that the four factors appeared to be the most appropriate solution to the model, including recognition memory, paired associate memory, visual-and-working memory, and attention as factors. Patients with mild cognitive impairments showed significantly higher factor scores for paired associate memory, visual-and-working memory, and attention than patients with Alzheimer's disease. Regarding the neuroimaging data, the factor scores for paired associate memory positively correlated with rCBF in the left pericallosal and hippocampal regions. Moreover, the factor score for paired associate memory showed most robust correlations with the cortical thickness in the limbic system, whereas the factor score for attention correlated with the cortical thickness in the bilateral precuneus. Furthermore, each factor score correlated with the cortical fractal dimension in the bilateral frontotemporal regions. Interestingly, the factor scores for the visual-and-working memory and attention selectively correlated with the cortical fractal dimension in the right posterior cingulate cortex and right precuneus cortex, respectively. These findings demonstrate that recognition memory, paired associate memory, visual-and-working memory, and attention can be crucial factors for interpreting the WMS-R results of elderly patients aged over 75 years in a memory clinic setting. Considering these findings, the results of WMS-R in elderly patients aged over 75 years in a memory clinic setting should be cautiously interpreted.

Single-molecule DNA detection with an engineered MspA protein nanopore

PubMed Central

Butler, Tom Z.; Pavlenok, Mikhail; Derrington, Ian M.; Niederweis, Michael; Gundlach, Jens H.

2008-01-01

Nanopores hold great promise as single-molecule analytical devices and biophysical model systems because the ionic current blockades they produce contain information about the identity, concentration, structure, and dynamics of target molecules. The porin MspA of Mycobacterium smegmatis has remarkable stability against environmental stresses and can be rationally modified based on its crystal structure. Further, MspA has a short and narrow channel constriction that is promising for DNA sequencing because it may enable improved characterization of short segments of a ssDNA molecule that is threaded through the pore. By eliminating the negative charge in the channel constriction, we designed and constructed an MspA mutant capable of electronically detecting and characterizing single molecules of ssDNA as they are electrophoretically driven through the pore. A second mutant with additional exchanges of negatively-charged residues for positively-charged residues in the vestibule region exhibited a factor of ≈20 higher interaction rates, required only half as much voltage to observe interaction, and allowed ssDNA to reside in the vestibule ≈100 times longer than the first mutant. Our results introduce MspA as a nanopore for nucleic acid analysis and highlight its potential as an engineerable platform for single-molecule detection and characterization applications. PMID:19098105

Separate but correlated: The latent structure of space and mathematics across development.

PubMed

Mix, Kelly S; Levine, Susan C; Cheng, Yi-Ling; Young, Chris; Hambrick, D Zachary; Ping, Raedy; Konstantopoulos, Spyros

2016-09-01

The relations among various spatial and mathematics skills were assessed in a cross-sectional study of 854 children from kindergarten, third, and sixth grades (i.e., 5 to 13 years of age). Children completed a battery of spatial mathematics tests and their scores were submitted to exploratory factor analyses both within and across domains. In the within domain analyses, all of the measures formed single factors at each age, suggesting consistent, unitary structures across this age range. Yet, as in previous work, the 2 domains were highly correlated, both in terms of overall composite score and pairwise comparisons of individual tasks. When both spatial and mathematics scores were submitted to the same factor analysis, the 2 domain specific factors again emerged, but there also were significant cross-domain factor loadings that varied with age. Multivariate regressions replicated the factor analysis and further revealed that mental rotation was the best predictor of mathematical performance in kindergarten, and visual-spatial working memory was the best predictor of mathematical performance in sixth grade. The mathematical tasks that predicted the most variance in spatial skill were place value (K, 3rd, 6th), word problems (3rd, 6th), calculation (K), fraction concepts (3rd), and algebra (6th). Thus, although spatial skill and mathematics each have strong internal structures, they also share significant overlap, and have particularly strong cross-domain relations for certain tasks. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Using the SRQ–20 Factor Structure to Examine Changes in Mental Distress Following Typhoon Exposure

PubMed Central

Stratton, Kelcey J.; Richardson, Lisa K.; Tran, Trinh Luong; Tam, Nguyen Thanh; Aggen, Steven H.; Berenz, Erin C.; Trung, Lam Tu; Tuan, Tran; Buoi, La Thi; Ha, Tran Thu; Thach, Tran Duc; Amstadter, Ananda B.

2014-01-01

Empirical research is limited regarding postdisaster assessment of distress in developing nations. This study aimed to evaluate the factor structure of the 20-item Self-Reporting Questionnaire (SRQ–20) before and after an acute trauma, Typhoon Xangsane, in order to examine changes in mental health symptoms in an epidemiologic sample of Vietnamese adults. The study examined a model estimating individual item factor loadings, thresholds, and a latent change factor for the SRQ–20's single “general distress” common factor. The covariates of sex, age, and severity of typhoon exposure were used to evaluate the disaster-induced changes in SRQ–20 scores while accounting for possible differences in the relationship between individual measurement scale items and the latent mental health construct. Evidence for measurement noninvariance was found. However, allowing sex and age effects on the pre-typhoon and post-typhoon factors accounted for much of the noninvariance in the SRQ–20 measurement structure. A test of no latent change failed, indicating that the SRQ–20 detected significant individual differences in distress between pre- and post-typhoon assessment. Conditioning on age and sex, several typhoon exposure variables differentially predicted levels of distress change, including evacuation, personal injury, and peri-event fear. On average, females and older individuals reported higher levels of distress than males and younger individuals, respectively. The SRQ–20 is a valid and reasonably stable instrument that may be used in postdisaster contexts to assess emotional distress and individual changes in mental health symptoms. PMID:24512425

Evidence for the Continuous Latent Structure of Mania in the Epidemiologic Catchment Area from Multiple Latent Structure and Construct Validation Methodologies

PubMed Central

Prisciandaro, James J.; Roberts, John E.

2011-01-01

Background Although psychiatric diagnostic systems have conceptualized mania as a discrete phenomenon, appropriate latent structure investigations testing this conceptualization are lacking. In contrast to these diagnostic systems, several influential theories of mania have suggested a continuous conceptualization. The present study examined whether mania has a continuous or discrete latent structure using a comprehensive approach including taxometric, information-theoretic latent distribution modeling (ITLDM), and predictive validity methodologies in the Epidemiologic Catchment Area (ECA) study. Methods Eight dichotomous manic symptom items were submitted to a variety of latent structural analyses; including factor analyses, taxometric procedures, and ITLDM; in 10,105 ECA community participants. Additionally, a variety of continuous and discrete models of mania were compared in terms of their relative abilities to predict outcomes (i.e., health service utilization, internalizing and externalizing disorders, and suicidal behavior). Results Taxometric and ITLDM analyses consistently supported a continuous conceptualization of mania. In ITLDM analyses, a continuous model of mania demonstrated 6:52:1 odds over the best fitting latent class model of mania. Factor analyses suggested that the continuous structure of mania was best represented by a single latent factor. Predictive validity analyses demonstrated a consistent superior ability of continuous models of mania relative to discrete models. Conclusions The present study provided three independent lines of support for a continuous conceptualization of mania. The implications of a continuous model of mania are discussed. PMID:20507671

Item-Level Psychometrics of the Glasgow Outcome Scale: Extended Structured Interviews.

PubMed

Hong, Ickpyo; Li, Chih-Ying; Velozo, Craig A

2016-04-01

The Glasgow Outcome Scale-Extended (GOSE) structured interview captures critical components of activities and participation, including home, shopping, work, leisure, and family/friend relationships. Eighty-nine community dwelling adults with mild-moderate traumatic brain injury (TBI) were recruited (average = 2.7 year post injury). Nine items of the 19 items were used for the psychometrics analysis purpose. Factor analysis and item-level psychometrics were investigated using the Rasch partial-credit model. Although the principal components analysis of residuals suggests that a single measurement factor dominates the measure, the instrument did not meet the factor analysis criteria. Five items met the rating scale criteria. Eight items fit the Rasch model. The instrument demonstrated low person reliability (0.63), low person strata (2.07), and a slight ceiling effect. The GOSE demonstrated limitations in precisely measuring activities/participation for individuals after TBI. Future studies should examine the impact of the low precision of the GOSE on effect size. © The Author(s) 2016.

Predicting Stress Related to Basic Needs and Safety in Darfur Refugee Camps: A Structural and Social Ecological Analysis

PubMed Central

RASMUSSEN, ANDREW; ANNAN, JEANNIE

2013-01-01

The research on the determinants of mental health among refugees has been largely limited to traumatic events, but recent work has indicated that the daily hassles of living in refugee camps also play a large role. Using hierarchical linear modelling to account for refugees nested within camp blocks, this exploratory study attempted to model stress surrounding safety and acquiring basic needs and functional impairment among refugees from Darfur living in Chad, using individual-level demographics (e.g., gender, age, presence of a debilitating injury), structural factors (e.g., distance from block to distribution centre), and social ecological variables (e.g., percentage of single women within a block). We found that stress concerning safety concerns, daily hassles, and functional impairment were associated with several individual-level demographic factors (e.g., gender), but also with interactions between block-level and individual-level factors as well (e.g., injury and distance to distribution centre). Findings are discussed in terms of monitoring and evaluation of refugee services. PMID:23626407

Predicting Stress Related to Basic Needs and Safety in Darfur Refugee Camps: A Structural and Social Ecological Analysis.

PubMed

Rasmussen, Andrew; Annan, Jeannie

2010-03-01

The research on the determinants of mental health among refugees has been largely limited to traumatic events, but recent work has indicated that the daily hassles of living in refugee camps also play a large role. Using hierarchical linear modelling to account for refugees nested within camp blocks, this exploratory study attempted to model stress surrounding safety and acquiring basic needs and functional impairment among refugees from Darfur living in Chad, using individual-level demographics (e.g., gender, age, presence of a debilitating injury), structural factors (e.g., distance from block to distribution centre), and social ecological variables (e.g., percentage of single women within a block). We found that stress concerning safety concerns, daily hassles, and functional impairment were associated with several individual-level demographic factors (e.g., gender), but also with interactions between block-level and individual-level factors as well (e.g., injury and distance to distribution centre). Findings are discussed in terms of monitoring and evaluation of refugee services.

Individual-level movement bias leads to the formation of higher-order social structure in a mobile group of baboons.

PubMed

Bonnell, Tyler R; Clarke, Parry M; Henzi, S Peter; Barrett, Louise

2017-07-01

In mobile social groups, influence patterns driving group movement can vary between democratic and despotic. The arrival at any single pattern of influence is thought to be underpinned by both environmental factors and group composition. To identify the specific patterns of influence driving travel decision-making in a chacma baboon troop, we used spatially explicit data to extract patterns of individual movement bias. We scaled these estimates of individual-level bias to the level of the group by constructing an influence network and assessing its emergent structural properties. Our results indicate that there is heterogeneity in movement bias: individual animals respond consistently to particular group members, and higher-ranking animals are more likely to influence the movement of others. This heterogeneity resulted in a group-level network structure that consisted of a single core and two outer shells. Here, the presence of a core suggests that a set of highly interdependent animals drove routine group movements. These results suggest that heterogeneity at the individual level can lead to group-level influence structures, and that movement patterns in mobile social groups can add to the exploration of both how these structures develop (i.e. mechanistic aspects) and what consequences they have for individual- and group-level outcomes (i.e. functional aspects).

A structural model of PpoA derived from SAXS-analysis-implications for substrate conversion.

PubMed

Koch, Christian; Tria, Giancarlo; Fielding, Alistair J; Brodhun, Florian; Valerius, Oliver; Feussner, Kirstin; Braus, Gerhard H; Svergun, Dmitri I; Bennati, Marina; Feussner, Ivo

2013-09-01

In plants and mammals, oxylipins may be synthesized via multi step processes that consist of dioxygenation and isomerization of the intermediately formed hydroperoxy fatty acid. These processes are typically catalyzed by two distinct enzyme classes: dioxygenases and cytochrome P450 enzymes. In ascomycetes biosynthesis of oxylipins may proceed by a similar two-step pathway. An important difference, however, is that both enzymatic activities may be combined in a single bifunctional enzyme. These types of enzymes are named Psi-factor producing oxygenases (Ppo). Here, the spatial organization of the two domains of PpoA from Aspergillus nidulans was analyzed by small-angle X-ray scattering and the obtained data show that the enzyme exhibits a relatively flat trimeric shape. Atomic structures of the single domains were obtained by template-based structure prediction and docked into the enzyme envelope of the low resolution structure obtained by SAXS. EPR-based distance measurements between the tyrosyl radicals formed in the activated dioxygenase domain of the enzyme supported the trimeric structure obtained from SAXS and the previous assignment of Tyr374 as radical-site in PpoA. Furthermore, two phenylalanine residues in the cytochrome P450 domain were shown to modulate the specificity of hydroperoxy fatty acid rearrangement. Copyright © 2013 Elsevier B.V. All rights reserved.

Individual-level movement bias leads to the formation of higher-order social structure in a mobile group of baboons

PubMed Central

Clarke, Parry M.; Henzi, S. Peter; Barrett, Louise

2017-01-01

In mobile social groups, influence patterns driving group movement can vary between democratic and despotic. The arrival at any single pattern of influence is thought to be underpinned by both environmental factors and group composition. To identify the specific patterns of influence driving travel decision-making in a chacma baboon troop, we used spatially explicit data to extract patterns of individual movement bias. We scaled these estimates of individual-level bias to the level of the group by constructing an influence network and assessing its emergent structural properties. Our results indicate that there is heterogeneity in movement bias: individual animals respond consistently to particular group members, and higher-ranking animals are more likely to influence the movement of others. This heterogeneity resulted in a group-level network structure that consisted of a single core and two outer shells. Here, the presence of a core suggests that a set of highly interdependent animals drove routine group movements. These results suggest that heterogeneity at the individual level can lead to group-level influence structures, and that movement patterns in mobile social groups can add to the exploration of both how these structures develop (i.e. mechanistic aspects) and what consequences they have for individual- and group-level outcomes (i.e. functional aspects). PMID:28791140

Anatomy of the Skin and the Pathogenesis of Nonmelanoma Skin Cancer.

PubMed

Losquadro, William D

2017-08-01

Skin is composed of the epidermis, dermis, and adnexal structures. The epidermis is composed of 4 layers-the stratums basale, spinosum, granulosum, and corneum. The dermis is divided into a superficial papillary dermis and deeper reticular dermis. Collagen and elastin within the reticular dermis are responsible for skin tensile strength and elasticity, respectively. The 2 most common kinds of nonmelanoma skin cancers are basal cell and squamous cell carcinoma. Both are caused by a host of environmental and genetic factors, although UV light exposure is the single greatest predisposing factor. Copyright © 2017 Elsevier Inc. All rights reserved.

The (mis)measurement of the Dark Triad Dirty Dozen: exploitation at the core of the scale

PubMed Central

Kajonius, Petri J.; Persson, Björn N.; Rosenberg, Patricia

2016-01-01

Background. The dark side of human character has been conceptualized in the Dark Triad Model: Machiavellianism, psychopathy, and narcissism. These three dark traits are often measured using single long instruments for each one of the traits. Nevertheless, there is a necessity of short and valid personality measures in psychological research. As an independent research group, we replicated the factor structure, convergent validity and item response for one of the most recent and widely used short measures to operationalize these malevolent traits, namely, Jonason’s Dark Triad Dirty Dozen. We aimed to expand the understanding of what the Dirty Dozen really captures because the mixed results on construct validity in previous research. Method. We used the largest sample to date to respond to the Dirty Dozen (N = 3,698). We firstly investigated the factor structure using Confirmatory Factor Analysis and an exploratory distribution analysis of the items in the Dirty Dozen. Secondly, using a sub-sample (n = 500) and correlation analyses, we investigated the Dirty Dozen dark traits convergent validity to Machiavellianism measured by the Mach-IV, psychopathy measured by Eysenck’s Personality Questionnaire Revised, narcissism using the Narcissism Personality Inventory, and both neuroticism and extraversion from the Eysenck’s questionnaire. Finally, besides these Classic Test Theory analyses, we analyzed the responses for each Dirty Dozen item using Item Response Theory (IRT). Results. The results confirmed previous findings of a bi-factor model fit: one latent core dark trait and three dark traits. All three Dirty Dozen traits had a striking bi-modal distribution, which might indicate unconcealed social undesirability with the items. The three Dirty Dozen traits did converge too, although not strongly, with the contiguous single Dark Triad scales (r between .41 and .49). The probabilities of filling out steps on the Dirty Dozen narcissism-items were much higher than on the Dirty Dozen items for Machiavellianism and psychopathy. Overall, the Dirty Dozen instrument delivered the most predictive value with persons with average and high Dark Triad traits (theta > −0.5). Moreover, the Dirty Dozen scale was better conceptualized as a combined Machiavellianism-psychopathy factor, not narcissism, and is well captured with item 4: ‘I tend to exploit others towards my own end.’ Conclusion. The Dirty Dozen showed a consistent factor structure, a relatively convergent validity similar to that found in earlier studies. Narcissism measured using the Dirty Dozen, however, did not contribute with information to the core of the Dirty Dozen construct. More importantly, the results imply that the core of the Dirty Dozen scale, a manipulative and anti-social trait, can be measured by a Single Item Dirty Dark Dyad (SIDDD). PMID:26966673

The (mis)measurement of the Dark Triad Dirty Dozen: exploitation at the core of the scale.

PubMed

Kajonius, Petri J; Persson, Björn N; Rosenberg, Patricia; Garcia, Danilo

2016-01-01

Background. The dark side of human character has been conceptualized in the Dark Triad Model: Machiavellianism, psychopathy, and narcissism. These three dark traits are often measured using single long instruments for each one of the traits. Nevertheless, there is a necessity of short and valid personality measures in psychological research. As an independent research group, we replicated the factor structure, convergent validity and item response for one of the most recent and widely used short measures to operationalize these malevolent traits, namely, Jonason's Dark Triad Dirty Dozen. We aimed to expand the understanding of what the Dirty Dozen really captures because the mixed results on construct validity in previous research. Method. We used the largest sample to date to respond to the Dirty Dozen (N = 3,698). We firstly investigated the factor structure using Confirmatory Factor Analysis and an exploratory distribution analysis of the items in the Dirty Dozen. Secondly, using a sub-sample (n = 500) and correlation analyses, we investigated the Dirty Dozen dark traits convergent validity to Machiavellianism measured by the Mach-IV, psychopathy measured by Eysenck's Personality Questionnaire Revised, narcissism using the Narcissism Personality Inventory, and both neuroticism and extraversion from the Eysenck's questionnaire. Finally, besides these Classic Test Theory analyses, we analyzed the responses for each Dirty Dozen item using Item Response Theory (IRT). Results. The results confirmed previous findings of a bi-factor model fit: one latent core dark trait and three dark traits. All three Dirty Dozen traits had a striking bi-modal distribution, which might indicate unconcealed social undesirability with the items. The three Dirty Dozen traits did converge too, although not strongly, with the contiguous single Dark Triad scales (r between .41 and .49). The probabilities of filling out steps on the Dirty Dozen narcissism-items were much higher than on the Dirty Dozen items for Machiavellianism and psychopathy. Overall, the Dirty Dozen instrument delivered the most predictive value with persons with average and high Dark Triad traits (theta > -0.5). Moreover, the Dirty Dozen scale was better conceptualized as a combined Machiavellianism-psychopathy factor, not narcissism, and is well captured with item 4: 'I tend to exploit others towards my own end.' Conclusion. The Dirty Dozen showed a consistent factor structure, a relatively convergent validity similar to that found in earlier studies. Narcissism measured using the Dirty Dozen, however, did not contribute with information to the core of the Dirty Dozen construct. More importantly, the results imply that the core of the Dirty Dozen scale, a manipulative and anti-social trait, can be measured by a Single Item Dirty Dark Dyad (SIDDD).

Development and Validation of a Cervical Cancer Screening Self-Efficacy Scale for Low-Income Mexican American Women

PubMed Central

Fernández, Maria E.; Diamond, Pamela M.; Rakowski, William; Gonzales, Alicia; Tortolero-Luna, Guillermo; Williams, Janet; Morales-Campos, Daisy Y.

2011-01-01

While self-efficacy (SE), a construct from Social Cognitive Theory, has been shown to influence other screening behaviors, few measures currently exist for measuring Pap test SE. This paper describes the development and psychometric testing of such a measure for Mexican-American women. Data from two separate samples of Mexican-American women 50 years or older, obtained as part of a study to develop and evaluate a breast and cervical cancer screening educational program, were used in the current study. Exploratory factor analysis indicated a single factor solution and all item loadings were > .73. Confirmatory analysis confirmed a single factor structure with all standardized loadings greater than .40 as hypothesized. The eight item SE scale demonstrated high internal consistency (Cronbach's alpha = .95). As hypothesized, SE was correlated with knowledge, prior experience, and screening intention. Logistic regression supported the theoretical relationship that women with higher SE were more likely to have had a recent Pap test. Findings showed a significant increase in SE following the intervention, indicating the measure has good sensitivity to change over time. PMID:19258484

Transition to motherhood and the self: measurement, stability, and change.

PubMed

Ruble, D N; Brooks-Gunn, J; Fleming, A S; Fitzmaurice, G; Stangor, C; Deutsch, F

1990-03-01

Different ways of conceptualizing and measuring change in attitudes during transition to motherhood are examined. A series of analyses was performed on data from a cross-sectional sample (N = 667) and a smaller longitudinal sample (n = 48) to demonstrate sound psychometric properties for 2 new scales and to show construct comparability across different phases of childbearing. For Childbearing Attitudes Questionnaire, results demonstrated equality of covariance for 16 scales and comparability of structure and meaning of 4 higher order factors--identification with motherhood, social orientation, self-confidence, and negative aspects of giving birth. For Mothering Self-Definition Questionnaire, results demonstrated equality of covariance of 5 scales and comparability of structure and meaning of a single higher order factor, interpreted as reflecting positive feelings about one's mothering characteristics. Analyses of correlations and mean differences identified areas of change and stability.

A Novel Method of Extraction of Blend Component Structure from SANS Measurements of Homopolymer Bimodal Blends.

PubMed

Smerdova, Olga; Graham, Richard S; Gasser, Urs; Hutchings, Lian R; De Focatiis, Davide S A

2014-05-01

A new method is presented for the extraction of single-chain form factors and interchain interference functions from a range of small-angle neutron scattering (SANS) experiments on bimodal homopolymer blends. The method requires a minimum of three blends, made up of hydrogenated and deuterated components with matched degree of polymerization at two different chain lengths, but with carefully varying deuteration levels. The method is validated through an experimental study on polystyrene homopolymer bimodal blends with [Formula: see text]. By fitting Debye functions to the structure factors, it is shown that there is good agreement between the molar mass of the components obtained from SANS and from chromatography. The extraction method also enables, for the first time, interchain scattering functions to be produced for scattering between chains of different lengths. [Formula: see text].

Factor analysis of regional brain activation in bipolar and healthy individuals reveals a consistent modular structure.

PubMed

Fleck, David E; Welge, Jeffrey A; Eliassen, James C; Adler, Caleb M; DelBello, Melissa P; Strakowski, Stephen M

2018-07-01

The neurophysiological substrates of cognition and emotion, as seen with fMRI, are generally explained using modular structures. The present study was designed to probe the modular structure of cognitive-emotional processing in bipolar and healthy individuals using factor analysis and compare the results with current conceptions of the neurophysiology of bipolar disorder. Exploratory factor analysis was used to assess patterns of covariation among brain regions-of-interest activated during the Continuous Performance Task with Emotional and Neutral Distractors in healthy and bipolar individuals without a priori constraints on the number or composition of latent factors. Results indicated a common cognitive-emotional network consisting of prefrontal, medial temporal, limbic, parietal, anterior cingulate and posterior cingulate modules. However, reduced brain activation to emotional stimuli in the frontal, medial temporal and limbic modules was apparent in the bipolar relative to the healthy group, potentially accounting for emotional dysregulation in bipolar disorder. This study is limited by a relatively small sample size recruited at a single site. The results have yet to be validated on a larger independent sample. Although the modular structure of cognitive-emotional processing is similar in bipolar and healthy individuals, activation in response to emotional/neutral cues varies. These findings are not only consistent with recent conceptions of mood regulation in bipolar disorder, but also suggest that regional activation can be considered within tighter modular structures without compromising data interpretation. This demonstration may serve as a template for data reduction in future region-of-interest analyses to increase statistical power. Copyright © 2018 Elsevier B.V. All rights reserved.

Virtual photon structure functions and the parton content of the electron

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

Drees, M.; Godbole, R.M.

1994-09-01

We point out that in processes involving the parton content of the photon the usual effective photon approximation should be modified. The reason is that the parton content of virtual photons is logarithmically suppressed compared to real photons. We describe this suppression using several simple, physically motivated [ital Ansa]$[ital uml---tze]. Although the parton content of the electron in general no longer factorizes into an electron flux function and a photon structure function, it can still be expressed as a single integral. Numerical examples are given for the [ital e][sup +][ital e][sup [minus

The Historical Loss Scale: Longitudinal measurement equivalence and prospective links to anxiety among North American indigenous adolescents.

PubMed

Armenta, Brian E; Whitbeck, Les B; Habecker, Patrick N

2016-01-01

Thoughts of historical loss (i.e., the loss of culture, land, and people as a result of colonization) are conceptualized as a contributor to the contemporary distress experienced by North American Indigenous populations. Although discussions of historical loss and related constructs (e.g., historical trauma) are widespread within the Indigenous literature, empirical efforts to understand the consequence of historical loss are limited, partially because of the lack of valid assessments. In this study we evaluated the longitudinal measurement properties of the Historical Loss Scale (HLS)-a standardized measure that was developed to systematically examine the frequency with which Indigenous individuals think about historical loss-among a sample of North American Indigenous adolescents. We also test the hypothesis that thoughts of historical loss can be psychologically distressing. Via face-to-face interviews, 636 Indigenous adolescents from a single cultural group completed the HLS and a measure of anxiety at 4 time-points, which were separated by 1- to 2-year intervals (Mage = 12.09 years, SD = .86, 50.0% girls at baseline). Responses to the HLS were explained well by 3-factor (i.e., cultural loss, loss of people, and cultural mistreatment) and second-order factor structures. Both of these factor structures held full longitudinal metric (i.e., factor loadings) and scalar (i.e., intercepts) equivalence. In addition, using the second-order factor structure, more frequent thoughts of historical loss were associated with increased anxiety. The identified 3-factor and second-order HLS structures held full longitudinal measurement equivalence. Moreover, as predicted, our results suggest that historical loss can be psychologically distressing for Indigenous adolescents. (c) 2016 APA, all rights reserved).

Study on turbulent flow and heat transfer performance of tubes with internal fins in EGR cooler

NASA Astrophysics Data System (ADS)

Liu, Lin; Ling, Xiang; Peng, Hao

2015-07-01

In this paper, flow and heat transfer performances of the tubes with internal longitudinal fins in Exhaust Gas Recirculation (EGR ) cooler were investigated by three-dimension computation and experiment . Each test tube was a single-pipe structure, without inner tube. Three-dimension computation was performed to determine the thermal characteristics difference between the two kinds of tubes, that is, the tube with an inner solid staff as a blocked structure and the tube without the blocked structure. The effects of fin width and fin height on heat transfer and flow are examined. For proving the validity of numerical method, the calculated results were compared with corresponding experimental data. The tube-side friction factor and heat transfer coefficient were examined. As a result, the maximum deviations between the numerical results and the experimental data are approximately 5.4 % for friction factor and 8.6 % for heat transfer coefficient, respectively. It is found that two types of internally finned tubes enhance significantly heat transfer. The heat transfer of the tube with blocked structure is better, while the pressure drop of the tube without blocked structure is lower. The comprehensive performance of the unblocked tube is better to applied in EGR cooler.

Mechanical exfoliation of two-dimensional materials

NASA Astrophysics Data System (ADS)

Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

2018-06-01

Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

Quantum decimation in Hilbert space: Coarse graining without structure

NASA Astrophysics Data System (ADS)

Singh, Ashmeet; Carroll, Sean M.

2018-03-01

We present a technique to coarse grain quantum states in a finite-dimensional Hilbert space. Our method is distinguished from other approaches by not relying on structures such as a preferred factorization of Hilbert space or a preferred set of operators (local or otherwise) in an associated algebra. Rather, we use the data corresponding to a given set of states, either specified independently or constructed from a single state evolving in time. Our technique is based on principle component analysis (PCA), and the resulting coarse-grained quantum states live in a lower-dimensional Hilbert space whose basis is defined using the underlying (isometric embedding) transformation of the set of fine-grained states we wish to coarse grain. Physically, the transformation can be interpreted to be an "entanglement coarse-graining" scheme that retains most of the global, useful entanglement structure of each state, while needing fewer degrees of freedom for its reconstruction. This scheme could be useful for efficiently describing collections of states whose number is much smaller than the dimension of Hilbert space, or a single state evolving over time.

Structural, optical and device characteristics of 1-(2-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1 H-pyrazol-4-yl)-2-oxoethyl)pyridinium chloride

NASA Astrophysics Data System (ADS)

El-Menyawy, E. M.; Elagamey, A. A.; Elgogary, S. R.; Shalof, R. T.

2016-03-01

1-(2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1 H-pyrazol-4-yl)-2-oxoethyl)pyridinium chloride (DOPC) was chemically synthesized and showed thermal stability up to 220 °C. DOPC powder has polycrystalline structure and crystallizes in triclinic structure with space group, Pbar{1} . Miller indices for each diffraction plan in X-ray diffraction spectra are determined. DOPC films have been prepared via spin-coating technique onto quartz and silicon single crystal substrates. The optical properties of the films are investigated by spectrophotometric measurements of the transmittance and reflectance over the spectral range 200-2500 nm. The absorption coefficient and the refractive index of the films are calculated in which the optical band gap and single oscillator parameters are estimated. Hybrid Au/DOPC/p-Si/Al heterojunction is constructed, and the dark current-voltage characteristics are recorded. The device exhibited rectification behavior and the basic parameters such as ideality factor, barrier height, series resistance and charge carrier mobility are evaluated.

How preschool executive functioning predicts several aspects of math achievement in Grades 1 and 3: A longitudinal study.

PubMed

Viterbori, Paola; Usai, M Carmen; Traverso, Laura; De Franchis, Valentina

2015-12-01

This longitudinal study analyzes whether selected components of executive function (EF) measured during the preschool period predict several indices of math achievement in primary school. Six EF measures were assessed in a sample of 5-year-old children (N = 175). The math achievement of the same children was then tested in Grades 1 and 3 using both a composite math score and three single indices of written calculation, arithmetical facts, and problem solving. Using previous results obtained from the same sample of children, a confirmatory factor analysis examining the latent EF structure in kindergarten indicated that a two-factor model provided the best fit for the data. In this model, inhibition and working memory (WM)-flexibility were separate dimensions. A full structural equation model was then used to test the hypothesis that math achievement (the composite math score and single math scores) in Grades 1 and 3 could be explained by the two EF components comprising the kindergarten model. The results indicate that the WM-flexibility component measured during the preschool period substantially predicts mathematical achievement, especially in Grade 3. The math composite scores were predicted by the WM-flexibility factor at both grade levels. In Grade 3, both problem solving and arithmetical facts were predicted by the WM-flexibility component. The results empirically support interventions that target EF as an important component of early childhood mathematics education. Copyright © 2015 Elsevier Inc. All rights reserved.

Assessment of the validity of the CUDIT-R in a subpopulation of cannabis users.

PubMed

Loflin, Mallory; Babson, Kimberly; Browne, Kendall; Bonn-Miller, Marcel

2018-01-01

The Cannabis Use Disorders Identification Test-Revised (CUDIT-R) is an 8-item measure used to screen for cannabis use disorders (CUD). Despite widespread use of the tool, assessments of the CUDIT-R's validity in subpopulations are limited. The current study tested the structural validity and internal consistency of one of the most widely used screening measures for CUD (i.e., CUDIT-R) among a sample of military veterans who use cannabis for medicinal purposes. The present study used confirmatory factor analysis (CFA) to test the internal consistency and validity of the single-factor structure of the original screener among a sample of veterans who use cannabis for medicinal purposes (n = 90 [90% male]; M age  = 55.31, SD = 15.37). Measures included demographics and the CUDIT-R, obtained from the baseline assessment of an ongoing longitudinal study. The CFA revealed that the single-factor model previously validated in recreational using samples only accounted for 38.34% of total variance in responses on the CUDIT-R (χ 2  = 66.09, df = 28, p < 0.05; RMSEA = 0.06) and demonstrated acceptable but modest internal consistency (Cronbach's α = 0.73). More psychometric work is needed to determine the reliability and validity of using the CUDIT-R to screen for CUD among military veterans who use medicinal cannabis and other subpopulations of cannabis users.

Free-standing nanomechanical and nanophotonic structures in single-crystal diamond

NASA Astrophysics Data System (ADS)

Burek, Michael John

Realizing complex three-dimensional structures in a range of material systems is critical to a variety of emerging nanotechnologies. This is particularly true of nanomechanical and nanophotonic systems, both relying on free-standing small-scale components. In the case of nanomechanics, necessary mechanical degrees of freedom require physically isolated structures, such as suspended beams, cantilevers, and membranes. For nanophotonics, elements like waveguides and photonic crystal cavities rely on light confinement provided by total internal reflection or distributed Bragg reflection, both of which require refractive index contrast between the device and surrounding medium (often air). Such suspended nanostructures are typically fabricated in a heterolayer structure, comprising of device (top) and sacrificial (middle) layers supported by a substrate (bottom), using standard surface nanomachining techniques. A selective, isotropic etch is then used to remove the sacrificial layer, resulting in free-standing devices. While high-quality, crystalline, thin film heterolayer structures are readily available for silicon (as silicon-on-insulator (SOI)) or III-V semiconductors (i.e. GaAs/AlGaAs), there remains an extensive list of materials with attractive electro-optic, piezoelectric, quantum optical, and other properties for which high quality single-crystal thin film heterolayer structures are not available. These include complex metal oxides like lithium niobate (LiNbO3), silicon-based compounds such as silicon carbide (SiC), III-V nitrides including gallium nitride (GaN), and inert single-crystals such as diamond. Diamond is especially attractive for a variety of nanoscale technologies due to its exceptional physical and chemical properties, including high mechanical hardness, stiffness, and thermal conductivity. Optically, it is transparent over a wide wavelength range (from 220 nm to the far infrared), has a high refractive index (n ~ 2.4), and is host to a vast inventory of luminescent defect centers (many with direct optical access to highly coherent electron and nuclear spins). Diamond has many potential applications ranging from radio frequency nanoelectromechanical systems (RF-NEMS), to all-optical signal processing and quantum optics. Despite the commercial availability of wafer-scale nanocrystalline diamond thin films on foreign substrates (namely SiO2), this diamond-on-insulator (DOI) platform typically exhibits inferior material properties due to friction, scattering, and absorption losses at grain boundaries, significant surface roughness, and large interfacial stresses. In the absence of suitable heteroepitaxial diamond growth, substantial research and development efforts have focused on novel processing techniques to yield nanoscale single-crystal diamond mechanical and optical elements. In this thesis, we demonstrate a scalable 'angled-etching' nanofabrication method for realizing nanomechanical systems and nanophotonic networks starting from bulk single-crystal diamond substrates. Angled-etching employs anisotropic oxygen-based plasma etching at an oblique angle to the substrate surface, resulting in suspended optical structures with triangular cross-sections. Using this approach, we first realize single-crystal diamond nanomechanical resonant structures. These nanoscale diamond resonators exhibit high mechanical quality-factors (approaching Q ~ 105) with mechanical resonances up to 10 MHz. Next, we demonstrate engineered nanophotonic structures, specifically racetrack resonators and photonic crystal cavities, in bulk single-crystal diamond. Our devices feature large optical Q-factors, in excess of 10 5, and operate over a wide wavelength range, spanning visible and telecom. These newly developed high-Q diamond optical nanocavities open the door for a wealth of applications, ranging from nonlinear optics and chemical sensing, to quantum information processing and cavity optomechanics. Beyond isolated nanophotonic devices, we also developed free-standing angled-etched diamond waveguides which efficiently route photons between optical nanocavities, realizing true on-chip diamond nanophotonic networks. A high efficiency fiber-optical interface with aforementioned on-chip diamond nanophotonic networks, achieving > 90% power coupling, is also demonstrated. Lastly, we demonstrate a cavity-optomechanical system in single-crystal diamond, which builds upon previously realized diamond nanobeam photonic crystal cavities fabricated by angled-etching. Specifically, we demonstrate diamond optomechanical crystals (OMCs), where the engineered co-localization of photons and phonons in a quasi-periodic diamond nanostructure leads to coupling of an optical cavity field to a mechanical mode via the radiation pressure of light. In contrast to other material systems, diamond OMCs possess large intracavity photon capacity and sufficient optomechanical coupling rates to exceed a cooperativity of ~ 1 at room temperature and realize large amplitude optomechanical self-oscillations.

Nop9 is a PUF-like protein that prevents premature cleavage to correctly process pre-18S rRNA

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

Zhang, Jun; McCann, Kathleen L.; Qiu, Chen

Numerous factors direct eukaryotic ribosome biogenesis, and defects in a single ribosome assembly factor may be lethal or produce tissue-specific human ribosomopathies. Pre-ribosomal RNAs (pre-rRNAs) must be processed stepwise and at the correct subcellular locations to produce the mature rRNAs. Nop9 is a conserved small ribosomal subunit biogenesis factor, essential in yeast. Here we report a 2.1-Å crystal structure of Nop9 and a small-angle X-ray-scattering model of a Nop9:RNA complex that reveals a ‘C’-shaped fold formed from 11 Pumilio repeats. We show that Nop9 recognizes sequence and structural features of the 20S pre-rRNA near the cleavage site of the nuclease,more » Nob1. We further demonstrate that Nop9 inhibits Nob1 cleavage, the final processing step to produce mature small ribosomal subunit 18S rRNA. Together, our results suggest that Nop9 is critical for timely cleavage of the 20S pre-rRNA. Moreover, the Nop9 structure exemplifies a new class of Pumilio repeat proteins.« less

Beyond Collinear Factorization

NASA Astrophysics Data System (ADS)

Neill, Duff

2017-01-01

Collinear factorization is the basis of many collider observables, and is one of the most highly tested bedrocks of QCD. And yet, it reveals a very limited picture of the nucleon, and the internal dynamics of the partons bound within. I will attempt to elucidate what observables do not fall into a naive collinear factorization framework, what sorts of pictures that have been proposed to replace it in these observables, and what one can learn about the nucleon. Time permitting, I will cover new developments in Soft Collinear Effective Field Theory that allow one to discuss and calculate both collinear factorization and spectator interactions on a first principles basis, hopefully paving the way to investigate the whole coherent structure of the nucleon, not just a single lucky parton involved in the hard interaction.

Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics

NASA Astrophysics Data System (ADS)

Kawai, E.; Umeno, Y.

2017-05-01

As weight reduction of turbines for aircraft engines is demanded to improve fuel consumption and curb emission of carbon dioxide, silicon carbide (SiC) fiber reinforced SiC matrix composites (SiC/SiC) are drawing enormous attention as high-pressure turbine materials. For preventing degradation of SiC/SiC, environmental barrier coatings (EBC) for ceramics are deposited on the composites. The purpose of this study is to establish theoretical guidelines for structural design which ensures the mechanical reliability of EBC. We conducted finite element method (FEM) analysis to calculate energy release rates (ERRs) for interface crack initiation due to thermal stress in EBC consisting of Si-based bond coat, Mullite and Ytterbium (Yb)-silicate layers on a SiC/SiC substrate. In the FEM analysis, the thickness of one EBC layer was changed from 25 μm to 200 μm while the thicknesses of the other layers were fixed at 25 μm, 50 μm and 100 μm. We compared ERRs obtained by the FEM analysis and a simple theory for interface crack in a single-layered structure where ERR is estimated as nominal strain energy in the coating layers multiplied by a constant factor (independent of layer thicknesses). We found that, unlike the case of single-layered structures, the multiplication factor is no longer a constant but is determined by the combination of consisting coating layer thicknesses.

Trajectories of Multidimensional Caregiver Burden in Chinese Informal Caregivers for Dementia: Evidence from Exploratory and Confirmatory Factor Analysis of the Zarit Burden Interview.

PubMed

Li, Dan; Hu, Nan; Yu, Yueyi; Zhou, Aihong; Li, Fangyu; Jia, Jianping

2017-01-01

Despite its popularity, the latent structure of 22-item Zarit Burden Interview (ZBI) remains unclear. There has been no study exploring how caregiver multidimensional burden changed. The aim of the work was to validate the latent structure of ZBI and to investigate how multidimensional burden evolves with increasing global burden. We studied 1,132 dyads of dementia patients and their informal caregivers. The caregivers completed the ZBI and a questionnaire regarding caregiving. The total sample was randomly split into two equal subsamples. Exploratory factor analysis (EFA) was performed in the first subsample. In the second subsample, confirmatory factor analysis (CFA) was conducted to validate models generated from EFA. The mean of weighted factor score was calculated to assess the change of dimension burden against the increasing ZBI total score. The result of EFA and CFA supported that a five-factor structure, including role strain, personal strain, incompetency, dependency, and guilt, had the best goodness-of-fit. The trajectories of multidimensional burden suggested that three different dimensions (guilt, role strain and personal strain) became the main subtype of burden in sequence as the ZBI total score increased from mild to moderate. Factor dependency contributed prominently to the total burden in severe stage. The five-factor ZBI is a psychometrically robust measure for assessing multidimensional burden in Chinese caregivers. The changes of multidimensional burden have deepened our understanding of the psychological characteristics of caregiving beyond a single total score and may be useful for developing interventions to reduce caregiver burden.

A functional probe with bowtie aperture and bull's eye structure for nanolithograph

NASA Astrophysics Data System (ADS)

Wang, Shuo; Li, Xu-Feng; Wang, Qiao; Guo, Ying-Yan; Pan, Shi

2012-10-01

The bowtie aperture surrounded by concentric gratings (the bull's eye structure) integrated on the near-field scanning optical microscopy (NSOM) probe (aluminum coated fiber tip) for nanolithography has been investigated using the finite-difference time domain (FDTD) method. By modifying the parameters of the bowtie aperture and the concentric gratings, a maximal field enhancement factor of 391.69 has been achieved, which is 18 times larger than that obtained from the single bowtie aperture. Additionally, the light spot depends on the gap size of the bowtie aperture and can be confined to sub-wavelength. The superiority of the combination of the bowtie aperture and the bull's eye structure is confirmed, and the mechanism for the electric field enhancement in this derived structure is analyzed.

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

Von Dreele, Robert

One of the goals in developing GSAS-II was to expand from the capabilities of the original General Structure Analysis System (GSAS) which largely encompassed just structure refinement and post refinement analysis. GSAS-II has been written almost entirely in Python loaded with graphics, GUI and mathematical packages (matplotlib, pyOpenGL, wxpython, numpy and scipy). Thus, GSAS-II has a fully developed modern GUI as well as extensive graphical display of data and results. However, the structure and operation of Python has required new approaches to many of the algorithms used in crystal structure analysis. The extensions beyond GSAS include image calibration/integration as wellmore » as peak fitting and unit cell indexing for powder data which are precursors for structure solution. Structure solution within GSAS-II begins with either Pawley or LeBail extracted structure factors from powder data or those measured in a single crystal experiment. Both charge flipping and Monte Carlo-Simulated Annealing techniques are available; the former can be applied to (3+1) incommensurate structures as well as conventional 3D structures.« less

Testing Models of Psychopathology in Preschool-aged Children Using a Structured Interview-based Assessment

PubMed Central

Dougherty, Lea R.; Bufferd, Sara J.; Carlson, Gabrielle A.; Klein, Daniel N.

2014-01-01

A number of studies have found that broadband internalizing and externalizing factors provide a parsimonious framework for understanding the structure of psychopathology across childhood, adolescence, and adulthood. However, few of these studies have examined psychopathology in young children, and several recent studies have found support for alternative models, including a bi-factor model with common and specific factors. The present study used parents’ (typically mothers’) reports on a diagnostic interview in a community sample of 3-year old children (n=541; 53.9 % male) to compare the internalizing-externalizing latent factor model with a bi-factor model. The bi-factor model provided a better fit to the data. To test the concurrent validity of this solution, we examined associations between this model and paternal reports and laboratory observations of child temperament. The internalizing factor was associated with low levels of surgency and high levels of fear; the externalizing factor was associated with high levels of surgency and disinhibition and low levels of effortful control; and the common factor was associated with high levels of surgency and negative affect and low levels of effortful control. These results suggest that psychopathology in preschool-aged children may be explained by a single, common factor influencing nearly all disorders and unique internalizing and externalizing factors. These findings indicate that shared variance across internalizing and externalizing domains is substantial and are consistent with recent suggestions that emotion regulation difficulties may be a common vulnerability for a wide array of psychopathology. PMID:24652485

Bayesian pedigree inference with small numbers of single nucleotide polymorphisms via a factor-graph representation.

PubMed

Anderson, Eric C; Ng, Thomas C

2016-02-01

We develop a computational framework for addressing pedigree inference problems using small numbers (80-400) of single nucleotide polymorphisms (SNPs). Our approach relaxes the assumptions, which are commonly made, that sampling is complete with respect to the pedigree and that there is no genotyping error. It relies on representing the inferred pedigree as a factor graph and invoking the Sum-Product algorithm to compute and store quantities that allow the joint probability of the data to be rapidly computed under a large class of rearrangements of the pedigree structure. This allows efficient MCMC sampling over the space of pedigrees, and, hence, Bayesian inference of pedigree structure. In this paper we restrict ourselves to inference of pedigrees without loops using SNPs assumed to be unlinked. We present the methodology in general for multigenerational inference, and we illustrate the method by applying it to the inference of full sibling groups in a large sample (n=1157) of Chinook salmon typed at 95 SNPs. The results show that our method provides a better point estimate and estimate of uncertainty than the currently best-available maximum-likelihood sibling reconstruction method. Extensions of this work to more complex scenarios are briefly discussed. Published by Elsevier Inc.

Detection of anthrax lef with DNA-based photonic crystal sensors

NASA Astrophysics Data System (ADS)

Zhang, Bailin; Dallo, Shatha; Peterson, Ralph; Hussain, Syed; Weitao, Tao; Ye, Jing Yong

2011-12-01

Bacillus anthracis has posed a threat of becoming biological weapons of mass destruction due to its virulence factors encoded by the plasmid-borne genes, such as lef for lethal factor. We report the development of a fast and sensitive anthrax DNA biosensor based on a photonic crystal structure used in a total-internal-reflection configuration. For the detection of the lef gene, a single-stranded DNA lef probe was biotinylated and immobilized onto the sensor via biotin-streptavidin interactions. A positive control, lef-com, was the complementary strand of the probe, while a negative control was an unrelated single-stranded DNA fragment from the 16S rRNA gene of Acinetobacter baumannii. After addition of the biotinylated lef probe onto the sensor, significant changes in the resonance wavelength of the sensor were observed, resulting from binding of the probe to streptavidin on the sensor. The addition of lef-com led to another significant increase as a result of hybridization between the two DNA strands. The detection sensitivity for the target DNA reached as low as 0.1 nM. In contrast, adding the unrelated DNAs did not cause an obvious shift in the resonant wavelength. These results demonstrate that detection of the anthrax lef by the photonic crystal structure in a total-internal-reflection sensor is highly specific and sensitive.

A cross-national study on the multidimensional characteristics of the five-item psychological demands scale of the Job Content Questionnaire.

PubMed

Choi, BongKyoo; Kawakami, Norito; Chang, SeiJin; Koh, SangBaek; Bjorner, Jakob; Punnett, Laura; Karasek, Robert

2008-01-01

The five-item psychological demands scale of the Job Content Questionnaire (JCQ) has been assumed to be one-dimensional in practice. To examine whether the scale has sufficient internal consistency and external validity to be treated as a single scale, using the cross-national JCQ datasets from the United States, Korea, and Japan. Exploratory factor analyses with 22 JCQ items, confirmatory factor analyses with the five psychological demands items, and correlations analyses with mental health indexes. Generally, exploratory factor analyses displayed the predicted demand/control/support structure with three and four factors extracted. However, at more detailed levels of exploratory and confirmatory factor analyses, the demands scale showed clear evidence of multi-factor structure. The correlations of items and subscales of the demands scale with mental health indexes were similar to those of the full scale in the Korean and Japanese datasets, but not in the U.S. data. In 4 out of 16 sub-samples of the U.S. data, several significant correlations of the components of the demands scale with job dissatisfaction and life dissatisfaction were obscured by the full scale. The multidimensionality of the psychological demands scale should be considered in psychometric analysis and interpretation, occupational epidemiologic studies, and future scale extension.

Latent Variable Modeling of Brain Gray Matter Volume and Psychopathy in Incarcerated Offenders

PubMed Central

Baskin-Sommers, Arielle R.; Neumann, Craig S.; Cope, Lora M.; Kiehl, Kent A.

2016-01-01

Advanced statistical modeling has become a prominent feature in psychological science and can be a useful approach for representing the neural architecture linked to psychopathology. Psychopathy, a disorder characterized by dysfunction in interpersonal-affective and impulsive-antisocial domains, is associated with widespread neural abnormalities. Several imaging studies suggest that underlying structural deficits in paralimbic regions are associated with psychopathy. While these studies are useful, they make assumptions about the organization of the brain and its relevance to individuals displaying psychopathic features. Capitalizing on statistical modeling, the present study (N=254) used latent variable methods to examine the structure of gray matter volume in male offenders, and assessed the latent relations between psychopathy and gray matter factors reflecting paralimbic and non-paralimbic regions. Results revealed good fit for a four-factor gray matter paralimbic model and these first-order factors were accounted for by a super-ordinate paralimbic ‘system’ factor. Moreover, a super-ordinate psychopathy factor significantly predicted the paralimbic, but not the non-paralimbic factor. The latent variable paralimbic model, specifically linked with psychopathy, goes beyond understanding of single brain regions within the system and provides evidence for psychopathy-related gray matter volume reductions in the paralimbic system as a whole. PMID:27269123

Recent advances in computational structural reliability analysis methods

NASA Astrophysics Data System (ADS)

Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

1993-10-01

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Recent advances in computational structural reliability analysis methods

NASA Technical Reports Server (NTRS)

Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

1993-01-01

The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

Unraveling protein folding mechanism by analyzing the hierarchy of models with increasing level of detail

NASA Astrophysics Data System (ADS)

Hayashi, Tomohiko; Yasuda, Satoshi; Škrbić, Tatjana; Giacometti, Achille; Kinoshita, Masahiro

2017-09-01

Taking protein G with 56 residues for a case study, we investigate the mechanism of protein folding. In addition to its native structure possessing α-helix and β-sheet contents of 27% and 39%, respectively, we construct a number of misfolded decoys with a wide variety of α-helix and β-sheet contents. We then consider a hierarchy of 8 different models with increasing level of detail in terms of the number of entropic and energetic physical factors incorporated. The polyatomic structure is always taken into account, but the side chains are removed in half of the models. The solvent is formed by either neutral hard spheres or water molecules. Protein intramolecular hydrogen bonds (H-bonds) and protein-solvent H-bonds (the latter is present only in water) are accounted for or not, depending on the model considered. We then apply a physics-based free-energy function (FEF) corresponding to each model and investigate which structures are most stabilized. This special approach taken on a step-by-step basis enables us to clarify the role of each physical factor in contributing to the structural stability and separately elucidate its effect. Depending on the model employed, significantly different structures such as very compact configurations with no secondary structures and configurations of associated α-helices are optimally stabilized. The native structure can be identified as that with lowest FEF only when the most detailed model is employed. This result is significant for at least the two reasons: The most detailed model considered here is able to capture the fundamental aspects of protein folding notwithstanding its simplicity; and it is shown that the native structure is stabilized by a complex interplay of minimal multiple factors that must be all included in the description. In the absence of even a single of these factors, the protein is likely to be driven towards a different, more stable state.

Phases and interfaces from real space atomically resolved data: Physics-based deep data image analysis

DOE PAGES

Vasudevan, Rama K.; Ziatdinov, Maxim; Jesse, Stephen; ...

2016-08-12

Advances in electron and scanning probe microscopies have led to a wealth of atomically resolved structural and electronic data, often with ~1–10 pm precision. However, knowledge generation from such data requires the development of a physics-based robust framework to link the observed structures to macroscopic chemical and physical descriptors, including single phase regions, order parameter fields, interfaces, and structural and topological defects. Here, we develop an approach based on a synergy of sliding window Fourier transform to capture the local analog of traditional structure factors combined with blind linear unmixing of the resultant 4D data set. This deep data analysismore » is ideally matched to the underlying physics of the problem and allows reconstruction of the a priori unknown structure factors of individual components and their spatial localization. We demonstrate the principles of this approach using a synthetic data set and further apply it for extracting chemical and physically relevant information from electron and scanning tunneling microscopy data. Furthermore, this method promises to dramatically speed up crystallographic analysis in atomically resolved data, paving the road toward automatic local structure–property determinations in crystalline and quasi-ordered systems, as well as systems with competing structural and electronic order parameters.« less

Single atom visibility in STEM optical depth sectioning

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

Ishikawa, Ryo; Pennycook, Stephen J.; Lupini, Andrew R.

The continuing development of aberration correctors for the scanning transmission electron microscope (STEM) offers the possibility of locating single atoms in crystals in 3D via optical depth sectioning. The main factors that determine the feasibility of such an approach are visibility and dose requirements. In this paper, we show how Poisson's statistics can be quantitatively incorporated into STEM image simulations and demonstrate that the 3D location of single cerium atoms in wurtzite-type aluminum nitride is indeed feasible under large-angle illumination conditions with a relatively low dose. We also show that chromatic aberration does not presently represent a limitation provided amore » cold field emission source is used. Finally, these results suggest efforts into improved aberration corrector designs for larger illumination angles that offer significant potential for 3D structure determination of materials.« less

Single atom visibility in STEM optical depth sectioning

DOE PAGES

Ishikawa, Ryo; Pennycook, Stephen J.; Lupini, Andrew R.; ...

2016-10-19

The continuing development of aberration correctors for the scanning transmission electron microscope (STEM) offers the possibility of locating single atoms in crystals in 3D via optical depth sectioning. The main factors that determine the feasibility of such an approach are visibility and dose requirements. In this paper, we show how Poisson's statistics can be quantitatively incorporated into STEM image simulations and demonstrate that the 3D location of single cerium atoms in wurtzite-type aluminum nitride is indeed feasible under large-angle illumination conditions with a relatively low dose. We also show that chromatic aberration does not presently represent a limitation provided amore » cold field emission source is used. Finally, these results suggest efforts into improved aberration corrector designs for larger illumination angles that offer significant potential for 3D structure determination of materials.« less

Screening hydroxyapatite for cadmium and lead immobilization in aqueous solution and contaminated soil: The role of surface area.

PubMed

Li, Hongying; Guo, Xisheng; Ye, Xinxin

2017-02-01

Hydroxyapatite (HAP) has been widely used to immobilize many cationic metals in water and soils. The specific reason why an increase in the surface area of HAP enhances cadmium (Cd) uptake, but has no effect on lead (Pb) uptake, is not clear. The aim of this study was to determine the factors causing the differences in sorption behavior between Cd and Pb by evaluating HAPs with different surface areas. We synthesized HAPs with two different surface areas, which were characterized by X-ray diffraction, N 2 adsorption, and scanning electron microscopy, and then evaluated them as sorbents for Cd and Pb removal by testing in single and binary systems. The sorption capacity of large surface area HAP (1.85mmol/g) for Cd in the single-metal system was higher than that of small surface area HAP (0.64mmol/g), but there were no differences between single- and binary-metal solutions containing Pb. After the Cd experiments, the HAP retained a stable structure and intact morphology, which promotes the accessibility of reactive sites for Cd. However, a newly formed precipitate covered the surface and blocked the channels in the presence of Pb, which reduced the number of potential adsorption sites on HAP for Cd and Pb. Remediation experiments using Cd- and Pb-contaminated soil produced similar results to the solution tests. These results indicate that alterations of the structure and morphology during the reaction is an important factor influencing metal sorption to HAP. Copyright © 2016. Published by Elsevier B.V.

Modeling the dynamics and kinetics of HIV-1 Gag during viral assembly.

PubMed

Tomasini, Michael D; Johnson, Daniel S; Mincer, Joshua S; Simon, Sanford M

2018-01-01

We report a computational model for the assembly of HIV-1 Gag into immature viral particles at the plasma membrane. To reproduce experimental structural and kinetic properties of assembly, a process occurring on the order of minutes, a coarse-grained representation consisting of a single particle per Gag molecule is developed. The model uses information relating the functional interfaces implicated in Gag assembly, results from cryo electron-tomography, and biophysical measurements from fluorescence microscopy, such as the dynamics of Gag assembly at single virions. These experimental constraints eliminated many classes of potential interactions, and narrowed the model to a single interaction scheme with two non-equivalent interfaces acting to form Gags into a hexamer, and a third interface acting to link hexamers together. This model was able to form into a hexameric structure with correct lattice spacing and reproduced biologically relevant growth rates. We explored the effect of genomic RNA seeding punctum growth, finding that RNA may be a factor in locally concentrating Gags to initiate assembly. The simulation results infer that completion of assembly cannot be governed simply by Gag binding kinetics. However the addition of membrane curvature suggests that budding of the virion from the plasma membrane could factor into slowing incorporation of Gag at an assembly site resulting in virions of the same size and number of Gag molecules independent of Gag concentration or the time taken to complete assembly. To corroborate the results of our simulation model, we developed an analytic model for Gag assembly finding good agreement with the simulation results.

Modeling the dynamics and kinetics of HIV-1 Gag during viral assembly

PubMed Central

Tomasini, Michael D.; Johnson, Daniel S.; Mincer, Joshua S.

2018-01-01

We report a computational model for the assembly of HIV-1 Gag into immature viral particles at the plasma membrane. To reproduce experimental structural and kinetic properties of assembly, a process occurring on the order of minutes, a coarse-grained representation consisting of a single particle per Gag molecule is developed. The model uses information relating the functional interfaces implicated in Gag assembly, results from cryo electron-tomography, and biophysical measurements from fluorescence microscopy, such as the dynamics of Gag assembly at single virions. These experimental constraints eliminated many classes of potential interactions, and narrowed the model to a single interaction scheme with two non-equivalent interfaces acting to form Gags into a hexamer, and a third interface acting to link hexamers together. This model was able to form into a hexameric structure with correct lattice spacing and reproduced biologically relevant growth rates. We explored the effect of genomic RNA seeding punctum growth, finding that RNA may be a factor in locally concentrating Gags to initiate assembly. The simulation results infer that completion of assembly cannot be governed simply by Gag binding kinetics. However the addition of membrane curvature suggests that budding of the virion from the plasma membrane could factor into slowing incorporation of Gag at an assembly site resulting in virions of the same size and number of Gag molecules independent of Gag concentration or the time taken to complete assembly. To corroborate the results of our simulation model, we developed an analytic model for Gag assembly finding good agreement with the simulation results. PMID:29677208

Effect of single and mixed polycyclic aromatic hydrocarbon contamination on plant biomass yield and PAH dissipation during phytoremediation.

PubMed

Afegbua, Seniyat Larai; Batty, Lesley Claire

2018-04-27

Polycyclic aromatic hydrocarbon (PAH)-contaminated sites have a mixture of PAH of varying concentration which may affect PAH dissipation differently to contamination with a single PAH. In this study, pot experiments investigated the impact of PAH contamination on Medicago sativa, Lolium perenne, and Festuca arundinacea biomass and PAH dissipation from soils spiked with phenanthrene (Phe), fluoranthene (Flu), and benzo[a]pyrene (B[a]P) in single and mixed treatments. Stimulatory or inhibitory effects of PAH contamination on plant biomass yields were not different for the single and mixed PAH treatments. Results showed significant effect of PAH treatments on plant growth with an increased root biomass yield for F. arundinacea in the Phe (175%) and Flu (86%) treatments and a root biomass decrease in the mixed treatment (4%). The mean residual PAHs in the planted treatments and unplanted control for the single treatments were not significantly different. B[a]P dissipation was enhanced for single and mixed treatments (71-72%) with F. arundinacea compared to the unplanted control (24-50%). On the other hand, B[a]P dissipation was inhibited with L. perenne (6%) in the single treatment and M. sativa (11%) and L. perenne (29%) in the mixed treatment. Abiotic processes had greater contribution to PAH dissipation compared to rhizodegradation in both treatments. In most cases, a stimulatory effect of PAH contamination on plant biomass yield without an enhancement of PAH dissipation was observed. Plant species among other factors affect the relative contribution of PAH dissipation mechanisms during phytoremediation. These factors determine the effectiveness and suitability of phytoremediation as a remedial strategy for PAH-contaminated sites. Further studies on impact of PAH contamination, plant selection, and rhizosphere activities on soil microbial community structure and remediation outcome are required.

The Implementation Leadership Scale (ILS): development of a brief measure of unit level implementation leadership.

PubMed

Aarons, Gregory A; Ehrhart, Mark G; Farahnak, Lauren R

2014-04-14

In healthcare and allied healthcare settings, leadership that supports effective implementation of evidenced-based practices (EBPs) is a critical concern. However, there are no empirically validated measures to assess implementation leadership. This paper describes the development, factor structure, and initial reliability and convergent and discriminant validity of a very brief measure of implementation leadership: the Implementation Leadership Scale (ILS). Participants were 459 mental health clinicians working in 93 different outpatient mental health programs in Southern California, USA. Initial item development was supported as part of a two United States National Institutes of Health (NIH) studies focused on developing implementation leadership training and implementation measure development. Clinician work group/team-level data were randomly assigned to be utilized for an exploratory factor analysis (n = 229; k = 46 teams) or for a confirmatory factor analysis (n = 230; k = 47 teams). The confirmatory factor analysis controlled for the multilevel, nested data structure. Reliability and validity analyses were then conducted with the full sample. The exploratory factor analysis resulted in a 12-item scale with four subscales representing proactive leadership, knowledgeable leadership, supportive leadership, and perseverant leadership. Confirmatory factor analysis supported an a priori higher order factor structure with subscales contributing to a single higher order implementation leadership factor. The scale demonstrated excellent internal consistency reliability as well as convergent and discriminant validity. The ILS is a brief and efficient measure of unit level leadership for EBP implementation. The availability of the ILS will allow researchers to assess strategic leadership for implementation in order to advance understanding of leadership as a predictor of organizational context for implementation. The ILS also holds promise as a tool for leader and organizational development to improve EBP implementation.

The implementation leadership scale (ILS): development of a brief measure of unit level implementation leadership

PubMed Central

2014-01-01

Background In healthcare and allied healthcare settings, leadership that supports effective implementation of evidenced-based practices (EBPs) is a critical concern. However, there are no empirically validated measures to assess implementation leadership. This paper describes the development, factor structure, and initial reliability and convergent and discriminant validity of a very brief measure of implementation leadership: the Implementation Leadership Scale (ILS). Methods Participants were 459 mental health clinicians working in 93 different outpatient mental health programs in Southern California, USA. Initial item development was supported as part of a two United States National Institutes of Health (NIH) studies focused on developing implementation leadership training and implementation measure development. Clinician work group/team-level data were randomly assigned to be utilized for an exploratory factor analysis (n = 229; k = 46 teams) or for a confirmatory factor analysis (n = 230; k = 47 teams). The confirmatory factor analysis controlled for the multilevel, nested data structure. Reliability and validity analyses were then conducted with the full sample. Results The exploratory factor analysis resulted in a 12-item scale with four subscales representing proactive leadership, knowledgeable leadership, supportive leadership, and perseverant leadership. Confirmatory factor analysis supported an a priori higher order factor structure with subscales contributing to a single higher order implementation leadership factor. The scale demonstrated excellent internal consistency reliability as well as convergent and discriminant validity. Conclusions The ILS is a brief and efficient measure of unit level leadership for EBP implementation. The availability of the ILS will allow researchers to assess strategic leadership for implementation in order to advance understanding of leadership as a predictor of organizational context for implementation. The ILS also holds promise as a tool for leader and organizational development to improve EBP implementation. PMID:24731295

Controlled Synthesis of Ultralong Carbon Nanotubes with Perfect Structures and Extraordinary Properties.

PubMed

Zhang, Rufan; Zhang, Yingying; Wei, Fei

2017-02-21

Carbon nanotubes (CNTs) have drawn intensive research interest in the past 25 years due to their excellent properties and wide applications. Ultralong CNTs refers to the horizontally aligned CNT arrays which are usually grown on flat substrates, parallel with each other with large intertube distances. They usually have perfect structures, excellent properties, and lengths up to centimeters, even decimeters. Ultralong CNTs are promising candidates as building blocks for transparent displays, nanoelectronics, superstrong tethers, aeronautics and aerospace materials, etc. The controlled synthesis of ultralong CNTs with perfect structures is the key to fully exploit the extraordinary properties of CNTs. CNTs are typical one-dimensional single-crystal nanomaterials. It has always been a great challenge how to grow macroscale single-crystals with no defects. Thus, the synthesis of ultralong CNTs with no defect is of significant importance from both fundamental and industrial aspects. In this Account, we focus on our progress on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. A deep understanding of the CNT growth mechanism is the first step for the controlled synthesis of ultralong CNTs with high quality. We first introduce the growth mechanism for ultralong CNTs and the main factor affecting their structures. We then discuss the strategies to control the defects in the as-grown ultralong CNTs. With these approaches, ultralong high-quality CNTs with different structures can be obtained. By completely eliminating the factors which may induce defects in the CNT walls, ultralong CNTs with perfect structures can be obtained. Their chiral indices keep unchanged for several centimeters long along the axial direction of the CNTs. The defect-free structures render the ultralong CNTs with excellent electrical, mechanical and thermal properties. The as-grown ultralong CNTs exhibit superhigh mechanical strength (>100 GPa) and their breaking strain (>17.5%) reach the theoretical limits. They also show excellent electrical and thermal properties. In addition, centimeters long CNTs showed macroscale interwall superlubricious properties due to their defect-free structures. Ultralong, defect-free CNTs with controlled structures are highly desirable for many high-end applications. We hope that this Account will shed light on the controlled synthesis of ultralong CNTs with perfect structures and excellent properties. Moreover, the growth mechanism and controlled synthesis of ultralong CNTs with perfect structures also offers a good model for other one-dimensional nanomaterials.

Validation of a motivation-based typology of angry aggression among antisocial youths in Norway.

PubMed

Bjørnebekk, Gunnar; Howard, Rick

2012-01-01

This article describes the validation of the Angry Aggression Scales (AAS), the Behavior Inhibition System and the Behavior Activation System (BIS/BAS) scales, the reactive aggression and proactive power scales in relation to a Norwegian sample of 101 antisocial youths with conduct problems (64 boys, 37 girls, mean age 15 ± 1.3 years) and 101 prosocial controls matched on age, gender, education, ethnicity, and school district. Maximum likelihood exploratory factor analyses with oblique rotation were performed on AAS, BIS/BAS, reactive aggression and proactive power scales as well as computation of Cronbach's alpha and McDonald's omega. Tests for normality and homogeneity of variance were acceptable. Factor analyses of AAS and the proactive/reactive aggression scales suggested a hierarchical structure comprising a single higher-order angry aggression (AA) factor and four and two lower-order factors, respectively. Moreover, results suggested one BIS factor and a single higher-order BAS factor with three lower-order factors related to drive, fun-seeking and reward responsiveness. To compare scores of antisocial youths with controls, t-tests on the mean scale scores were computed. Results confirmed that antisocial youths were different from controls on the above-mentioned scales. Consistent with the idea that anger is associated with approach motivation, AAS scores correlated with behavioral activation, but only explosive/reactive and vengeful/ruminative AA correlated with behavioral inhibition. Results generally validated the quadruple typology of aggression and violence proposed by Howard (2009). Copyright © 2012 John Wiley & Sons, Ltd.

A Multivariate Twin Study of the DSM-IV Criteria for Antisocial Personality Disorder

PubMed Central

Kendler, Kenneth S.; Aggen, Steven H.; Patrick, Christopher J.

2012-01-01

BACKGROUND Many assessment instruments for psychopathy are multidimensional, suggesting that distinguishable factors are needed to effectively capture variation in this personality domain. However, no prior study has examined the factor structure of the DSM-IV criteria for antisocial personality disorder (ASPD). METHODS Self-report questionnaire items reflecting all A criteria for DSM-IV ASPD were available from 4,291 twins (including both members of 1,647 pairs) from the Virginia Adult Study of Psychiatric and Substance Use Disorders. Exploratory factor analysis and twin model fitting were performed using, respectively, Mplus and Mx. RESULTS Phenotypic factor analysis produced evidence for 2 correlated factors: aggressive-disregard and disinhibition. The best-fitting multivariate twin model included two genetic and one unique environmental common factor, along with criteria-specific genetic and environmental effects. The two genetic factors closely resembled the phenotypic factors and varied in their prediction of a range of relevant criterion variables. Scores on the genetic aggressive-disregard factor score were more strongly associated with risk for conduct disorder, early and heavy alcohol use, and low educational status, whereas scores on the genetic disinhibition factor score were more strongly associated with younger age, novelty seeking, and major depression. CONCLUSION From a genetic perspective, the DSM-IV criteria for ASPD do not reflect a single dimension of liability but rather are influenced by two dimensions of genetic risk reflecting aggressive-disregard and disinhibition. The phenotypic structure of the ASPD criteria results largely from genetic and not from environmental influences. PMID:21762879

Strengthening the systemic ties that bind: integrating common factors into marriage and family therapy curricula.

PubMed

Karam, Eli A; Blow, Adrian J; Sprenkle, Douglas H; Davis, Sean D

2015-04-01

Specific models guide the training of marriage and family therapists (MFTs) as they offer both structure and organization for both therapists and clients. Learning models may also benefit therapists-in-training by instilling confidence and preventing atheoretical eclecticism. The moderate common factors perspective argues that models are essential, but should not be taught as "the absolute truth," given there is no evidence for relative efficacy of one empirically validated model versus another, and no single model works in all instances. The following article provides a blueprint for infusing a common factors perspective into MFT programmes by reviewing innovations in course design, outlining specific teaching strategies, and highlighting potential implementation challenges. © 2014 American Association for Marriage and Family Therapy.

Dynamics of Biomarkers in Relation to Aging and Mortality

PubMed Central

Arbeev, Konstantin G.; Ukraintseva, Svetlana V.; Yashin, Anatoliy I.

2016-01-01

Contemporary longitudinal studies collect repeated measurements of biomarkers allowing one to analyze their dynamics in relation to mortality, morbidity, or other health-related outcomes. Rich and diverse data collected in such studies provide opportunities to investigate how various socioeconomic, demographic, behavioral and other variables can interact with biological and genetic factors to produce differential rates of aging in individuals. In this paper, we review some recent publications investigating dynamics of biomarkers in relation to mortality, which use single biomarkers as well as cumulative measures combining information from multiple biomarkers. We also discuss the analytical approach, the stochastic process models, which conceptualizes several aging-related mechanisms in the structure of the model and allows evaluating “hidden” characteristics of aging-related changes indirectly from available longitudinal data on biomarkers and follow-up on mortality or onset of diseases taking into account other relevant factors (both genetic and non-genetic). We also discuss an extension of the approach, which considers ranges of “optimal values” of biomarkers rather than a single optimal value as in the original model. We discuss practical applications of the approach to single biomarkers and cumulative measures highlighting that the potential of applications to cumulative measures is still largely underused. PMID:27138087

a Study of the Synchrotron Laue Method for Quantitative Crystal Structure Analysis.

NASA Astrophysics Data System (ADS)

Gomez de Anderez, Dora M.

1990-01-01

Available from UMI in association with The British Library. Quantitative crystal structure analyses have been carried out on small molecule crystals using synchrotron radiation and the Laue method. A variety of single crystal structure determinations and associated refinements are used and compared with the monochromatic analyses. The new molecular structure of 7-amino-5-bromo -4-methyl-2-oxo-1,2,3,4-tetrahidro-1, 6 -naphthyridine-8-carbonitrile (C_{10 }H_9ON_4 Br.H_2O) has been determined, first using monochromatic Mo Kalpha radiation and a four-circle diffractometer, then using synchrotron Laue diffraction photography. The structure refinements showed a R-factor of 4.97 and 14.0% for the Mo Kalpha and Laue data respectively. The molecular structure of (S)-2-chloro-2-fluoro-N-((S)-1-phenylethyl) ethanamide, (C_{10}H _{11}ClFNO), has been determined using the same crystal throughout for X-ray monochromatic analyses (Mo Kalpha and Cu K alpha) followed by synchrotron Laue data collection. The Laue and monochromatic data compare favourably. The R -factors (on F) were 6.23, 6.45 and 8.19% for the Mo K alpha, Cu Kalpha and Laue data sets respectively. The molecular structure of 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1,3-diphenyl -prop- 2-en-1-one, (C_{25 }H_{20}N _2O_2) has been determined using the synchrotron Laue method. The results compare very well with Mo Kalpha monochromatic data. The R-factors (on F) were 4.60 and 5.29% for Mo Kalpha and Laue analysis respectively. The Laue method is assessed in locating the 20 hydrogen atoms in this structure. The structure analysis of the benzil compound ((C_6H_5 O.CO_2)) is carried out using the synchrotron Laue method firstly at room temperature and secondly at low temperature -114 ^circC. The structure shows an R-factor (on F) of 13.06% and 6.85% for each data set respectively. The synchrotron Laue method was used to collect data for ergocalciferol (Vitamin D_2). The same crystal was also used to record oscillation data with the synchrotron radiation monochromatic beam. A new molecular structure of (Dinitrato-(N,N ^'-dimethylethylene-diamine)copper(II)) has been determined using Mo Kalpha radiation on a four circle diffractometer. The refinement resulted in an R-factor (on F) of 4.06%.

A Study of the Synchrotron Laue Method for Quantitative Crystal Structure Analysis

NASA Astrophysics Data System (ADS)

Gomez de Anderez, Dora M.

1990-01-01

Quantitative crystal structure analyses have been carried out on small molecule crystals using synchrotron radiation and the Laue method. A variety of single crystal structure determinations and associated refinements are used and compared with the monochromatic analyses. The new molecular structure of 7-amino-5-bromo -4-methyl-2-oxo-1,2,3,4 -tetrahidro-1,6 -naphthyridine-8-carbonitrile (C_{10 }H_9ON_4 BrcdotH_2O) has been determined, first using monochromatic Mo K alpha radiation and a four-circle diffractometer, then using synchrotron Laue diffraction photography. The structure refinements showed an R-factor of 4.97 and 14.0% for the Mo Kalpha and Laue data respectively. The molecular structure of (S)-2-chloro-2-fluoro-N-((S)-1-phenylethyl) ethanamide, (C_{10}H _{11}ClFNO), has been determined using the same crystal throughout for X-ray monochromatic analyses (Mo Kalpha and Cu K alpha) followed by synchrotron Laue data collection. The Laue and monochromatic data compare favourably. The R -factors (on F) were 6.23, 6.45 and 8.19% for the Mo K alpha, Cu Kalpha and Laue data sets respectively. The molecular structure of 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)-1,3-diphenyl -prop-2-en-1-one, (C_{25}H _{20}N_2 O_2) has been determined using the synchrotron Laue method. The results compare very well with Mo Kalpha monochromatic data. The R-factors (on F) were 4.60 and 5.29% for Mo Kalpha and Laue analyses respectively. The Laue method is assessed in locating the 20 hydrogen atoms in this structure. The structure analyses of the benzil compound ((C_6H_5 OcdotCO_2)) is carried out using the synchrotron Laue method firstly at room temperature and secondly at low temperature. The structure shows an R-factor (on F) of 13.06% and 6.85% for each data set respectively. The synchrotron Laue method was used to collect data for ergocalciferol (Vitamin D_2). The same crystal was also used to record oscillation data with the synchrotron radiation monochromatic beam. A new molecular structure of (Dinitrato-(N,N ^'-dimethylethylene-diamine)copper(II)) has been determined using Mo Kalpha radiation on a four circle diffractometer. The refinement resulted in an R-factor (on F) of 4.06%.

Structured education programme for women with polycystic ovary syndrome: a randomised controlled trial.

PubMed

Mani, Hamidreza; Chudasama, Yogini; Hadjiconstantinou, Michelle; Bodicoat, Danielle H; Edwardson, Charlotte; Levy, Miles J; Gray, Laura J; Barnett, Janette; Daly, Heather; Howlett, Trevor A; Khunti, Kamlesh; Davies, Melanie J

2018-01-01

To evaluate the effectiveness of a structured education programmes in women with polycystic ovary syndrome (PCOS). Single-centre, randomised controlled trial, testing a single exposure to a group-based, face-to-face, structured education programme. Inclusion criteria were women with PCOS, aged 18-49 years inclusive and body mass index ≥23 kg/m 2 for black and minority ethnicities or ≥25 kg/m 2 for white Europeans. Primary outcome was step-count/day at 12 months. Secondary outcomes included indices of physical activity, cardiovascular risk factors, quality of life (QoL) and illness perception (IP). 161 women were included (78 control, 83 intervention); 69% white; mean age 33.4 (s.d. 7.6) years, of whom 100 (48 intervention; 52 control) attended their 12-month visit (38% attrition). 77% of the intervention arm attended the education programme. No significant change in step-count was observed at 12 months (mean difference: +351 steps/day (95% confidence interval -481, +1183); P  = 0.40). No differences were found in biochemical or anthropometric outcomes. The education programme improved participants' IP in 2 dimensions: understanding their PCOS ( P  < 0.001) and sense of control ( P  < 0.01) and improved QoL in 3 dimensions: emotions ( P  < 0.05), fertility ( P  < 0.05), weight ( P  < 0.01) and general mental well-being ( P  < 0.01). A single exposure to structured education programme did not increase physical activity or improve biochemical markers in overweight and obese women with PCOS. However, providing a structured education in parallel to routine medical treatment can be beneficial for participants' understanding of their condition, reducing their anxiety and improving their QoL. © 2018 The authors.

Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent

PubMed Central

Nakane, Takanori; Hanashima, Shinya; Suzuki, Mamoru; Saiki, Haruka; Hayashi, Taichi; Kakinouchi, Keisuke; Sugiyama, Shigeru; Kawatake, Satoshi; Matsuoka, Shigeru; Matsumori, Nobuaki; Nango, Eriko; Kobayashi, Jun; Shimamura, Tatsuro; Kimura, Kanako; Mori, Chihiro; Kunishima, Naoki; Sugahara, Michihiro; Takakyu, Yoko; Inoue, Shigeyuki; Masuda, Tetsuya; Hosaka, Toshiaki; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Inoue, Tsuyoshi; Nureki, Osamu; Iwata, So; Murata, Michio; Mizohata, Eiichi

2016-01-01

The 3D structure determination of biological macromolecules by X-ray crystallography suffers from a phase problem: to perform Fourier transformation to calculate real space density maps, both intensities and phases of structure factors are necessary; however, measured diffraction patterns give only intensities. Although serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) has been steadily developed since 2009, experimental phasing still remains challenging. Here, using 7.0-keV (1.771 Å) X-ray pulses from the SPring-8 Angstrom Compact Free Electron Laser (SACLA), iodine single-wavelength anomalous diffraction (SAD), single isomorphous replacement (SIR), and single isomorphous replacement with anomalous scattering (SIRAS) phasing were performed in an SFX regime for a model membrane protein bacteriorhodopsin (bR). The crystals grown in bicelles were derivatized with an iodine-labeled detergent heavy-atom additive 13a (HAD13a), which contains the magic triangle, I3C head group with three iodine atoms. The alkyl tail was essential for binding of the detergent to the surface of bR. Strong anomalous and isomorphous difference signals from HAD13a enabled successful phasing using reflections up to 2.1-Å resolution from only 3,000 and 4,000 indexed images from native and derivative crystals, respectively. When more images were merged, structure solution was possible with data truncated at 3.3-Å resolution, which is the lowest resolution among the reported cases of SFX phasing. Moreover, preliminary SFX experiment showed that HAD13a successfully derivatized the G protein-coupled A2a adenosine receptor crystallized in lipidic cubic phases. These results pave the way for de novo structure determination of membrane proteins, which often diffract poorly, even with the brightest XFEL beams. PMID:27799539

Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent.

PubMed

Nakane, Takanori; Hanashima, Shinya; Suzuki, Mamoru; Saiki, Haruka; Hayashi, Taichi; Kakinouchi, Keisuke; Sugiyama, Shigeru; Kawatake, Satoshi; Matsuoka, Shigeru; Matsumori, Nobuaki; Nango, Eriko; Kobayashi, Jun; Shimamura, Tatsuro; Kimura, Kanako; Mori, Chihiro; Kunishima, Naoki; Sugahara, Michihiro; Takakyu, Yoko; Inoue, Shigeyuki; Masuda, Tetsuya; Hosaka, Toshiaki; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Yabashi, Makina; Inoue, Tsuyoshi; Nureki, Osamu; Iwata, So; Murata, Michio; Mizohata, Eiichi

2016-11-15

The 3D structure determination of biological macromolecules by X-ray crystallography suffers from a phase problem: to perform Fourier transformation to calculate real space density maps, both intensities and phases of structure factors are necessary; however, measured diffraction patterns give only intensities. Although serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) has been steadily developed since 2009, experimental phasing still remains challenging. Here, using 7.0-keV (1.771 Å) X-ray pulses from the SPring-8 Angstrom Compact Free Electron Laser (SACLA), iodine single-wavelength anomalous diffraction (SAD), single isomorphous replacement (SIR), and single isomorphous replacement with anomalous scattering (SIRAS) phasing were performed in an SFX regime for a model membrane protein bacteriorhodopsin (bR). The crystals grown in bicelles were derivatized with an iodine-labeled detergent heavy-atom additive 13a (HAD13a), which contains the magic triangle, I3C head group with three iodine atoms. The alkyl tail was essential for binding of the detergent to the surface of bR. Strong anomalous and isomorphous difference signals from HAD13a enabled successful phasing using reflections up to 2.1-Å resolution from only 3,000 and 4,000 indexed images from native and derivative crystals, respectively. When more images were merged, structure solution was possible with data truncated at 3.3-Å resolution, which is the lowest resolution among the reported cases of SFX phasing. Moreover, preliminary SFX experiment showed that HAD13a successfully derivatized the G protein-coupled A2a adenosine receptor crystallized in lipidic cubic phases. These results pave the way for de novo structure determination of membrane proteins, which often diffract poorly, even with the brightest XFEL beams.

Parental background, social disadvantage, public "care," and psychological problems in adolescence and adulthood.

PubMed

Buchanan, A; Ten Brinke, J; Flouri, E

2000-11-01

To assess whether the structure of the parental background (birth, restructured, widowed, single) or the context (severe social disadvantage or care) in childhood is associated with psychological problems in adolescence and adulthood. Data on 8,441 cohort members of the National Child Development Study were used to explore the impact of parental background on maladjustment at age 16, as assessed by the Rutter A Health and Behaviour Checklist, and psychological distress at age 33, as assessed by the Malaise Inventory. Restructured parenting (without disadvantage or care) was not a risk factor for maladjustment at age 16. Rather, a childhood experience of care or social disadvantage was significantly related to psychosocial problems at age 16. Psychological distress at age 33 was associated with maladjustment at age 16. A childhood experience of care was associated with a tendency to adult psychological distress in men, as was growing up with a single parent. It is not the structure of the family background but the context that is more strongly associated with maladjustment in adolescence. A childhood experience of single parenthood and an experience of care predicted adult psychological distress in men but not in women.

Benzothiadiazole-based polymer for single and double junction solar cells with high open circuit voltage.

PubMed

Venkatesan, Swaminathan; Ngo, Evan C; Chen, Qiliang; Dubey, Ashish; Mohammad, Lal; Adhikari, Nirmal; Mitul, Abu Farzan; Qiao, Qiquan

2014-06-21

Single and double junction solar cells with high open circuit voltage were fabricated using poly{thiophene-2,5-diyl-alt-[5,6-bis(dodecyloxy)benzo[c][1,2,5]thiadiazole]-4,7-diyl} (PBT-T1) blended with fullerene derivatives in different weight ratios. The role of fullerene loading on structural and morphological changes was investigated using atomic force microscopy (AFM) and X-ray diffraction (XRD). The XRD and AFM measurements showed that a higher fullerene mixing ratio led to breaking of inter-chain packing and hence resulted in smaller disordered polymer domains. When the PBT-T1:PC60BM weight ratio was 1 : 1, the polymer retained its structural order; however, large aggregated domains formed, leading to poor device performance due to low fill factor and short circuit current density. When the ratio was increased to 1 : 2 and then 1 : 3, smaller amorphous domains were observed, which improved photovoltaic performance. The 1 : 2 blending ratio was optimal due to adequate charge transport pathways giving rise to moderate short circuit current density and fill factor. Adding 1,8-diiodooctane (DIO) additive into the 1 : 2 blend films further improved both the short circuit current density and fill factor, leading to an increased efficiency to 4.5% with PC60BM and 5.65% with PC70BM. These single junction solar cells exhibited a high open circuit voltage at ∼ 0.9 V. Photo-charge extraction by linearly increasing voltage (Photo-CELIV) measurements showed the highest charge carrier mobility in the 1 : 2 film among the three ratios, which was further enhanced by introducing the DIO. The Photo-CELIV measurements with varying delay times showed significantly higher extracted charge carrier density for cells processed with DIO. Tandem devices using P3HT:IC60BA as bottom cell and PBT-T1:PC60BM as top cell exhibited a high open circuit voltage of 1.62 V with 5.2% power conversion efficiency.

Structure of the Epiphyte Community in a Tropical Montane Forest in SW China

PubMed Central

Zhao, Mingxu; Geekiyanage, Nalaka; Xu, Jianchu; Khin, Myo Myo; Nurdiana, Dian Ridwan; Paudel, Ekananda; Harrison, Rhett Daniel

2015-01-01

Vascular epiphytes are an understudied and particularly important component of tropical forest ecosystems. However, owing to the difficulties of access, little is known about the properties of epiphyte-host tree communities and the factors structuring them, especially in Asia. We investigated factors structuring the vascular epiphyte-host community and its network properties in a tropical montane forest in Xishuangbanna, SW China. Vascular epiphytes were surveyed in six plots located in mature forests. Six host and four micro-site environmental factors were investigated. Epiphyte diversity was strongly correlated with host size (DBH, diameter at breast height), while within hosts the highest epiphyte diversity was in the middle canopy and epiphyte diversity was significantly higher in sites with canopy soil or a moss mat than on bare bark. DBH, elevation and stem height explained 22% of the total variation in the epiphyte species assemblage among hosts, and DBH was the most important factor which alone explained 6% of the variation. Within hosts, 51% of the variation in epiphyte assemblage composition was explained by canopy position and substrate, and the most important single factor was substrate which accounted for 16% of the variation. Analysis of network properties indicated that the epiphyte host community was highly nested, with a low level of epiphyte specialization, and an almost even interaction strength between epiphytes and host trees. Together, these results indicate that large trees harbor a substantial proportion of the epiphyte community in this forest. PMID:25856457

Cross-sectional time trends in psychological and somatic health complaints among adolescents: a structural equation modelling analysis of 'Health Behaviour in School-aged Children' data from Switzerland.

PubMed

Dey, Michelle; Jorm, Anthony F; Mackinnon, Andrew J

2015-08-01

This study examined cross-sectional time trends in health complaints among adolescents living in Switzerland, including differences between population subgroups and sources of differential response to items. Swiss data were analysed from the Health Behaviour in School-aged Children (HBSC; including 11-15 years old) from 1994 (n = 7008), 1998 (n = 8296), 2002 (n = 9066) and 2006 (n = 9255). Structural equation modelling was used to assess (1) the structure of the HBSC Symptom Checklist (HBSC-SCL; questionnaire, which asks about the frequency of eight health complaints) and (2) associations between the HBSC-SCL with year of data collection and demographic characteristics of the participants. Two correlated factors fitted the data better than a single factor. The psychological factor included the items 'feeling low,' 'irritability and bad temper,' 'nervousness' and 'difficulties in getting to sleep,' and the somatic factor the items 'headache', 'backache', 'stomach ache' and 'dizziness'. Relative to 1994, lower levels of psychological health complaints were experienced in 1998, 2002 and 2006. However, the changes were only minor. In contrast, somatic health complaints increased monotonically over the years of the survey. Experiencing psychological and somatic health complaints was more pronounced with age among females relative to males and was associated with living in particular language regions of Switzerland. Different cross-sectional time trends were identified for the psychological and somatic latent variables, indicating that both factors should be investigated when studying period effects.

Structural equation modeling in environmental risk assessment.

PubMed

Buncher, C R; Succop, P A; Dietrich, K N

1991-01-01

Environmental epidemiology requires effective models that take individual observations of environmental factors and connect them into meaningful patterns. Single-factor relationships have given way to multivariable analyses; simple additive models have been augmented by multiplicative (logistic) models. Each of these steps has produced greater enlightenment and understanding. Models that allow for factors causing outputs that can affect later outputs with putative causation working at several different time points (e.g., linkage) are not commonly used in the environmental literature. Structural equation models are a class of covariance structure models that have been used extensively in economics/business and social science but are still little used in the realm of biostatistics. Path analysis in genetic studies is one simplified form of this class of models. We have been using these models in a study of the health and development of infants who have been exposed to lead in utero and in the postnatal home environment. These models require as input the directionality of the relationship and then produce fitted models for multiple inputs causing each factor and the opportunity to have outputs serve as input variables into the next phase of the simultaneously fitted model. Some examples of these models from our research are presented to increase familiarity with this class of models. Use of these models can provide insight into the effect of changing an environmental factor when assessing risk. The usual cautions concerning believing a model, believing causation has been proven, and the assumptions that are required for each model are operative.

Single-particle states in ^112Cd probed with the ^111Cd(d,p) reaction

NASA Astrophysics Data System (ADS)

Garrett, P. E.; Jamieson, D.; Demand, G. A.; Finlay, P.; Green, K. L.; Leach, K. G.; Phillips, A. A.; Sumithrarachchi, C. S.; Svensson, C. E.; Triambak, S.; Wong, J.; Ball, G. C.; Hertenberger, R.; Wirth, H.-F.; Kr"Ucken, R.; Faestermann, T.

2009-10-01

As part of a program of detailed spectroscopy of the Cd isotopes, the single-particle neutron states in ^112Cd have been probed with the ^111Cd(d,p) reaction. Beams of polarized 22 MeV deuterons, obtained from the LMU/TUM Tandem Accelerator, bombarded a target of ^111Cd. The protons from the reaction, corresponding to excitation energies up to 3 MeV in ^112Cd, were momentum analyzed with the Q3D spectrograph. Cross sections and analyzing powers were fit to results of DWBA calculations, and spectroscopic factors were determined. The results from the experiment, and implications for the structure of ^112Cd, will be presented.

Evidence for the Discriminant Validity of the Revised Social Anhedonia Scale From Social Anxiety.

PubMed

Cicero, David C; Krieg, Alexander; Becker, Theresa M; Kerns, John G

2016-10-01

Social anhedonia and social anxiety are two constructs with similar behaviors including avoidance of and withdrawal from social situations. In three studies, the current research aimed to test whether social anhedonia could be discriminated from social anxiety using the most common measure of social anhedonia, the Revised Social Anhedonia Scale (RSAS). In Study 1, an item-level factor analysis of the RSAS found two factors: Social Apathy/Aversion and Social Withdrawal. In Study 2, this two-factor structure was confirmed in a separate sample. In Study 3, a model with social anhedonia and anxiety scale scores loading on separate factors fit better than a model with social anhedonia and anxiety loading on a single factor. Social anhedonia and anxiety displayed differential associations with negative schizotypy and emotion processing. Findings suggest that the RSAS is successful in measuring social anhedonia distinct from social anxiety. © The Author(s) 2015.

Thermal stress cycling of GaAs solar cells

NASA Technical Reports Server (NTRS)

Janousek, B. K.; Francis, R. W.; Wendt, J. P.

1985-01-01

A thermal cycling experiment was performed on GaAs solar cells to establish the electrical and structural integrity of these cells under the temperature conditions of a simulated low-Earth orbit of 3-year duration. Thirty single junction GaAs cells were obtained and tests were performed to establish the beginning-of-life characteristics of these cells. The tests consisted of cell I-V power output curves, from which were obtained short-circuit current, open circuit voltage, fill factor, and cell efficiency, and optical micrographs, spectral response, and ion microprobe mass analysis (IMMA) depth profiles on both the front surfaces and the front metallic contacts of the cells. Following 5,000 thermal cycles, the performance of the cells was reexamined in addition to any factors which might contribute to performance degradation. It is established that, after 5,000 thermal cycles, the cells retain their power output with no loss of structural integrity or change in physical appearance.

Extracting Spectroscopic Factors of Argon Isotopes from Transfer Reactions

NASA Astrophysics Data System (ADS)

Manfredi, Juan; Tsang, M. B.; Lynch, W. G.; Brown, K. W.; Cerizza, G.; Barney, J.; Estee, J.; Loelius, C.; Sweany, S.; Anderson, C.; Setiawan, H.; Winkelbauer, J.; Smith, K.; Lee, J.; Xu, Z.; Rogers, A.; Pruitt, C.; Chajecki, Z.; Chen, G.; Langer, C.; Xiao, Z.; Li, Z.; Niu, C.

2017-09-01

A spectroscopic factor (SF) quantifies the single particle structure of a given state in a nucleus. There is a discrepancy in extracted SF's between studies that use transfer reactions and those that use knockout reactions. Resolving this discrepancy is important both for understanding reaction probes as well as constraining nuclear structure theory. Kinematically complete measurements of the transfer reactions 34Ar(p,d) and 46Ar(p,d) were performed at the National Superconducting Cyclotron Laboratory. The same beam energy (70 MeV/u) was used as in a previous knockout measurement to account for energy dependence in the relevant optical potentials. Preliminary results will be presented. In addition, findings from measurement of the two-neutron transfer reactions 34Ar(p,t) and 4 6 Ar(p,t) will be discussed. This work was supported by the NSF (PHY 1565546) and the DOE NNSA Stewardship Science Graduate Fellowship.

Crystal structure and confirmation of the alanine:glyoxylate aminotransferase activity of the YFL030w yeast protein.

PubMed

Meyer, Philippe; Liger, Dominique; Leulliot, Nicolas; Quevillon-Cheruel, Sophie; Zhou, Cong-Zhao; Borel, Franck; Ferrer, Jean-Luc; Poupon, Anne; Janin, Joël; van Tilbeurgh, Herman

2005-12-01

We have determined the three-dimensional crystal structure of the protein encoded by the open reading frame YFL030w from Saccharomyces cerevisiae to a resolution of 2.6 A using single wavelength anomalous diffraction. YFL030w is a 385 amino-acid protein with sequence similarity to the aminotransferase family. The structure of the protein reveals a homodimer adopting the fold-type I of pyridoxal 5'-phosphate (PLP)-dependent aminotransferases. The PLP co-factor is covalently bound to the active site in the crystal structure. The protein shows close structural resemblance with the human alanine:glyoxylate aminotransferase (EC 2.6.1.44), an enzyme involved in the hereditary kidney stone disease primary hyperoxaluria type 1. In this paper we show that YFL030w codes for an alanine:glyoxylate aminotransferase, highly specific for its amino donor and acceptor substrates.

[Psychometric properties of the Polish version of the Oldenburg Burnout Inventory (OLBI)].

PubMed

Baka, Łukasz; Basińska, Beata A

2016-01-01

The objective of this study was to test the psychometric properties of the Polish version of the Oldenburg Burnout Inventory (OLBI) - its factor structure, reliability, validity and standard norms. The study was conducted on 3 independent samples of 1804, 366 and 48 workers employed in social service and general service professions. To test the OLBI structure the exploratory factor analysis was conducted. The reliability was assessed by means of Cronbach's α coefficient (the internal consistent) and test-retest (the stability over time) method, with a 6-week follow-up. The construct validity of the OLBI was tested by means of correlation analysis, using perceived stress and work engagement as the criterion variables. The result of the factor analysis confirmed a 2-factor structure of the Inventory but the construction of each factor differed from that in the OLBI original version. Therefore, 2 separate factor analyses - each for the single component of job burnout (exhaustion and disengagement from work) - were conducted. The analyses revealed that each of the components consisted of 2 subscales. The reliability of the OLBI was supported by 2 methods. It was also proved that job burnout and its 2 components, exhaustion and disengagement from work, were positively correlated with perceived stress and negatively correlated with work engagement and its 3 components - vigor, absorption and dedication. Despite certain limitations the Polish version of the OLBI shows satisfactory psychometric properties and it can be used to measure job burnout in Polish conditions. This work is available in Open Access model and licensed under a CC BY-NC 3.0 PL license.

Psychometric analysis of the leadership environment scale (LENS): Outcome from the Oregon research initiative on the organisation of nursing (ORION).

PubMed

Ross, Amy M; Ilic, Kelley; Kiyoshi-Teo, Hiroko; Lee, Christopher S

2017-12-26

The purpose of this study was to establish the psychometric properties of the new 16-item leadership environment scale. The leadership environment scale was based on complexity science concepts relevant to complex adaptive health care systems. A workforce survey of direct-care nurses was conducted (n = 1,443) in Oregon. Confirmatory factor analysis, exploratory factor analysis, concordant validity test and reliability tests were conducted to establish the structure and internal consistency of the leadership environment scale. Confirmatory factor analysis indices approached acceptable thresholds of fit with a single factor solution. Exploratory factor analysis showed improved fit with a two-factor model solution; the factors were labelled 'influencing relationships' and 'interdependent system supports'. Moderate to strong convergent validity was observed between the leadership environment scale/subscales and both the nursing workforce index and the safety organising scale. Reliability of the leadership environment scale and subscales was strong, with all alphas ≥.85. The leadership environment scale is structurally sound and reliable. Nursing management can employ adaptive complexity leadership attributes, measure their influence on the leadership environment, subsequently modify system supports and relationships and improve the quality of health care systems. The leadership environment scale is an innovative fit to complex adaptive systems and how nurses act as leaders within these systems. © 2017 John Wiley & Sons Ltd.

An Assessment of the Dimensionality and Factorial Structure of the Revised Paranormal Belief Scale

PubMed Central

Drinkwater, Kenneth; Denovan, Andrew; Dagnall, Neil; Parker, Andrew

2017-01-01

Since its introduction, the Revised Paranormal Belief Scale (RPBS) has developed into a principal measure of belief in the paranormal. Accordingly, the RPBS regularly appears within parapsychological research. Despite common usage, academic debates continue to focus on the factorial structure of the RPBS and its psychometric integrity. Using an aggregated heterogeneous sample (N = 3,764), the present study tested the fit of 10 factorial models encompassing variants of the most commonly proposed solutions (seven, five, two, and one-factor) plus new bifactor alternatives. A comparison of competing models revealed a seven-factor bifactor solution possessed superior data-model fit (CFI = 0.945, TLI = 0.933, IFI = 0.945, SRMR = 0.046, RMSEA = 0.058), containing strong factor loadings for a general factor and weaker, albeit acceptable, factor loadings for seven subfactors. This indicated that belief in the paranormal, as measured by the RPBS, is best characterized as a single overarching construct, comprising several related, but conceptually independent subfactors. Furthermore, women reported significantly higher paranormal belief scores than men, and tests of invariance indicated that mean differences in gender are unlikely to reflect measurement bias. Results indicate that despite concerns about the content and psychometric integrity of the RPBS the measure functions well at both a global and seven-factor level. Indeed, the original seven-factors contaminate alternative solutions. PMID:29018398

An Assessment of the Dimensionality and Factorial Structure of the Revised Paranormal Belief Scale.

PubMed

Drinkwater, Kenneth; Denovan, Andrew; Dagnall, Neil; Parker, Andrew

2017-01-01

Since its introduction, the Revised Paranormal Belief Scale (RPBS) has developed into a principal measure of belief in the paranormal. Accordingly, the RPBS regularly appears within parapsychological research. Despite common usage, academic debates continue to focus on the factorial structure of the RPBS and its psychometric integrity. Using an aggregated heterogeneous sample ( N = 3,764), the present study tested the fit of 10 factorial models encompassing variants of the most commonly proposed solutions (seven, five, two, and one-factor) plus new bifactor alternatives. A comparison of competing models revealed a seven-factor bifactor solution possessed superior data-model fit (CFI = 0.945, TLI = 0.933, IFI = 0.945, SRMR = 0.046, RMSEA = 0.058), containing strong factor loadings for a general factor and weaker, albeit acceptable, factor loadings for seven subfactors. This indicated that belief in the paranormal, as measured by the RPBS, is best characterized as a single overarching construct, comprising several related, but conceptually independent subfactors. Furthermore, women reported significantly higher paranormal belief scores than men, and tests of invariance indicated that mean differences in gender are unlikely to reflect measurement bias. Results indicate that despite concerns about the content and psychometric integrity of the RPBS the measure functions well at both a global and seven-factor level. Indeed, the original seven-factors contaminate alternative solutions.

Droplet barcoding for single-cell transcriptomics applied to embryonic stem cells.

PubMed

Klein, Allon M; Mazutis, Linas; Akartuna, Ilke; Tallapragada, Naren; Veres, Adrian; Li, Victor; Peshkin, Leonid; Weitz, David A; Kirschner, Marc W

2015-05-21

It has long been the dream of biologists to map gene expression at the single-cell level. With such data one might track heterogeneous cell sub-populations, and infer regulatory relationships between genes and pathways. Recently, RNA sequencing has achieved single-cell resolution. What is limiting is an effective way to routinely isolate and process large numbers of individual cells for quantitative in-depth sequencing. We have developed a high-throughput droplet-microfluidic approach for barcoding the RNA from thousands of individual cells for subsequent analysis by next-generation sequencing. The method shows a surprisingly low noise profile and is readily adaptable to other sequencing-based assays. We analyzed mouse embryonic stem cells, revealing in detail the population structure and the heterogeneous onset of differentiation after leukemia inhibitory factor (LIF) withdrawal. The reproducibility of these high-throughput single-cell data allowed us to deconstruct cell populations and infer gene expression relationships. VIDEO ABSTRACT. Copyright © 2015 Elsevier Inc. All rights reserved.

Ideas for future large single dish radio telescopes

NASA Astrophysics Data System (ADS)

Kärcher, Hans J.; Baars, Jacob W. M.

2014-07-01

The existing large single dish radio telescopes of the 100m class (Effelsberg, Green Bank) were built in the 1970s and 1990s. With some active optics they work now down to 3 millimeter wavelength where the atmospheric quality of the site is also a limiting factor. Other smaller single dish telescopes (50m LMT Mexico, 30m IRAM Spain) are located higher and reach sub-millimeter quality, and the much smaller 12m antennas of the ALMA array reach at a very high site the Terahertz region. They use advanced technologies as carbon fiber structures and flexible body control. We review natural limits to telescope design and use the examples of a number of telescopes for an overview of the available state-of-the-art in design, engineering and technologies. Without considering the scientific justification we then offer suggestions to realize ultimate performance of huge single dish telescopes (up to 160m). We provide an outlook on design options, technological frontiers and cost estimates.

Single Mode ZnO Whispering-Gallery Submicron Cavity and Graphene Improved Lasing Performance.

PubMed

Li, Jitao; Lin, Yi; Lu, Junfeng; Xu, Chunxiang; Wang, Yueyue; Shi, Zengliang; Dai, Jun

2015-07-28

Single-mode ultraviolet (UV) laser of ZnO is still in challenge so far, although it has been paid great attention along the past decades. In this work, single-mode lasing resonance was realized in a submicron-sized ZnO rod based on serially varying the dimension of the whispering-gallery mode (WGM) cavities. The lasing performance, such as the lasing quality factor (Q) and the lasing intensity, was remarkably improved by facilely covering monolayer graphene on the ZnO submicron-rod. The mode structure evolution from multimodes to single-mode was investigated systematically based on the total internal-wall reflection of the ZnO microcavities. Graphene-induced optical field confinement and lasing emission enhancement were revealed, indicating an energy coupling between graphene SP and ZnO exciton emission. This result demonstrated the response of graphene in the UV wavelength region and extended its potential applications besides many previous reports on the multifunctional graphene/semiconductor hybrid materials and devices in advanced electronics and optoelectronics areas.

Ferromagnetic Resonance of a Single Magnetochiral Metamolecule of Permalloy

NASA Astrophysics Data System (ADS)

Kodama, Toshiyuki; Tomita, Satoshi; Kato, Takeshi; Oshima, Daiki; Iwata, Satoshi; Okamoto, Satoshi; Kikuchi, Nobuaki; Kitakami, Osamu; Hosoito, Nobuyoshi; Yanagi, Hisao

2016-08-01

We investigate the ferromagnetic resonance (FMR) of a single chiral structure of a ferromagnetic metal—the magnetochiral (MCh) metamolecule. Using a strain-driven self-coiling technique, micrometer-sized MCh metamolecules of metallic permalloy (Py) are fabricated without any residual Py films. The magnetization curves of ten Py MCh metamolecules obtained by an alternating gradient magnetometer show soft magnetic behavior. In cavity FMR with a magnetic-field sweep and coplanar-waveguide (CPW) FMR with a frequency sweep, the Kittel-mode FMR of the single Py metamolecule is observed. The CPW-FMR results, which are consistent with the cavity-FMR results, bring about the effective g factor, effective magnetization, and Gilbert damping of the single metamolecule. Together with calculations using these parameters, the angle-resolved cavity FMR reveals that the magnetization in the Py MCh metamolecule is most likely to be the hollow-bar type of configuration when the external magnetic field is applied parallel to the chiral axis, although the expected magnetization state at remanence is the corkscrew type of configuration.

Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles.

PubMed

Liu, Lichen; Corma, Avelino

2018-05-23

Metal species with different size (single atoms, nanoclusters, and nanoparticles) show different catalytic behavior for various heterogeneous catalytic reactions. It has been shown in the literature that many factors including the particle size, shape, chemical composition, metal-support interaction, and metal-reactant/solvent interaction can have significant influences on the catalytic properties of metal catalysts. The recent developments of well-controlled synthesis methodologies and advanced characterization tools allow one to correlate the relationships at the molecular level. In this Review, the electronic and geometric structures of single atoms, nanoclusters, and nanoparticles will be discussed. Furthermore, we will summarize the catalytic applications of single atoms, nanoclusters, and nanoparticles for different types of reactions, including CO oxidation, selective oxidation, selective hydrogenation, organic reactions, electrocatalytic, and photocatalytic reactions. We will compare the results obtained from different systems and try to give a picture on how different types of metal species work in different reactions and give perspectives on the future directions toward better understanding of the catalytic behavior of different metal entities (single atoms, nanoclusters, and nanoparticles) in a unifying manner.

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

Tsytovich, Vadim, E-mail: tsytov@lpi.ru; Max Planck Institute for Extraterrestrial Physics, Garching; Gusein-zade, Namik

Dust structuring is a natural and universal process in complex plasmas. The scattering of electromagnetic waves by dust structures is governed by the factor of coherency, i.e., the total number of coherent electrons in a single structure. In the present paper, we consider how the factor of coherency changes due to additional pulse electron heating and show that it obeys a hysteresis. After the end of the pulse heating, the scattering intensity differs substantially from that before heating. There are three necessary conditions for scattering hysteresis: first, the radiation wavelength should be larger than the pattern (structure) size; second, themore » total number of coherent electrons confined by the structure should be large; and third, the heating pulse duration should be shorter than the characteristic time of dust structure formation. We present the results of numerical calculations using existing models of self-consistent dust structures with either positively or negatively charged dust grains. It is shown that, depending on the grain charge and the ionization rate, two types of hysteresis are possible: one with a final increase of the scattering and the other with a final decrease of the scattering. It is suggested that the hysteresis of coherent scattering can be used as a tool in laboratory experiments and that it can be a basic mechanism explaining the observed hysteresis in radar scattering by noctilucent clouds during active experiments on electron heating in mesosphere.« less

Substance use and delinquency during adolescence: a prospective look at an at-risk sample.

PubMed

Paradise, Matthew J; Cauce, Ana Mari

2003-01-01

This paper focuses on the relationship between adolescent substance use and delinquent behavior in a sample of homeless young people. Confirmatory factor analyses indicated that delinquency and substance use are best described as discrete factors, and competing theoretical models of the longitudinal association between these two factors were examined using structural equations modeling techniques. The results suggest that delinquent behavior is associated with changes in alcohol, marijuana, and drug use across time. This effect was statistically significant over relatively brief lags in time of six months or less. Combined with previous results, these findings challenge the utility of single-factor explanations of adolescent deviance for at-risk populations and suggest that the relationship between substance use and externalizing across time may be more dynamic than previously thought. Implications for intervention are also discussed.

The truth is out there: the structure of beliefs about extraterrestrial life among Austrian and British respondents.

PubMed

Swami, Viren; Furnham, Adrian; Haubner, Tanja; Stieger, Stefan; Voracek, Martin

2009-02-01

Previous investigators of extraterrestrial beliefs have relied on single-item scales, which limit the researchers' understanding of such beliefs. The present authors report responses to a 37-item scale about extraterrestrial beliefs from 320 participants in Austria and 257 participants in Britain. A factor analysis revealed 3 primary factors that were stable across sites: (a) belief that extraterrestrial life has visited Earth and that governmental agencies have knowledge of this fact, (b) scientific search for extraterrestrial life, and (c) general beliefs about the existence of extraterrestrial life. Participants rated only Factor 3 positively, suggesting that there is a distinction between paranormal-related beliefs and science-related beliefs. The authors found only political orientation and religiosity to be significantly correlated with factor scores. They discuss their results in relation to previous reports of extraterrestrial beliefs.

Genetic and Environmental Architecture of Changes in Episodic Memory from Middle to Late Middle Age

PubMed Central

Panizzon, Matthew S.; Neale, Michael C.; Docherty, Anna R.; Franz, Carol E.; Jacobson, Kristen C.; Toomey, Rosemary; Xian, Hong; Vasilopoulos, Terrie; Rana, Brinda K.; McKenzie, Ruth M.; Lyons, Michael J.; Kremen, William S.

2015-01-01

Episodic memory is a complex construct at both the phenotypic and genetic level. Ample evidence supports age-related cognitive stability and change being accounted for by general and domain-specific factors. We hypothesized that general and specific factors would underlie change even within this single cognitive domain. We examined six measures from three episodic memory tests in a narrow age cohort at middle and late middle age. The factor structure was invariant across occasions. At both timepoints two of three test-specific factors (story recall, design recall) had significant genetic influences independent of the general memory factor. Phenotypic stability was moderate to high, and primarily accounted for by genetic influences, except for one test-specific factor (list learning). Mean change over time was nonsignificant for one test-level factor; one declined; one improved. The results highlight the phenotypic and genetic complexity of memory and memory change, and shed light on an understudied period of life. PMID:25938244

Genetic and environmental architecture of changes in episodic memory from middle to late middle age.

PubMed

Panizzon, Matthew S; Neale, Michael C; Docherty, Anna R; Franz, Carol E; Jacobson, Kristen C; Toomey, Rosemary; Xian, Hong; Vasilopoulos, Terrie; Rana, Brinda K; McKenzie, Ruth; Lyons, Michael J; Kremen, William S

2015-06-01

Episodic memory is a complex construct at both the phenotypic and genetic level. Ample evidence supports age-related cognitive stability and change being accounted for by general and domain-specific factors. We hypothesized that general and specific factors would underlie change even within this single cognitive domain. We examined 6 measures from 3 episodic memory tests in a narrow age cohort at middle and late middle age. The factor structure was invariant across occasions. At both timepoints 2 of 3 test-specific factors (story recall, design recall) had significant genetic influences independent of the general memory factor. Phenotypic stability was moderate to high, and primarily accounted for by genetic influences, except for 1 test-specific factor (list learning). Mean change over time was nonsignificant for 1 test-level factor; 1 declined; 1 improved. The results highlight the phenotypic and genetic complexity of memory and memory change, and shed light on an understudied period of life. (c) 2015 APA, all rights reserved.

Community characteristics associated with child abuse in Iowa.

PubMed

Weissman, Alicia M; Jogerst, Gerald J; Dawson, Jeffrey D

2003-10-01

Various demographic and community characteristics are associated with child abuse rates in national and urban samples, but similar analyses have not been done within rural areas. This study analyzes the relationships between reported and substantiated rates of child abuse and county demographic, health care resource and social services factors in a predominantly rural state in the US. County-level data from Iowa between 1984-1993 were analyzed for associations between county characteristics and rates of child abuse using univariate correlations and multivariate stagewise regression analysis. Population-adjusted rates of reported and substantiated child abuse were correlated with rates of children in poverty, single-parent families, marriage and divorce, unemployment, high-school dropouts, median family income, elder abuse, birth and death rates, numbers of physicians and other healthcare providers, hospital, social workers, and number of caseworkers in the Department of Human Services. Rates of single-parent families, divorce and elder abuse were significantly associated with reported and substantiated child abuse in multivariate analysis, while economic and most health care factors were not. Reporting and substantiation rates differed across districts after adjustment for multiple factors including caseworker workload. In this rural state, family structure is more significantly associated with child abuse report and substantiation rates than are socioeconomic factors. The level of health care resources in a county does not appear to affect these rates.

Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales

NASA Astrophysics Data System (ADS)

Mukherjee, Biswaroop; Peter, Christine; Kremer, Kurt

2017-09-01

Understanding the connections between the characteristic dynamical time scales associated with a coarse-grained (CG) and a detailed representation is central to the applicability of the coarse-graining methods to understand molecular processes. The process of coarse graining leads to an accelerated dynamics, owing to the smoothening of the underlying free-energy landscapes. Often a single time-mapping factor is used to relate the time scales associated with the two representations. We critically examine this idea using a model system ideally suited for this purpose. Single molecular transport properties are studied via molecular dynamics simulations of the CG and atomistic representations of a liquid crystalline, azobenzene containing mesogen, simulated in the smectic and the isotropic phases. The out-of-plane dynamics in the smectic phase occurs via molecular hops from one smectic layer to the next. Hopping can occur via two mechanisms, with and without significant reorientation. The out-of-plane transport can be understood as a superposition of two (one associated with each mode of transport) independent continuous time random walks for which a single time-mapping factor would be rather inadequate. A comparison of the free-energy surfaces, relevant to the out-of-plane transport, qualitatively supports the above observations. Thus, this work underlines the need for building CG models that exhibit both structural and dynamical consistency to the underlying atomistic model.

Single-diffractive production of dijets within the kt-factorization approach

NASA Astrophysics Data System (ADS)

Łuszczak, Marta; Maciuła, Rafał; Szczurek, Antoni; Babiarz, Izabela

2017-09-01

We discuss single-diffractive production of dijets. The cross section is calculated within the resolved Pomeron picture, for the first time in the kt-factorization approach, neglecting transverse momentum of the Pomeron. We use Kimber-Martin-Ryskin unintegrated parton (gluon, quark, antiquark) distributions in both the proton as well as in the Pomeron or subleading Reggeon. The unintegrated parton distributions are calculated based on conventional mmht2014nlo parton distribution functions in the proton and H1 Collaboration diffractive parton distribution functions used previously in the analysis of diffractive structure function and dijets at HERA. For comparison, we present results of calculations performed within the collinear-factorization approach. Our results remain those obtained in the next-to-leading-order approach. The calculation is (must be) supplemented by the so-called gap survival factor, which may, in general, depend on kinematical variables. We try to describe the existing data from Tevatron and make detailed predictions for possible LHC measurements. Several differential distributions are calculated. The E¯T, η ¯ and xp ¯ distributions are compared with the Tevatron data. A reasonable agreement is obtained for the first two distributions. The last one requires introducing a gap survival factor which depends on kinematical variables. We discuss how the phenomenological dependence on one kinematical variable may influence dependence on other variables such as E¯T and η ¯. Several distributions for the LHC are shown.

Solid rocket booster thermal radiation model, volume 1

NASA Technical Reports Server (NTRS)

Watson, G. H.; Lee, A. L.

1976-01-01

A solid rocket booster (SRB) thermal radiation model, capable of defining the influence of the plume flowfield structure on the magnitude and distribution of thermal radiation leaving the plume, was prepared and documented. Radiant heating rates may be calculated for a single SRB plume or for the dual SRB plumes astride the space shuttle. The plumes may be gimbaled in the yaw and pitch planes. Space shuttle surface geometries are simulated with combinations of quadric surfaces. The effect of surface shading is included. The computer program also has the capability to calculate view factors between the SRB plumes and space shuttle surfaces as well as surface-to-surface view factors.

Universal features of fluctuations in globular proteins.

PubMed

Erman, Burak

2016-06-01

Using data from 2000 non-homologous protein crystal structures, we show that the distribution of residue B factors of proteins collapses onto a single master curve. We show by maximum entropy arguments that this curve is a Gamma function whose order and dispersion are obtained from experimental data. The distribution for any given specific protein can be generated from the master curve by a linear transformation. Any perturbation of the B factor distribution of a protein, imposed at constant energy, causes a decrease in the entropy of the protein relative to that of the reference state. Proteins 2016; 84:721-725. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Factors affecting rotator cuff healing.

PubMed

Mall, Nathan A; Tanaka, Miho J; Choi, Luke S; Paletta, George A

2014-05-07

Several studies have noted that increasing age is a significant factor for diminished rotator cuff healing, while biomechanical studies have suggested the reason for this may be an inferior healing environment in older patients. Larger tears and fatty infiltration or atrophy negatively affect rotator cuff healing. Arthroscopic rotator cuff repair, double-row repairs, performing a concomitant acromioplasty, and the use of platelet-rich plasma (PRP) do not demonstrate an improvement in structural healing over mini-open rotator cuff repairs, single-row repairs, not performing an acromioplasty, or not using PRP. There is conflicting evidence to support postoperative rehabilitation protocols using early motion over immobilization following rotator cuff repair.

2'-O-[2-[2-(N,N-Dimethylamino)ethoxy]ethyl] Modified Antisense Oligonucleotides: Symbiosis of Charge Interaction Factors and Stereoelectronic Effects

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

Prhavc, M.; Prakash, T.P.; Minasov, G.

Oligonucleotides with a novel, 2'-O-[2-[2-(N,N-dimethylamino)ethoxy]ethyl] (2'-O-DMAEOE) modification have been synthesized. This modification, a cationic analogue of the 2'-O-(2-methoxyethyl) (2'-O-MOE) modification, exhibits high binding affinity to target RNA (but not to DNA) and exceptional resistance to nuclease degradation. Analysis of the crystal structure of a self-complementary oligonucleotide containing a single 2'-O-DMAEOE modification explains the importance of charge factors and gauche effects on the observed antisense properties. 2'-O-DMAEOE modified oligonucleotides are ideal candidates for antisense drugs.

[Key morphofunctional transformations in the evolution of chiropterans (Bats, Chiroptera)].

PubMed

Kovaleva, I M

2014-01-01

Study on the morphology and morphogenesis of wing membranes in Bats has revealed some peculiarities in their structure and development. Understanding the embryogenesis of these animals, as well as attraction of data obtained on their molecular genetics and paleontology, allows one to single out some factors that could have initiated evolutionary modifications in development programs. A scenario of the key morphofunctional transformations in the forelimbs during the evolution of chiropterans is given.

The Casual Influence of Control Beliefs on Expectations at Work

DTIC Science & Technology

1989-01-01

Olan-Gottlieb, & Heneman, 1979; Wanous, Keon, & Latack , 1983). No single theory or theorist is associated with expectancy theory. Mitchell (1974) stated...Many of the studies reviewed by Campbell and Pritchard (1976) and others have used between-subjects designs. Wanous, Keon, and Latack (1983) reviewed 16...of Levenson’s factor structure. Journal of Personality Assessment, 43, 532-535. Wanous, J. P., Keon, T. L., & Latack , J. C. (1983). Expectancy theory

Single Crystal Diffractometry

NASA Astrophysics Data System (ADS)

Arndt, U. W.; Willis, B. T. M.

2009-06-01

Preface; Acknowledgements; Part I. Introduction; Part II. Diffraction Geometry; Part III. The Design of Diffractometers; Part IV. Detectors; Part V. Electronic Circuits; Part VI. The Production of the Primary Beam (X-rays); Part VII. The Production of the Primary Beam (Neutrons); Part VIII. The Background; Part IX. Systematic Errors in Measuring Relative Integrated Intensities; Part X. Procedure for Measuring Integrated Intensities; Part XI. Derivation and Accuracy of Structure Factors; Part XII. Computer Programs and On-line Control; Appendix; References; Index.

Environmental and Water Quality Operational Studies. Evaluating Changes in Dike Field Fishes with Community Information Indices.

DTIC Science & Technology

1983-06-01

large species lists into single numerical expressions. Species diversity is usually - defined as a function of the number of species (i.e. species...1958, Lloyd and Ghelardi 1964, Pielou 1969). The primary motivation * for calculating species diversity indices based on richness or abundance is...diversity was an intrinsic property in ecological processes and an important factor in defining ecosystem structure and function (McArthur 1955

Self-Criticism: A Measure of Uncompassionate Behaviors Toward the Self, Based on the Negative Components of the Self-Compassion Scale

PubMed Central

Montero-Marín, Jesús; Gaete, Jorge; Demarzo, Marcelo; Rodero, Baltasar; Lopez, Luiz C. Serrano; García-Campayo, Javier

2016-01-01

Background: The use of the Self-Compassion Scale (SCS) as a single measure has been pointed out as problematic by many authors and its originally proposed structure has repeatedly been called into question. The negative facets of this construct are more strongly related to psychopathology than the positive indicators. The aim of this study was to evaluate and compare the different structures proposed for the SCS, including a new measure based only on the negative factors, and to assess the psychometric features of the more plausible solution. Method: The study employed a cross-sectional and cross-cultural design. A sample of Brazilian (n = 406) and Spanish (n = 416) primary care professionals completed the SCS, and other questionnaires to measure psychological health-related variables. The SCS factor structure was estimated using confirmatory factor analysis by the maximum likelihood method. Internal consistency was assessed by squaring the correlation between the latent true variable and the observed variables. The relationships between the SCS and other constructs were analyzed using Spearman's rs. Results: The structure with the best fit was comprised of the three negative first-order factors of “self-judgment”, “isolation” and “over-identification”, and one negative second-order factor, which has been named “self-criticism” [CFI = 0.92; RMSEA = 0.06 (90% CI = 0.05–0.07); SRMR = 0.05]. This solution was supported by both samples, presented partial metric invariance [CFI = 0.91; RMSEA = 0.06 (90% CI = 0.05–0.06); SRMR = 0.06], and showed significant correlations with other health-related psychological constructs. Reliability was adequate for all the dimensions (R ≥ 0.70). Conclusions: The original structure proposed for the SCS was not supported by the data. Self-criticism, comprising only the negative SCS factors, might be a measure of uncompassionate behaviors toward the self, with good psychometric properties and practical implications from a clinical point of view, reaching a stable structure and overcoming possible methodological artifacts. PMID:27625618

A comparative study of two polymorphs of L-aspartic acid hydrochloride.

PubMed

Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine

2014-07-01

Two polymorphs of L-aspartic acid hydrochloride, C4H8NO4(+)·Cl(-), were obtained from the same aqueous solution. Their crystal structures have been determined from single-crystal data collected at 100 K. The crystal structures revealed three- and two-dimensional hydrogen-bonding networks for the triclinic and orthorhombic polymorphs, respectively. The cations and anions are connected to one another via N-H···Cl and O-H···Cl interactions and form alternating cation-anion layer-like structures. The two polymorphs share common structural features; however, the conformations of the L-aspartate cations and the crystal packings are different. Furthermore, the molecular packing of the orthorhombic polymorph contains more interesting interactions which seems to be a favourable factor for more efficient charge transfer within the crystal.

InGaAsP/InP laser development for single-mode, high-data-rate communications

NASA Technical Reports Server (NTRS)

Ladany, I.; Levin, E. R.; Magee, C. W.; Smith, R. T.

1981-01-01

Materials studies as well as general and specific device development were carried out in the InGaAsP system. A comparison was made of three standard methods of evaluating substrate quality by means of dislocation studies. A cause of reduced yield of good wafers, the pullover of melt from one bin to the next, has been analyzed. Difficulties with reproducible zinc acceptor doping have been traced to segregation of zinc in the In/Zn alloy used for the doping source. Using EBIC measurments, the pn junction was shown to drift in location depending on factors not always under control. An analysis of contact structures by SIMS showed that the depth to which the sintered Au/Zn contact penetrates into the structure is typically 0.13 microns, or well within the cap layer and out of the p-type cladding and thus not deleterious to laser prformance. The problem of single-mode laser development was investigated and it was shown to be related to the growth habit over four different possible substrate configurations. The fabrication of constricted double heterojunctions, mesa stripe buried heterostructures, and buried heterostructures was discussed, and measurements were presented on the device properties of single-mode buried heterostructure lasers. Results include single spectral line emission at 3 mW and a threshold current of 60 mA.

Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation

NASA Astrophysics Data System (ADS)

Hudson, Brian D.; George, Ashley R.; Ford, Martyn G.; Livingstone, David J.

1992-04-01

Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study.

Plasmons in Dimensionally Mismatched Coulomb Coupled Graphene Systems.

PubMed

Badalyan, S M; Shylau, A A; Jauho, A P

2017-09-22

We calculate the plasmon dispersion relation for Coulomb coupled metallic armchair graphene nanoribbons and doped monolayer graphene. The crossing of the plasmon curves, which occurs for uncoupled 1D and 2D systems, is split by the interlayer Coulomb coupling into a lower and an upper plasmon branch. The upper branch exhibits an unusual behavior with end points at finite q. Accordingly, the structure factor shows either a single or a double peak behavior, depending on the plasmon wavelength. The new plasmon structure is relevant to recent experiments, its properties can be controlled by varying the system parameters and be used in plasmonic applications.

ARPES investigations of parent compounds of 122 Fe-based superconductors and their 3d transition metal cousins

NASA Astrophysics Data System (ADS)

Richard, Pierre; Zhang, W.-L.; Wu, S.-F.; van Roekeghem, A.; Zhang, P.; Miao, H.; Qian, T.; Nie, S.-M.; Chen, G.-F.; Ding, H.; Xu, N.; Biermann, S.; Capan, C.; Fisk, Z.; Saparov, B. I.; Sefat, A. S.

2015-03-01

It is widely believed that the key ingredients for high-temperature superconductivity are already present in the non-superconducting parent compounds. With its ability to probe the single-particle electronic structure directly in the momentum space, ARPES is a very powerful tool to determine which parameters of the electronic structure are possibly relevant for promoting superconductivity. Here we report ARPES studies on the parent compounds of the 122 family of Fe-based superconductors and their 3 d transition metal pnictide cousins. In particular, we show that the Fe-compound exhibits the largest electronic correlations, possibly a determining factor for unconventional superconductivity.

Quantitative Understanding of SHAPE Mechanism from RNA Structure and Dynamics Analysis.

PubMed

Hurst, Travis; Xu, Xiaojun; Zhao, Peinan; Chen, Shi-Jie

2018-05-10

The selective 2'-hydroxyl acylation analyzed by primer extension (SHAPE) method probes RNA local structural and dynamic information at single nucleotide resolution. To gain quantitative insights into the relationship between nucleotide flexibility, RNA 3D structure, and SHAPE reactivity, we develop a 3D Structure-SHAPE Relationship model (3DSSR) to rebuild SHAPE profiles from 3D structures. The model starts from RNA structures and combines nucleotide interaction strength and conformational propensity, ligand (SHAPE reagent) accessibility, and base-pairing pattern through a composite function to quantify the correlation between SHAPE reactivity and nucleotide conformational stability. The 3DSSR model shows the relationship between SHAPE reactivity and RNA structure and energetics. Comparisons between the 3DSSR-predicted SHAPE profile and the experimental SHAPE data show correlation, suggesting that the extracted analytical function may have captured the key factors that determine the SHAPE reactivity profile. Furthermore, the theory offers an effective method to sieve RNA 3D models and exclude models that are incompatible with experimental SHAPE data.

Against the odds? De novo structure determination of a pilin with two cysteine residues by sulfur SAD.

PubMed

Gorgel, Manuela; Bøggild, Andreas; Ulstrup, Jakob Jensen; Weiss, Manfred S; Müller, Uwe; Nissen, Poul; Boesen, Thomas

2015-05-01

Exploiting the anomalous signal of the intrinsic S atoms to phase a protein structure is advantageous, as ideally only a single well diffracting native crystal is required. However, sulfur is a weak anomalous scatterer at the typical wavelengths used for X-ray diffraction experiments, and therefore sulfur SAD data sets need to be recorded with a high multiplicity. In this study, the structure of a small pilin protein was determined by sulfur SAD despite several obstacles such as a low anomalous signal (a theoretical Bijvoet ratio of 0.9% at a wavelength of 1.8 Å), radiation damage-induced reduction of the cysteines and a multiplicity of only 5.5. The anomalous signal was improved by merging three data sets from different volumes of a single crystal, yielding a multiplicity of 17.5, and a sodium ion was added to the substructure of anomalous scatterers. In general, all data sets were balanced around the threshold values for a successful phasing strategy. In addition, a collection of statistics on structures from the PDB that were solved by sulfur SAD are presented and compared with the data. Looking at the quality indicator R(anom)/R(p.i.m.), an inconsistency in the documentation of the anomalous R factor is noted and reported.

Improved crystal orientation and physical properties from single-shot XFEL stills

DOE PAGES

Sauter, Nicholas K.; Hattne, Johan; Brewster, Aaron S.; ...

2014-11-28

X-ray diffraction patterns from still crystals are inherently difficult to process because the crystal orientation is not uniquely determined by measuring the Bragg spot positions. Only one of the three rotational degrees of freedom is directly coupled to spot positions; the other two rotations move Bragg spots in and out of the reflecting condition but do not change the direction of the diffracted rays. This hinders the ability to recover accurate structure factors from experiments that are dependent on single-shot exposures, such as femtosecond diffract-and-destroy protocols at X-ray free-electron lasers (XFELs). Here, additional methods are introduced to optimally model themore » diffraction. The best orientation is obtained by requiring, for the brightest observed spots, that each reciprocal-lattice point be placed into the exact reflecting condition implied by Bragg's law with a minimal rotation. This approach reduces the experimental uncertainties in noisy XFEL data, improving the crystallographic R factors and sharpening anomalous differences that are near the level of the noise.« less

Artificial intelligence-assisted occupational lung disease diagnosis.

PubMed

Harber, P; McCoy, J M; Howard, K; Greer, D; Luo, J

1991-08-01

An artificial intelligence expert-based system for facilitating the clinical recognition of occupational and environmental factors in lung disease has been developed in a pilot fashion. It utilizes a knowledge representation scheme to capture relevant clinical knowledge into structures about specific objects (jobs, diseases, etc) and pairwise relations between objects. Quantifiers describe both the closeness of association and risk, as well as the degree of belief in the validity of a fact. An independent inference engine utilizes the knowledge, combining likelihoods and uncertainties to achieve estimates of likelihood factors for specific paths from work to illness. The system creates a series of "paths," linking work activities to disease outcomes. One path links a single period of work to a single possible disease outcome. In a preliminary trial, the number of "paths" from job to possible disease averaged 18 per subject in a general population and averaged 25 per subject in an asthmatic population. Artificial intelligence methods hold promise in the future to facilitate diagnosis in pulmonary and occupational medicine.

Oral Motor Abilities Are Task Dependent: A Factor Analytic Approach to Performance Rate.

PubMed

Staiger, Anja; Schölderle, Theresa; Brendel, Bettina; Bötzel, Kai; Ziegler, Wolfram

2017-01-01

Measures of performance rates in speech-like or volitional nonspeech oral motor tasks are frequently used to draw inferences about articulation rate abnormalities in patients with neurologic movement disorders. The study objective was to investigate the structural relationship between rate measures of speech and of oral motor behaviors different from speech. A total of 130 patients with neurologic movement disorders and 130 healthy subjects participated in the study. Rate data was collected for oral reading (speech), rapid syllable repetition (speech-like), and rapid single articulator movements (nonspeech). The authors used factor analysis to determine whether the different rate variables reflect the same or distinct constructs. The behavioral data were most appropriately captured by a measurement model in which the different task types loaded onto separate latent variables. The data on oral motor performance rates show that speech tasks and oral motor tasks such as rapid syllable repetition or repetitive single articulator movements measure separate traits.

Improved crystal orientation and physical properties from single-shot XFEL stills

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

Sauter, Nicholas K.; Hattne, Johan; Brewster, Aaron S.

X-ray diffraction patterns from still crystals are inherently difficult to process because the crystal orientation is not uniquely determined by measuring the Bragg spot positions. Only one of the three rotational degrees of freedom is directly coupled to spot positions; the other two rotations move Bragg spots in and out of the reflecting condition but do not change the direction of the diffracted rays. This hinders the ability to recover accurate structure factors from experiments that are dependent on single-shot exposures, such as femtosecond diffract-and-destroy protocols at X-ray free-electron lasers (XFELs). Here, additional methods are introduced to optimally model themore » diffraction. The best orientation is obtained by requiring, for the brightest observed spots, that each reciprocal-lattice point be placed into the exact reflecting condition implied by Bragg's law with a minimal rotation. This approach reduces the experimental uncertainties in noisy XFEL data, improving the crystallographic R factors and sharpening anomalous differences that are near the level of the noise.« less

Many-Body Effects on Bandgap Shrinkage, Effective Masses, and Alpha Factor

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Ning, C. Z.; Woo, Alex C. (Technical Monitor)

2000-01-01

Many-body Coulomb effects influence the operation of quantum-well (QW) laser diode (LD) strongly. In the present work, we study a two-band electron-hole plasma (EHP) within the Hatree-Fock approximation and the single plasmon pole approximation for static screening. Full inclusion of momentum dependence in the many-body effects is considered. An empirical expression for carrier density dependence of the bandgap renormalization (BGR) in an 8 nm GaAs/Al(0.3)G(4.7)As single QW will be given, which demonstrates a non-universal scaling behavior for quasi-two-dimension structures, due to size-dependent efficiency of screening. In addition, effective mass renormalization (EMR) due to momentum-dependent self-energy many-body correction, for both electrons and holes is studied and serves as another manifestation of the many-body effects. Finally, the effects on carrier density dependence of the alpha factor is evaluated to assess the sensitivity of the full inclusion of momentum dependence.

Identification of delaminations in composite: structural health monitoring software based on spectral estimation and hierarchical genetic algorithm

NASA Astrophysics Data System (ADS)

Nag, A.; Mahapatra, D. Roy; Gopalakrishnan, S.

2003-10-01

A hierarchical Genetic Algorithm (GA) is implemented in a high peformance spectral finite element software for identification of delaminations in laminated composite beams. In smart structural health monitoring, the number of delaminations (or any other modes of damage) as well as their locations and sizes are no way completely known. Only known are the healthy structural configuration (mass, stiffness and damping matrices updated from previous phases of monitoring), sensor measurements and some information about the load environment. To handle such enormous complexity, a hierarchical GA is used to represent heterogeneous population consisting of damaged structures with different number of delaminations and their evolution process to identify the correct damage configuration in the structures under monitoring. We consider this similarity with the evolution process in heterogeneous population of species in nature to develop an automated procedure to decide on what possible damaged configuration might have produced the deviation in the measured signals. Computational efficiency of the identification task is demonstrated by considering a single delamination. The behavior of fitness function in GA, which is an important factor for fast convergence, is studied for single and multiple delaminations. Several advantages of the approach in terms of computational cost is discussed. Beside tackling different other types of damage configurations, further scope of research for development of hybrid soft-computing modules are highlighted.

Latent structures of female sexual functioning.

PubMed

Carvalho, Joana; Vieira, Armando Luís; Nobre, Pedro

2012-08-01

For the last three decades, male and female sexual responses have been conceptualized as similar, based on separated and sequential phases as proposed by the models of Masters and Johnson (1966) and Kaplan (1979) model. However, there is a growing debate around the need to conceptualize female sexual response and the classification of sexual dysfunction in women, in view of the upcoming editions of the DSM and ICD. The aim of this study was to test, using structural equation modeling, five conceptual, alternative models of female sexual function, using a sample of women with sexual difficulties and a sample of women without sexual problems. A total of 1993 Portuguese women participated in the study and completed a modified version of the Female Sexual Function Index. Findings suggested a four-factor solution as the model that best fit the data regarding women presenting sexual difficulties: (1) desire/arousal; (2) lubrication; (3) orgasm; (4) pain/vaginismus. In relation to sexually healthy women, the best model was a five-factor solution comprising of (1) desire; (2) arousal; (3) lubrication; (4) orgasm; and (5) pain/vaginismus. Discriminant validity between factors was supported, suggesting that these dimensions measure distinct phenomena. Model fit to the data significantly decreased in both samples, as models began to successively consider greater levels of overlap among phases of sexual function, towards a single-factor solution. By suggesting the overlap between pain and vaginismus, results partially support the new classification that is currently being discussed regarding DSM-5. Additionally, results on the relationship between sexual desire and arousal were inconclusive as sexually healthy women were better characterized by a five-factor model that considered the structural independence among these factors, whereas women with sexual difficulties better fit with a four-factor model merging sexual desire and subjective sexual arousal.

The German Version of the Herth Hope Index (HHI-D): Development and Psychometric Properties.

PubMed

Geiser, Franziska; Zajackowski, Katharina; Conrad, Rupert; Imbierowicz, Katrin; Wegener, Ingo; Herth, Kaye A; Urbach, Anne Sarah

2015-01-01

The importance of hope is evident in clinical oncological care. Hope is associated with psychological and also physical functioning. However, there is still a dearth of empirical research on hope as a multidimensional concept. The Herth Hope Index is a reliable and valid instrument for the measurement of hope and is available in many languages. Until now no authorized German translation has been published and validated. After translation, the questionnaire was completed by 192 patients with different tumor entities in radiation therapy. Reliability, concurrent validity, and factor structure of the questionnaire were determined. Correlations were high with depression and anxiety as well as optimism and pessimism. As expected, correlations with coping styles were moderate. Internal consistency and test-retest reliability were satisfactory. We could not replicate the original 3-factor model. Application of the scree plot criterion in an exploratory factor analysis resulted in a single-factor structure. The Herth Hope Index - German Version (HHI-D) is a short, reliable, and valid instrument for the assessment of hope in patient populations. We recommend using only the HHI-D total score until further research gives more insights into possible factorial solutions and subscales. © 2015 S. Karger GmbH, Freiburg.

Perceived Stress Scale: confirmatory factor analysis of the PSS14 and PSS10 versions in two samples of pregnant women from the BRISA cohort.

PubMed

Yokokura, Ana Valéria Carvalho Pires; Silva, Antônio Augusto Moura da; Fernandes, Juliana de Kássia Braga; Del-Ben, Cristina Marta; Figueiredo, Felipe Pinheiro de; Barbieri, Marco Antonio; Bettiol, Heloisa

2017-12-18

This study aimed to assess the dimensional structure, reliability, convergent validity, discriminant validity, and scalability of the Perceived Stress Scale (PSS). The sample consisted of 1,447 pregnant women in São Luís (Maranhão State) and 1,400 in Ribeirão Preto (São Paulo State), Brazil. The 14 and 10-item versions of the scale were assessed using confirmatory factor analysis, using weighted least squares means and variance (WLSMV). In both cities, the two-factor models (positive factors, measuring resilience to stressful situations, and negative factors, measuring stressful situations) showed better fit than the single-factor models. The two-factor models for the complete (PSS14) and reduced scale (PSS10) showed good internal consistency (Cronbach's alpha ≥ 0.70). All the factor loadings were ≥ 0.50, except for items 8 and 12 of the negative dimension and item 13 of the positive dimension. The correlations between both dimensions of stress and psychological violence showed the expected magnitude (0.46-0.59), providing evidence of an adequate convergent construct validity. The correlations between the scales' positive and negative dimensions were around 0.74-0.78, less than 0.85, which suggests adequate discriminant validity. Extracted mean variance and scalability were slightly higher for PSS10 than for PSS14. The results were consistent in both cities. In conclusion, the single-factor solution is not recommended for assessing stress in pregnant women. The reduced, 10-item two-factor scale appears to be more appropriate for measuring perceived stress in pregnant women.

Single crystal CVD diamond membranes for betavoltaic cells

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

Delfaure, C.; Pomorski, M., E-mail: michal.pomorski@cea.fr; Sanoit, J. de

2016-06-20

A single crystal diamond large area thin membrane was assembled as a p-doped/Intrinsic/Metal (PIM) structure and used in a betavoltaic configuration. When tested with a 20 keV electron beam from a high resolution scanning electron microscope, we measured an open circuit voltage (V{sub oc}) of 1.85 V, a charge collection efficiency (CCE) of 98%, a fill-factor of 80%, and a total conversion efficiency of 9.4%. These parameters are inherently linked to the diamond membrane PIM structure that allows full device depletion even at 0 V and are among the highest reported up to now for any other material tested for betavoltaic devices. Itmore » enables to drive a high short-circuit current I{sub sc} up to 7.12 μA, to reach a maximum power P{sub max} of 10.48 μW, a remarkable value demonstrating the high-benefit of diamond for the realization of long-life radioisotope based micro-batteries.« less

Label-Free SERS Selective Detection of Dopamine and Serotonin Using Graphene-Au Nanopyramid Heterostructure.

PubMed

Wang, Pu; Xia, Ming; Liang, Owen; Sun, Ke; Cipriano, Aaron F; Schroeder, Thomas; Liu, Huinan; Xie, Ya-Hong

2015-10-20

Ultrasensitive detection and spatially resolved mapping of neurotransmitters, dopamine and serotonin, are critical to facilitate understanding brain functions and investigate the information processing in neural networks. In this work, we demonstrated single molecule detection of dopamine and serotonin using a graphene-Au nanopyramid heterostructure platform. The quasi-periodic Au structure boosts high-density and high-homogeneity hotspots resulting in ultrahigh sensitivity with a surface enhanced Raman spectroscopic (SERS) enhancement factor ∼10(10). A single layer graphene superimposed on a Au structure not only can locate SERS hot spots but also modify the surface chemistry to realize selective enhancement Raman yield. Dopamine and serotonin could be detected and distinguished from each other at 10(-10) M level in 1 s data acquisition time without any pretreatment and labeling process. Moreover, the heterostructure realized nanomolar detection of neurotransmitters in the presence of simulated body fluids. These findings represent a step forward in enabling in-depth studies of neurological processes including those closely related to brain activity mapping (BAM).

Val66Met Polymorphism of BDNF Alters Prodomain Structure to Induce Neuronal Growth Cone Retraction

PubMed Central

Anastasia, Agustin; Deinhardt, Katrin; Chao, Moses V.; Will, Nathan E.; Irmady, Krithi; Lee, Francis S.; Hempstead, Barbara L.; Bracken, Clay

2013-01-01

A common single-nucleotide polymorphism in the human brain-derived neurotrophic factor (BDNF) gene results in a Val66Met substitution in the BDNF prodomain region. This single-nucleotide polymorphism is associated with alterations in memory and with enhanced risk to develop depression and anxiety disorders in humans. Here we show that the isolated BDNF prodomain is detected in the hippocampus and that it can be secreted from neurons in an activity-dependent manner. Using nuclear magnetic resonance spectroscopy and circular dichroism we find that the prodomain is intrinsically disordered, and the Val66Met substitution induces structural changes. Surprisingly, application of Met66 (but not Val66) BDNF prodomain induces acute growth cone retraction and a decrease in Rac activity in hippocampal neurons. Expression of p75NTR and differential engagement of the Met66 prodomain to the SorCS2 receptor are required for this effect. These results identify the Met66 prodomain as a new active ligand which modulates neuronal morphology. PMID:24048383

Diverging Mobility Trajectories: Grandparent Effects on Educational Attainment in One- and Two-Parent Families in the United States.

PubMed

Song, Xi

2016-12-01

In recent years, sociological research investigating grandparent effects in three-generation social mobility has proliferated, mostly focusing on the question of whether grandparents have a direct effect on their grandchildren's social attainment. This study hypothesizes that prior research has overlooked family structure as an important factor that moderates grandparents' direct effects. Capitalizing on a counterfactual causal framework and multigenerational data from the Panel Study of Income Dynamics, this study examines the direct effect of grandparents' years of education on grandchildren's years of educational attainment and heterogeneity in the effects associated with family structure. The results show that for both African Americans and whites, grandparent effects are the strongest for grandchildren who grew up in two-parent families, followed by those in single-parent families with divorced parents. The weakest effects were marked in single-parent families with unmarried parents. These findings suggest that the increasing diversity of family forms has led to diverging social mobility trajectories for families across generations.

Efficiency Improvement Using Molybdenum Disulphide Interlayers in Single-Wall Carbon Nanotube/Silicon Solar Cells

PubMed Central

Alzahly, Shaykha; Yu, LePing; Gibson, Christopher T.

2018-01-01

Molybdenum disulphide (MoS2) is one of the most studied and widely applied nanomaterials from the layered transition-metal dichalcogenides (TMDs) semiconductor family. MoS2 has a large carrier diffusion length and a high carrier mobility. Combining a layered structure of single-wall carbon nanotube (SWCNT) and MoS2 with n-type silicon (n-Si) provided novel SWCNT/n-Si photovoltaic devices. The solar cell has a layered structure with Si covered first by a thin layer of MoS2 flakes and then a SWCNT film. The films were examined using scanning electron microscopy, atomic force microscopy and Raman spectroscopy. The MoS2 flake thickness ranged from 5 to 90 nm while the nanosheet’s lateral dimensions size ranged up to 1 μm2. This insertion of MoS2 improved the photoconversion efficiency (PCE) of the SWCNT/n-Si solar cells by approximately a factor of 2. PMID:29690503

Magnetism of a relaxed single atom vacancy in graphene

NASA Astrophysics Data System (ADS)

Wu, Yunyi; Hu, Yonghong; Xue, Li; Sun, Tieyu; Wang, Yu

2018-04-01

It has been suggested in literature that defects in graphene (e.g. absorbed atoms and vacancies) may induce magnetizations due to unpaired electrons. The nature of magnetism, i.e. ferromagnetic or anti-ferromagnetic, is dependent on a number of structural factors including locations of magnetic moments and lattice symmetry. In the present work we investigated the influence of a relaxed single atom vacancy in garphnene on magnetization which were obtained under different pinning boundary conditions, aiming to achieve a better understanding of the magnetic behaviors of graphene. Through first principles calculations, we found that major spin polarizations occur on atoms that deviate slightly from their original lattice positions, and pinning boundaries could also affect the relaxed positions of atoms and determine which atom(s) would become the main source(s) of total spin polarizations and magnetic moments. When the pinning boundary condition is free, a special non-magnetic and semi-conductive structure may be obtained, suggesting that magnetization should more readily occur under pinning boundary conditions.

Polarization Converter with Controllable Birefringence Based on Hybrid All-Dielectric-Graphene Metasurface

NASA Astrophysics Data System (ADS)

Owiti, Edgar O.; Yang, Hanning; Liu, Peng; Ominde, Calvine F.; Sun, Xiudong

2018-02-01

Previous studies on hybrid dielectric-graphene metasurfaces have been used to implement induced transparency devices, while exhibiting high Q-factors based on trapped magnetic resonances. Typically, the transparency windows are single wavelength and less appropriate for polarization conversion structures. In this work, a quarter-wave plate based on a hybrid silicon-graphene metasurface with controllable birefringence is numerically designed. The phenomena of trapped magnetic mode resonance and high Q-factors are modulated by inserting graphene between silicon and silica. This results in a broader transmission wavelength in comparison to the all-dielectric structure without graphene. The birefringence tunability is based on the dimensions of silicon and the Fermi energy of graphene. Consequently, a linear-to-circular polarization conversion is achieved at a high degree of 96%, in the near-infrared. Moreover, the polarization state of the scattered light is switchable between right and left hand circular polarizations, based on an external gate biasing voltage. Unlike in plasmonic metasurfaces, these achievements demonstrate an efficient structure that is free from radiative and ohmic losses. Furthermore, the ultrathin thickness and the compactness of the structure are demonstrated as key components in realizing integrable and CMOS compatible photonic sensors.

Polarization Converter with Controllable Birefringence Based on Hybrid All-Dielectric-Graphene Metasurface.

PubMed

Owiti, Edgar O; Yang, Hanning; Liu, Peng; Ominde, Calvine F; Sun, Xiudong

2018-02-03

Previous studies on hybrid dielectric-graphene metasurfaces have been used to implement induced transparency devices, while exhibiting high Q-factors based on trapped magnetic resonances. Typically, the transparency windows are single wavelength and less appropriate for polarization conversion structures. In this work, a quarter-wave plate based on a hybrid silicon-graphene metasurface with controllable birefringence is numerically designed. The phenomena of trapped magnetic mode resonance and high Q-factors are modulated by inserting graphene between silicon and silica. This results in a broader transmission wavelength in comparison to the all-dielectric structure without graphene. The birefringence tunability is based on the dimensions of silicon and the Fermi energy of graphene. Consequently, a linear-to-circular polarization conversion is achieved at a high degree of 96%, in the near-infrared. Moreover, the polarization state of the scattered light is switchable between right and left hand circular polarizations, based on an external gate biasing voltage. Unlike in plasmonic metasurfaces, these achievements demonstrate an efficient structure that is free from radiative and ohmic losses. Furthermore, the ultrathin thickness and the compactness of the structure are demonstrated as key components in realizing integrable and CMOS compatible photonic sensors.

The assessment of mindfulness skills: the "what" and the "how".

PubMed

Iani, Luca; Lauriola, Marco; Cafaro, Valentina

2017-10-06

The five facets mindfulness questionnaire-short form (FFMQ-SF) is a new, brief measure for the assessment of mindfulness skills in clinical and nonclinical samples. The construct validity of the FFMQ-SF has not been previously assessed in community samples. The present study investigated the factor structure of the Italian version of the FFMQ-SF. Structured equation modeling was used to test the fit of three alternative models in a sample of highly educated adults (n = 211). A hierarchical model with a single second-order factor loaded by observing, describing, and acting with awareness (i.e. the mindfulness "what" skills) performed slightly better than both a five-factor model with correlated factors and a hierarchical model with a general second-order factor. The FFMQ-SF scores were significantly higher than those reported in both Dutch depressed patients and Australian undergraduate students for all facets (but nonreactivity for the Australian sample). Data support the multifaceted nature of mindfulness skills. Because of its brevity and simplicity of use, the FFMQ-SF is a promising questionnaire in longitudinal and clinical research. This questionnaire can serve as a guideline to help clinicians assess and monitor mindfulness skills acquisition, strengthening, and generalization, and prioritize mindfulness skills that need immediate attention.

The Impact of Dominant Ventricle Morphology on Palliation Outcomes of Single Ventricle Anomalies.

PubMed

Alsoufi, Bahaaldin; Gillespie, Scott; Kim, Dennis; Shashidharan, Subhadra; Kanter, Kirk; Maher, Kevin; Kogon, Brian

2016-08-01

Differences in right ventricle and tricuspid valve structure compared with left ventricle and mitral valve structure make them less equipped to support the systemic circulation long term, with subsequent systemic right ventricle failure. We examined the effect of dominant ventricle morphology on single ventricle palliation outcomes. We grouped 530 neonates who underwent first-stage palliation into two groups based on dominant ventricle morphology: right dominant ventricle (RV group; n = 302, 57%) and left dominant ventricle or functional single ventricle with two well-formed ventricles (LV group; n = 228, 43%). Comparisons of hospital outcomes, interstage mortality, progression to subsequent palliation stages, and late survival was performed, and factors affecting outcomes were examined. After first-stage palliation, the RV group and LV group, respectively, had comparable extracorporeal membrane oxygenation requirements (12% versus 11%, p = 0.648), unplanned reoperation (12% versus 13%, p = 0.586), and hospital death (16% versus 13%, p = 0.437). Among hospital survivors, interstage mortality (11% versus 9%, p = 0.509) and progression to Glenn operation (89% versus 84%, p = 0.182) were comparable; however, death after Glenn was higher in the RV group (10%, versus LV group 4%, p = 0.020) with a trend for lower 8-year survival (66% versus 73%, p = 0.081). On multivariable analysis, dominant RV was not associated with mortality (hazard ratio 0.75, 95% confidence interval: 0.6 to 1.0, p = 0.081), whereas factors such as genetic syndromes, weight 2.5 kg or less, underlying cardiac anomaly, and first-stage palliation type affected survival. At midterm follow-up, underlying cardiac anomaly and patient characteristics affect single ventricle palliation outcomes more than dominant ventricular morphology. As right ventricle and associated tricuspid valve failure might occur at late stages, the impact of dominant ventricular morphology on long-term outcomes requires further assessment. Copyright © 2016 The Society of Thoracic Surgeons. Published by Elsevier Inc. All rights reserved.

Psychometric assessment of the Adult-Adolescent Parenting Inventory in a sample of low-income single mothers.

PubMed

Lutenbacher, M

2001-01-01

The Adult-Adolescent Parenting Inventory (AAPI) is a 32-item inventory widely used to identify adolescents and adults at risk for inadequate parenting behaviors. It includes four subscales representing the most frequent patterns associated with abusive parenting: (a) Inappropriate Expectations; (b) Lack of Empathy; (c) Parental Value of Corporal Punishment; and (d) Parent-Child Role Reversal. Although it has been used in a variety of samples, the psychometric properties of the AAPI have not been examined in low-income single mothers. The purposes of this study were to: (a) examine the reliability and validity of the Adult-Adolescent Parenting Inventory (AAPI) in a sample of 206 low-income single mothers; (b) assess the mother's risk for inadequate parenting by comparing their AAPI subscale scores with normative subscale scores on the AAPI; (c) assess the construct validity of the AAPI by testing the hypothesis that mothers with lower AAPI scores have a higher level of depressive symptoms and lower self-esteem in comparison to mothers with higher AAPI scores; and (d) determine whether the 4-factor structure proposed by Bavolek (1984) could be replicated. AAPI scores indicated these mothers were at high risk for child abuse when compared with normative data for parents with no known history of abuse. Higher risk for abusive parenting was associated with a higher level of depressive symptoms, less education, and unemployment. The subscales, Inappropriate Expectations and Parental Value of Corporal Punishment demonstrated poor internal consistency with Cronbach's alphas of .40 and .54, respectively. Hypothesis testing supported the construct validity of the AAPI. Bavolek's 4-factor structure was not supported. A 19-item modified version of the AAPI with three dimensions was identified. This modified version of the AAPI may provide a more efficacious tool for use with low-income single mothers.

A point mutation in the [2Fe–2S] cluster binding region of the NAF-1 protein (H114C) dramatically hinders the cluster donor properties

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

Tamir, Sagi; Eisenberg-Domovich, Yael; Conlan, Andrea R.

2014-06-01

NAF-1 has been shown to be related with human health and disease, is upregulated in epithelial breast cancer and suppression of its expression significantly suppresses tumor growth. It is shown that replacement of the single His ligand with Cys resulted in dramatic changes to the properties of its 2Fe-2S clusters without any global crystal structural changes. NAF-1 is an important [2Fe–2S] NEET protein associated with human health and disease. A mis-splicing mutation in NAF-1 results in Wolfram Syndrome type 2, a lethal childhood disease. Upregulation of NAF-1 is found in epithelial breast cancer cells, and suppression of NAF-1 expression bymore » knockdown significantly suppresses tumor growth. Key to NAF-1 function is the NEET fold with its [2Fe–2S] cluster. In this work, the high-resolution structure of native NAF-1 was determined to 1.65 Å resolution (R factor = 13.5%) together with that of a mutant in which the single His ligand of its [2Fe–2S] cluster, His114, was replaced by Cys. The NAF-1 H114C mutant structure was determined to 1.58 Å resolution (R factor = 16.0%). All structural differences were localized to the cluster binding site. Compared with native NAF-1, the [2Fe–2S] clusters of the H114C mutant were found to (i) be 25-fold more stable, (ii) have a redox potential that is 300 mV more negative and (iii) have their cluster donation/transfer function abolished. Because no global structural differences were found between the mutant and the native (wild-type) NAF-1 proteins, yet significant functional differences exist between them, the NAF-1 H114C mutant is an excellent tool to decipher the underlying biological importance of the [2Fe–2S] cluster of NAF-1 in vivo.« less

Dimensional crossover and thermoelectric properties in CeTe2-xSbx single crystals

NASA Astrophysics Data System (ADS)

Rhyee, Jong-Soo; Lee, Kyung Eun; Nyeong Kim, Jae; Shim, Ji Hoon; Min, Byeong Hun; Kwon, Yong Seung

2013-03-01

Several years before, we proposed that the charge density wave is a new pathway for high thermoelectric performance in In4Se3-x bulk crystalline materials. (Nature v.459, p. 965, 2009) Recently, from the increase of the chemical potential by halogen doped In4Se3-xH0.03 (H =Halogen elements) crystals, we achieved high ZT (maximum ZT 1.53) over a wide temperature range. (Adv. Mater. v.23, p.2191, 2011) Here we demonstrate the low dimensionality increases power factor in CeTe2-xSbx single crystals. The band structures of CeTe2 show the 2-dimensional (2D) Fermi surface nesting behavior as well as a 3-dimensional (3D) electron Fermi surface hindering the perfect charge density wave (CDW) gap opening. By hole doping with the substitution of Sb at the Te-site, the 3D-like Fermi surface disappears and the 2D perfect CDW gap opening enhances the power factor up to x = 0.1. With further hole doping, the Fermi surfaces become 3-dimensional structure with heavy hole bands. The enhancement of the power factor is observed near the dimensional crossover of CDW, at x = 0.1, where the CDW gap is maximized. This research was supported by Basic Science Research Program (2011-0021335), Mid-career Research Program (Strategy) (No. 2012R1A2A1A03005174) through the National Research Foundation of Korea (NRF) funded by the Ministry of Education, Science and Technology, and TJ Park Junior Faculty Fellowship funded by the POSCO TJ Park Foundation.

Psychosocial issues in children and adolescents with HIV infection evaluated with a World Health Organization age-specific descriptor system.

PubMed

Giannattasio, Antonietta; Officioso, Annunziata; Continisio, Grazia Isabella; Griso, Giovanna; Storace, Cinzia; Coppini, Simonetta; Longhi, Daniela; Mango, Carmela; Guarino, Alfredo; Badolato, Raffaele; Pisacane, Alfredo

2011-01-01

After active antiretroviral therapy, children with HIV are clinically well, whereas psychosocial issues continue to influence their quality of life. The International Classification of Functioning, Disability and Health (ICF) of the World Health Organization evaluates health status and environmental and social factors associated with health. We investigated the efficacy of the ICF to describe the health status and needs of a cohort of children and adolescents with HIV seen at a reference center for pediatric AIDS in Europe. A quantitative analysis of structured interviews was performed. Caregivers of children and adolescents with HIV infection in follow-up at 2 reference centers for pediatric AIDS were enrolled. Four major areas included in the ICF instrument were investigated: impairments of body structures; impairments of body functions; environmental factors; and activity limitations and restrictions to social life. Forty-one families of children with HIV were enrolled. Body structures and functions were marginally impaired, whereas environmental factors and psychosocial issues had a relevant impact on quality of life. Most families considered environmental factors to be "barriers"; these were poverty, unemployment, and single-parent family structure. Activity limitations and social restrictions were also reported in a few cases. Almost all parents reported problems in disclosing their child's HIV status because of the fear of social stigma. Psychosocial issues are part of the well-being of children with HIV. The ICF is a standard tool to evaluate the clinical and psychosocial status of children and adolescents with HIV infection and to measure the impact of therapeutic interventions and strategies on psychosocial functioning.

Performance of a single layer fuel cell based on a mixed proton-electron conducting composite

NASA Astrophysics Data System (ADS)

Zagórski, Krzysztof; Wachowski, Sebastian; Szymczewska, Dagmara; Mielewczyk-Gryń, Aleksandra; Jasiński, Piotr; Gazda, Maria

2017-06-01

Many of the challenges in solid oxide fuel cell technology stem from chemical and mechanical incompatibilities between the anode, cathode and electrolyte materials. Numerous attempts have been made to identify compatible materials. Here, these challenges are circumvented by the introduction of a working single layer fuel cell, fabricated from a composite of proton conducting BaCe0.6Zr0.2Y0.2O3-δ and a mixture of semiconducting oxides - Li2O, NiO, and ZnO. Structural and electrical properties of the composite, related to its fuel cell performance are investigated. The single layer fuel cell shows a maximum OCV of 0.83 V and a peak power density of 3.86 mW cm-2 at 600 °C. Activation and mass transport losses are identified as the major limiting factor for efficiency and power output.

Largely Enhanced Single-molecule Fluorescence in Plasmonic Nanogaps formed by Hybrid Silver Nanostructures

PubMed Central

Zhang, Jian; Lakowicz, Joseph R.

2013-01-01

It has been suggested that narrow gaps between metallic nanostructures can be practical for producing large field enhancement. We design a hybrid silver nanostructure geometry in which fluorescent emitters are sandwiched between silver nanoparticles and silver island film (SIF). A desired number of polyelectrolyte layers are deposited on the SIF surface before the self-assembly of a second silver nanoparticle layer. Layer-by-layer configuration provides a well-defined dye position. It allows us to study the photophyical behaviors of fluorophores in the resulting gap at the single molecule level. The enhancement factor of a fluorophore located in the gap is much higher than those on silver surfaces alone and on glass. These effects may be used for increased detectability of single molecules bound to surfaces which contain metallic structures for either biophysical studies or high sensitivity assays. PMID:23373787

Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies.

PubMed

Soler, Miguel A; de Marco, Ario; Fortuna, Sara

2016-10-10

Nanobodies (VHHs) have proved to be valuable substitutes of conventional antibodies for molecular recognition. Their small size represents a precious advantage for rational mutagenesis based on modelling. Here we address the problem of predicting how Camelidae nanobody sequences can tolerate mutations by developing a simulation protocol based on all-atom molecular dynamics and whole-molecule docking. The method was tested on two sets of nanobodies characterized experimentally for their biophysical features. One set contained point mutations introduced to humanize a wild type sequence, in the second the CDRs were swapped between single-domain frameworks with Camelidae and human hallmarks. The method resulted in accurate scoring approaches to predict experimental yields and enabled to identify the structural modifications induced by mutations. This work is a promising tool for the in silico development of single-domain antibodies and opens the opportunity to customize single functional domains of larger macromolecules.

Molecular dynamics simulations and docking enable to explore the biophysical factors controlling the yields of engineered nanobodies

NASA Astrophysics Data System (ADS)

Soler, Miguel A.; De Marco, Ario; Fortuna, Sara

2016-10-01

Nanobodies (VHHs) have proved to be valuable substitutes of conventional antibodies for molecular recognition. Their small size represents a precious advantage for rational mutagenesis based on modelling. Here we address the problem of predicting how Camelidae nanobody sequences can tolerate mutations by developing a simulation protocol based on all-atom molecular dynamics and whole-molecule docking. The method was tested on two sets of nanobodies characterized experimentally for their biophysical features. One set contained point mutations introduced to humanize a wild type sequence, in the second the CDRs were swapped between single-domain frameworks with Camelidae and human hallmarks. The method resulted in accurate scoring approaches to predict experimental yields and enabled to identify the structural modifications induced by mutations. This work is a promising tool for the in silico development of single-domain antibodies and opens the opportunity to customize single functional domains of larger macromolecules.

Housing Satisfaction of Older (55+) Single-Person Householders in U.S. Rural Communities.

PubMed

Ahn, Mira; Lee, Sung-Jin

2016-08-01

This study aims to understand the housing satisfaction of older (55+) single-person householders in U.S. rural communities using the available variables from a secondary data set, the 2011 American Housing Survey (AHS). In this study, housing satisfaction was considered to be an indicator of quality of life. Based on previous studies, we developed a model to test a hypothesized relationship between older (55+) single-person householders' (N = 1,017) housing satisfaction and their personal, physical, financial, and environmental characteristics. Multiple regression results showed that the model was supported, indicating that significant variables in housing satisfaction include age, gender, health status, age of house, structure type, and unit location. Among the significant variables, health status was revealed to be the strongest factor in housing satisfaction. Housing satisfaction was discussed as potential indicators of quality of life. © The Author(s) 2015.

Topological Constraints and Their Conformational Entropic Penalties on RNA Folds.

PubMed

Mak, Chi H; Phan, Ethan N H

2018-05-08

Functional RNAs can fold into intricate structures using a number of different secondary and tertiary structural motifs. Many factors contribute to the overall free energy of the target fold. This study aims at quantifying the entropic costs coming from the loss of conformational freedom when the sugar-phosphate backbone is subjected to constraints imposed by secondary and tertiary contacts. Motivated by insights from topology theory, we design a diagrammatic scheme to represent different types of RNA structures so that constraints associated with a folded structure may be segregated into mutually independent subsets, enabling the total conformational entropy loss to be easily calculated as a sum of independent terms. We used high-throughput Monte Carlo simulations to simulate large ensembles of single-stranded RNA sequences in solution to validate the assumptions behind our diagrammatic scheme, examining the entropic costs for hairpin initiation and formation of many multiway junctions. Our diagrammatic scheme aids in the factorization of secondary/tertiary constraints into distinct topological classes and facilitates the discovery of interrelationships among multiple constraints on RNA folds. This perspective, which to our knowledge is novel, leads to useful insights into the inner workings of some functional RNA sequences, demonstrating how they might operate by transforming their structures among different topological classes. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

The mental health continuum-short form: The structure and application for cross-cultural studies-A 38 nation study.

PubMed

Żemojtel-Piotrowska, Magdalena; Piotrowski, Jarosław P; Osin, Evgeny N; Cieciuch, Jan; Adams, Byron G; Ardi, Rahkman; Bălţătescu, Sergiu; Bogomaz, Sergey; Bhomi, Arbinda Lal; Clinton, Amanda; de Clunie, Gisela T; Czarna, Anna Z; Esteves, Carla; Gouveia, Valdiney; Halik, Murnizam H J; Hosseini, Ashraf; Khachatryan, Narine; Kamble, Shanmukh Vasant; Kawula, Anna; Lun, Vivian Miu-Chi; Ilisko, Dzintra; Klicperova-Baker, Martina; Liik, Kadi; Letovancova, Eva; Cerrato, Sara Malo; Michalowski, Jaroslaw; Malysheva, Natalia; Marganski, Alison; Nikolic, Marija; Park, Joonha; Paspalanova, Elena; de Leon, Pablo Perez; Pék, Győző; Różycka-Tran, Joanna; Samekin, Adil; Shahbaz, Wahab; Khanh Ha, Truong Thi; Tiliouine, Habib; Van Hiel, Alain; Vauclair, Melanie; Wills-Herrera, Eduardo; Włodarczyk, Anna; Yahiiaev, Illia; Maltby, John

2018-06-01

The Mental Health Continuum-Short Form (MHC-SF) is a brief scale measuring positive human functioning. The study aimed to examine the factor structure and to explore the cross-cultural utility of the MHC-SF using bifactor models and exploratory structural equation modelling. Using multigroup confirmatory analysis (MGCFA) we examined the measurement invariance of the MHC-SF in 38 countries (university students, N = 8,066; 61.73% women, mean age 21.55 years). MGCFA supported the cross-cultural replicability of a bifactor structure and a metric level of invariance between student samples. The average proportion of variance explained by the general factor was high (ECV = .66), suggesting that the three aspects of mental health (emotional, social, and psychological well-being) can be treated as a single dimension of well-being. The metric level of invariance offers the possibility of comparing correlates and predictors of positive mental functioning across countries; however, the comparison of the levels of mental health across countries is not possible due to lack of scalar invariance. Our study has preliminary character and could serve as an initial assessment of the structure of the MHC-SF across different cultural settings. Further studies on general populations are required for extending our findings. © 2018 Wiley Periodicals, Inc.

Population age structure and asset returns: an empirical investigation.

PubMed

Poterba, J M

1998-10-01

"This paper investigates the association between population age structure, particularly the share of the population in the 'prime saving years' 45-60, and the returns on stocks and bonds. The paper is motivated by the claim that the aging of the 'Baby Boom' cohort in the United States is a key factor in explaining the recent rise in asset values. It also addresses the associated claim that asset prices will decline when this large cohort reaches retirement age and begins to reduce its asset holdings. This paper begins by considering household age-asset accumulation profiles. Data from the Survey of Consumer Finances suggest that while cross-sectional age-wealth profiles peak for households in their early 60s, cohort data on the asset ownership of the same households show a much less pronounced peak.... The paper then considers the historical relationship between demographic structure and real returns on Treasury bills, long-term government bonds, and corporate stock. The results do not suggest any robust relationship between demographic structure and asset returns.... The paper concludes by discussing factors such as international capital flows and forward-looking behavior on the part of market participants that could weaken the relationship between age structure and asset returns in a single nation." excerpt

Application of Composite Structures in Bridge Engineering. Problems of Construction Process and Strength Analysis

NASA Astrophysics Data System (ADS)

Flaga, Kazimierz; Furtak, Kazimierz

2015-03-01

Steel-concrete composite structures have been used in bridge engineering from decades. This is due to rational utilisation of the strength properties of the two materials. At the same time, the reinforced concrete (or prestressed) deck slab is more favourable than the orthotropic steel plate used in steel bridges (higher mass, better vibration damping, longer life). The most commonly found in practice are composite girder bridges, particularly in highway bridges of small and medium spans, but the spans may reach over 200 m. In larger spans steel truss girders are applied. Bridge composite structures are also employed in cable-stayed bridge decks of the main girder spans of the order of 600, 800 m. The aim of the article is to present the cionstruction process and strength analysis problems concerning of this type of structures. Much attention is paid to the design and calculation of the shear connectors characteristic for the discussed objects. The authors focused mainly on the issues of single composite structures. The effect of assembly states on the stresses and strains in composite members are highlighted. A separate part of problems is devoted to the influence of rheological factors, i.e. concrete shrinkage and creep, as well as thermal factors on the stresses and strains and redistribution of internal forces.

From cluster structures to nuclear molecules: The role of nodal structure of the single-particle wave functions

NASA Astrophysics Data System (ADS)

Afanasjev, A. V.; Abusara, H.

2018-02-01

The nodal structure of the density distributions of the single-particle states occupied in rod-shaped, hyper- and megadeformed structures of nonrotating and rotating N ˜Z nuclei has been investigated in detail. The single-particle states with the Nilsson quantum numbers of the [N N 0 ]1 /2 (with N from 0 to 5) and [N ,N -1 ,1 ]Ω (with N from 1 to 3 and Ω =1 /2 , 3/2) types are considered. These states are building blocks of extremely deformed shapes in the nuclei with mass numbers A ≤50 . Because of (near) axial symmetry and large elongation of such structures, the wave functions of the single-particle states occupied are dominated by a single basis state in cylindrical basis. This basis state defines the nodal structure of the single-particle density distribution. The nodal structure of the single-particle density distributions allows us to understand in a relatively simple way the necessary conditions for α clusterization and the suppression of the α clusterization with the increase of mass number. It also explains in a natural way the coexistence of ellipsoidal mean-field-type structures and nuclear molecules at similar excitation energies and the features of particle-hole excitations connecting these two types of the structures. Our analysis of the nodal structure of the single-particle density distributions does not support the existence of quantum liquid phase for the deformations and nuclei under study.

Stochastic and Deterministic Crystal Structure Solution Methods in GSAS-II: Monte Carlo/Simulated Annealing Versus Charge Flipping

DOE PAGES

Von Dreele, Robert

2017-08-29

One of the goals in developing GSAS-II was to expand from the capabilities of the original General Structure Analysis System (GSAS) which largely encompassed just structure refinement and post refinement analysis. GSAS-II has been written almost entirely in Python loaded with graphics, GUI and mathematical packages (matplotlib, pyOpenGL, wxpython, numpy and scipy). Thus, GSAS-II has a fully developed modern GUI as well as extensive graphical display of data and results. However, the structure and operation of Python has required new approaches to many of the algorithms used in crystal structure analysis. The extensions beyond GSAS include image calibration/integration as wellmore » as peak fitting and unit cell indexing for powder data which are precursors for structure solution. Structure solution within GSAS-II begins with either Pawley or LeBail extracted structure factors from powder data or those measured in a single crystal experiment. Both charge flipping and Monte Carlo-Simulated Annealing techniques are available; the former can be applied to (3+1) incommensurate structures as well as conventional 3D structures.« less

Development and Validation of a Spanish Version of the Grit-S Scale

PubMed Central

Arco-Tirado, Jose L.; Fernández-Martín, Francisco D.; Hoyle, Rick H.

2018-01-01

This paper describes the development and initial validation of a Spanish version of the Short Grit (Grit-S) Scale. The Grit-S Scale was adapted and translated into Spanish using the Translation, Review, Adjudication, Pre-testing, and Documentation model and responses to a preliminary set of items from a large sample of university students (N = 1,129). The resultant measure was validated using data from a large stratified random sample of young adults (N = 1,826). Initial validation involved evaluating the internal consistency of the adapted scale and its subscales and comparing the factor structure of the adapted version to that of the original scale. The results were comparable to results from similar analyses of the English version of the scale. Although the internal consistency of the subscales was low, the internal consistency of the full scale was well-within the acceptable range. A two-factor model offered an acceptable account of the data; however, when a single correlated error involving two highly similar items was included, a single factor model fit the data very well. The results support the use of overall scores from the Spanish Grit-S Scale in future research. PMID:29467705

A single base pair in the right terminal domain of tomato planta macho viroid is a virulence determinant factor on tomato.

PubMed

Li, Rugang; Padmanabhan, Chellappan; Ling, Kai-Shu

2017-01-01

Tomato planta macho viroid (TPMVd), including isolates previously designated as Mexican papita viroid (MPVd), causes serious disease on tomatoes in North America. Two predominant variants, sharing 93.8% sequence identity, incited distinct severe (MPVd-S) or mild (MPVd-M) symptoms on tomato. To identify virulence determinant factor, a series of chimeric infectious clones were generated using synthetic DNA approach to progressively replace each structural domain between the two variants. In bioassays on tomato 'Rutgers', three chimeras containing Terminal Left and Pathogenicity (MPVd-H1), Central (MPVd-H2), or Variable (MPVd-H3) of MPVd-S, incited mild to intermediate symptoms. However, a chimera containing Terminal Right (T R ) of MPVd-S (MPVd-H4) incited severe symptoms. Only one base-pair mutation in the T R domain between MPVd-M ( 176 U:A 185 ) and MPVd-S ( 174 G:C 183 ) was identified. A reciprocal mutant (MPVd-H5) rendered the chimeric viroid mild on tomato. This single base-pair in the T R domain was determined as the virulence determinant factor for TPMVd. Published by Elsevier Inc.

AIS spectra of desert shrub canopies

NASA Technical Reports Server (NTRS)

Murray, R.; Isaacson, D. L.; Schrumpf, B. J.; Ripple, W. J.; Lewis, A. J.

1986-01-01

Airborne Imaging Spectrometer (AIS) data were collected 30 August 1985 from a desert shrub community in central Oregon. Spectra from artificial targets placed on the test site and from bare soil, big sagebrush (Artemesia tridentata wyomingensis), silver sagebrush (Artemesia cana bolander), and exposed volcanic rocks were studied. Spectral data from grating position 3 (tree mode) were selected from 25 ground positions for analysis by Principal Factor Analysis (PFA). In this grating position, as many as six factors were identified as significant in contributing to spectral structure. Channels 74 through 84 (tree mode) best characterized between-class differences. Other channels were identified as nondiscriminating and as associated with such errors as excessive atmospheric absorption and grating positin changes. The test site was relatively simple with the two species (A. tridentata and A. cana) representing nearly 95% of biomass and with only two mineral backgrounds, a montmorillonitic soil and volcanic rocks. If, as in this study, six factors of spectral structure can be extracted from a single grating position from data acquired over a simple vegetation community, then AIS data must be considered rich in information-gathering potential.

Concurrent validation of CHIRP, a new instrument for measuring healthcare student attitudes towards interdisciplinary teamwork.

PubMed

Hollar, David; Hobgood, Cherri; Foster, Beverly; Aleman, Marco; Sawning, Susan

2012-01-01

Positive attitudes towards teamwork among health care professionals are critical to patient safety. The purpose of this study is to describe the development and concurrent validation of a new instrument to measure attitudes towards healthcare teamwork that is generalizable across various populations of healthcare students. The Collaborative Healthcare Interdisciplinary Planning (CHIRP) scale was validated against the Readiness for Inter-Professional Learning Scale (RIPLS). Analyses included student (n = 266) demographics, ANOVA, internal consistency, factor analysis, and Rasch analysis. The two instruments correlated at r = .582. The CHIRP showed a multifactorial structure having excellent internal consistency (alpha = .850), with 25 of the 36 scale items loading onto a single Teamwork Attitudes factor. The RIPLS likewise had strong internal consistency (alpha = .796) and a three-factor structure, supporting previous studies of the instrument. However, Rasch analyses showed 14 (38.9%) of the 36 CHIRP items, but only four (21.1%) of the 19 RIPLS items remaining within the satisfactory standardized OUTFIT zone of 2.0 standard deviation units. We propose the 14 fitting items as a new, validated teamwork attitudes scale.

Extracting the pair distribution function of liquids and liquid-vapor surfaces by grazing incidence x-ray diffraction mode.

PubMed

Vaknin, David; Bu, Wei; Travesset, Alex

2008-07-28

We show that the structure factor S(q) of water can be obtained from x-ray synchrotron experiments at grazing angle of incidence (in reflection mode) by using a liquid surface diffractometer. The corrections used to obtain S(q) self-consistently are described. Applying these corrections to scans at different incident beam angles (above the critical angle) collapses the measured intensities into a single master curve, without fitting parameters, which within a scale factor yields S(q). Performing the measurements below the critical angle for total reflectivity yields the structure factor of the top most layers of the water/vapor interface. Our results indicate water restructuring at the vapor/water interface. We also introduce a new approach to extract g(r), the pair distribution function (PDF), by expressing the PDF as a linear sum of error functions whose parameters are refined by applying a nonlinear least square fit method. This approach enables a straightforward determination of the inherent uncertainties in the PDF. Implications of our results to previously measured and theoretical predictions of the PDF are also discussed.

Ab Initio Calculation of XAFS Debye-Waller Factors for Crystalline Materials

NASA Astrophysics Data System (ADS)

Dimakis, Nicholas

2007-02-01

A direct an accurate technique for calculating the thermal X-ray absorption fine structure (XAFS) Debye-Waller factors (DWF) for materials of crystalline structure is presented. Using the Density Functional Theory (DFT) under the hybrid X3LYP functional, a library of MnO spin—optimized clusters are built and their phonon spectrum properties are calculated; these properties in the form of normal mode eigenfrequencies and eigenvectors are in turn used for calculation of the single and multiple scattering XAFS DWF. DWF obtained via this technique are temperature dependent expressions and can be used to substantially reduce the number of fitting parameters when experimental spectra are fitted with a hypothetical structure without any ad hoc assumptions. Due to the high computational demand a hybrid approach of mixing the DFT calculated DWF with the correlated Debye model for inner and outer shells respectively is presented. DFT obtained DWFs are compared with corresponding values from experimental XAFS spectra on manganosite. The cluster size effect and the spin parameter on the DFT calculated DWFs are discussed.

X-ray Thomson Scattering in Warm Dense Matter without the Chihara Decomposition.

PubMed

Baczewski, A D; Shulenburger, L; Desjarlais, M P; Hansen, S B; Magyar, R J

2016-03-18

X-ray Thomson scattering is an important experimental technique used to measure the temperature, ionization state, structure, and density of warm dense matter (WDM). The fundamental property probed in these experiments is the electronic dynamic structure factor. In most models, this is decomposed into three terms [J. Chihara, J. Phys. F 17, 295 (1987)] representing the response of tightly bound, loosely bound, and free electrons. Accompanying this decomposition is the classification of electrons as either bound or free, which is useful for gapped and cold systems but becomes increasingly questionable as temperatures and pressures increase into the WDM regime. In this work we provide unambiguous first principles calculations of the dynamic structure factor of warm dense beryllium, independent of the Chihara form, by treating bound and free states under a single formalism. The computational approach is real-time finite-temperature time-dependent density functional theory (TDDFT) being applied here for the first time to WDM. We compare results from TDDFT to Chihara-based calculations for experimentally relevant conditions in shock-compressed beryllium.

Factors affecting GEBV accuracy with single-step Bayesian models.

PubMed

Zhou, Lei; Mrode, Raphael; Zhang, Shengli; Zhang, Qin; Li, Bugao; Liu, Jian-Feng

2018-01-01

A single-step approach to obtain genomic prediction was first proposed in 2009. Many studies have investigated the components of GEBV accuracy in genomic selection. However, it is still unclear how the population structure and the relationships between training and validation populations influence GEBV accuracy in terms of single-step analysis. Here, we explored the components of GEBV accuracy in single-step Bayesian analysis with a simulation study. Three scenarios with various numbers of QTL (5, 50, and 500) were simulated. Three models were implemented to analyze the simulated data: single-step genomic best linear unbiased prediction (GBLUP; SSGBLUP), single-step BayesA (SS-BayesA), and single-step BayesB (SS-BayesB). According to our results, GEBV accuracy was influenced by the relationships between the training and validation populations more significantly for ungenotyped animals than for genotyped animals. SS-BayesA/BayesB showed an obvious advantage over SSGBLUP with the scenarios of 5 and 50 QTL. SS-BayesB model obtained the lowest accuracy with the 500 QTL in the simulation. SS-BayesA model was the most efficient and robust considering all QTL scenarios. Generally, both the relationships between training and validation populations and LD between markers and QTL contributed to GEBV accuracy in the single-step analysis, and the advantages of single-step Bayesian models were more apparent when the trait is controlled by fewer QTL.

Direct Laser Writing of Single-Material Sheets with Programmable Self-Rolling Capability

NASA Astrophysics Data System (ADS)

Bauhofer, Anton; KröDel, Sebastian; Bilal, Osama; Daraio, Chiara; Constantinescu, Andrei

Direct laser writing, a sub-class of two-photon polymerization, facilitates 3D-printing of single-material microstructures with inherent residual stresses. Here we show that controlled distribution of these stresses allows for fast and cost-effective fabrication of structures with programmable self-rolling capability. We investigate 2D sheets that evolve into versatile 3D structures. Precise control over the shape morphing potential is acquired through variations in geometry and writing parameters. Effects of capillary action and gravity were shown to be relevant for very thin sheets (thickness <1.5um) and have been analytically and experimentally quantified. In contrast to that, the deformations of sheets with larger thickness (>1.5um) are dominated by residual stresses and adhesion forces. The presented structures create local tensions up to 180MPa, causing rolling curvatures of 25E3m-1. A comprehensive analytical model that captures the relevant influence factors was developed based on laminate plate theory. The predicted curvature and directionality correspond well with the experimentally obtained data. Potential applications are found in drug encapsulation and particle traps for emulsions with differing surface energies. This work was supported by the Swiss National Science Foundation.

Local density of electromagnetic states in plasmonic nanotapers: spatial resolution limits with nitrogen-vacancy centers in diamond nanospheres.

PubMed

Salas-Montiel, Rafael; Berthel, Martin; Beltran-Madrigal, Josslyn; Huant, Serge; Drezet, Aurélien; Blaize, Sylvain

2017-05-19

One of the most explored single quantum emitters for the development of nanoscale fluorescence lifetime imaging is the nitrogen-vacancy (NV) color center in diamond. An NV center does not experience fluorescence bleaching or blinking at room temperature. Furthermore, its optical properties are preserved when embedded into nanodiamond hosts. This paper focuses on the modeling of the local density of states (LDOS) in a plasmonic nanofocusing structure with an NV center acting as local illumination sources. Numerical calculations of the LDOS near such a nanostructure were done with a classical electric dipole radiation placed inside a diamond sphere as well as near-field optical fluorescence lifetime imaging of the structure. We found that Purcell factors higher than ten can be reached with diamond nanospheres of radius less than 5 nm and at a distance of less than 20 nm from the surface of the structure. Although the spatial resolution of the experiment is limited by the size of the nanodiamond, our work supports the analysis and interpretation of a single NV color center in a nanodiamond as a probe for scanning near-field optical microscopy.

Characterization of IXINITY® (Trenonacog Alfa), a Recombinant Factor IX with Primary Sequence Corresponding to the Threonine-148 Polymorph

PubMed Central

Monroe, Dougald M.; Jenny, Richard J.; Van Cott, Kevin E.; Saward, Laura L.

2016-01-01

The goal of these studies was to extensively characterize the first recombinant FIX therapeutic corresponding to the threonine-148 (Thr-148) polymorph, IXINITY (trenonacog alfa [coagulation factor IX (recombinant)]). Gel electrophoresis, circular dichroism, and gel filtration were used to determine purity and confirm structure. Chromatographic and mass spectrometry techniques were used to identify and quantify posttranslational modifications. Activity was assessed as the ability to activate factor X (FX) both with and without factor VIIIa (FVIIIa) and in a standard clotting assay. All results were consistent across multiple lots. Trenonacog alfa migrated as a single band on Coomassie-stained gels; activity assays were normal and showed <0.002 IU of activated factor IX (FIXa) per IU of FIX. The molecule has >97%  γ-carboxylation and underwent the appropriate structural change upon binding calcium ions. Trenonacog alfa was activated normally with factor XIa (FXIa); once activated it bound to FVIIIa and FXa. When activated to FIXa, it was inhibited efficiently by antithrombin. Glycosylation patterns were similar to plasma-derived FIX with sialic acid content consistent with the literature reports of good pharmacokinetic performance. These studies have shown that trenonacog alfa is a highly pure product with a primary sequence and posttranslational modifications consistent with the common Thr-148 polymorphism of plasma-derived FIX. PMID:26997955

Studies of Landé gJ-factors of singly ionized lanthanum by laser-induced fluorescence spectroscopy

NASA Astrophysics Data System (ADS)

Werbowy, S.; Güney, C.; Windholz, L.

2016-08-01

Laser-induced fluorescence spectroscopy, using a cooled hollow cathode discharge lamp as source of ions, was used to observe the Zeeman splitting of 18 lines of La II in the wavelength range 629.6-680.9 nm, in external intermediate magnetic fields up to 800 G. The recorded hyperfine-Zeeman patterns were analyzed in detail using already known accurate hyperfine structure A- and B-constants. From the recordings the Landé gJ-factors for some levels belonging to the 5d2, 5d6s, 5d6p, 4f5d, 4f6s and 4f6p configurations of La II were determined. The obtained experimental gJ-factors are compared with earlier measurements and theoretical calculations.

Family-Environmental Factors Associated with Attention Deficit Hyperactivity Disorder in Chinese Children: A Case-Control Study

PubMed Central

du Prel Carroll, Xianming; Yi, Honggang; Liang, Yuezhu; Pang, Ke; Leeper-Woodford, Sandra; Riccardi, Patrizia; Liang, Xianhong

2012-01-01

Background Attention deficit hyperactivity disorder (ADHD) is one of the most common psychiatric disorders, affecting an estimated 5 to 12% of school-aged children worldwide. From 15 to 19 million Chinese children suffer from ADHD. The aim of this study was to investigate the association between family-environmental factors and ADHD in a sample of Chinese children. Methods A pair-matched, case-control study was conducted with 161 ADHD children and 161 non-ADHD children of matching age and sex, all from 5–18 years of age. The ADHD subjects and the normal controls were all evaluated via structured diagnostic interviews. We examined the association between family-environmental factors and ADHD using the conditional multiple logistic regression with backward stepwise selection to predict the associated factors of ADHD. Results Having experienced emotional abuse and being a single child were both significant factors associated with children diagnosed with ADHD. ADHD subjects were more likely to have suffered from emotional abuse (OR = 11.09, 95% CI = 2.15–57.29, P = 0.004) and have been a single child in the family (OR = 6.32, 95% CI = 2.09–19.14, P = 0.001) when compared to normal controls. The results were not modified by other confounding factors. Conclusion Our findings provide evidence that family-environmental factors are associated with ADHD among children in China. These findings, if confirmed by future research, may help to decrease ADHD by increasing the awareness of the effects of childhood emotional abuse. PMID:23209774

Generic, network schema agnostic sparse tensor factorization for single-pass clustering of heterogeneous information networks

PubMed Central

Meng, Qinggang; Deng, Su; Huang, Hongbin; Wu, Yahui; Badii, Atta

2017-01-01

Heterogeneous information networks (e.g. bibliographic networks and social media networks) that consist of multiple interconnected objects are ubiquitous. Clustering analysis is an effective method to understand the semantic information and interpretable structure of the heterogeneous information networks, and it has attracted the attention of many researchers in recent years. However, most studies assume that heterogeneous information networks usually follow some simple schemas, such as bi-typed networks or star network schema, and they can only cluster one type of object in the network each time. In this paper, a novel clustering framework is proposed based on sparse tensor factorization for heterogeneous information networks, which can cluster multiple types of objects simultaneously in a single pass without any network schema information. The types of objects and the relations between them in the heterogeneous information networks are modeled as a sparse tensor. The clustering issue is modeled as an optimization problem, which is similar to the well-known Tucker decomposition. Then, an Alternating Least Squares (ALS) algorithm and a feasible initialization method are proposed to solve the optimization problem. Based on the tensor factorization, we simultaneously partition different types of objects into different clusters. The experimental results on both synthetic and real-world datasets have demonstrated that our proposed clustering framework, STFClus, can model heterogeneous information networks efficiently and can outperform state-of-the-art clustering algorithms as a generally applicable single-pass clustering method for heterogeneous network which is network schema agnostic. PMID:28245222

Generic, network schema agnostic sparse tensor factorization for single-pass clustering of heterogeneous information networks.

PubMed

Wu, Jibing; Meng, Qinggang; Deng, Su; Huang, Hongbin; Wu, Yahui; Badii, Atta

2017-01-01

Heterogeneous information networks (e.g. bibliographic networks and social media networks) that consist of multiple interconnected objects are ubiquitous. Clustering analysis is an effective method to understand the semantic information and interpretable structure of the heterogeneous information networks, and it has attracted the attention of many researchers in recent years. However, most studies assume that heterogeneous information networks usually follow some simple schemas, such as bi-typed networks or star network schema, and they can only cluster one type of object in the network each time. In this paper, a novel clustering framework is proposed based on sparse tensor factorization for heterogeneous information networks, which can cluster multiple types of objects simultaneously in a single pass without any network schema information. The types of objects and the relations between them in the heterogeneous information networks are modeled as a sparse tensor. The clustering issue is modeled as an optimization problem, which is similar to the well-known Tucker decomposition. Then, an Alternating Least Squares (ALS) algorithm and a feasible initialization method are proposed to solve the optimization problem. Based on the tensor factorization, we simultaneously partition different types of objects into different clusters. The experimental results on both synthetic and real-world datasets have demonstrated that our proposed clustering framework, STFClus, can model heterogeneous information networks efficiently and can outperform state-of-the-art clustering algorithms as a generally applicable single-pass clustering method for heterogeneous network which is network schema agnostic.

Improved localization accuracy in stochastic super-resolution fluorescence microscopy by K-factor image deshadowing

PubMed Central

Ilovitsh, Tali; Meiri, Amihai; Ebeling, Carl G.; Menon, Rajesh; Gerton, Jordan M.; Jorgensen, Erik M.; Zalevsky, Zeev

2013-01-01

Localization of a single fluorescent particle with sub-diffraction-limit accuracy is a key merit in localization microscopy. Existing methods such as photoactivated localization microscopy (PALM) and stochastic optical reconstruction microscopy (STORM) achieve localization accuracies of single emitters that can reach an order of magnitude lower than the conventional resolving capabilities of optical microscopy. However, these techniques require a sparse distribution of simultaneously activated fluorophores in the field of view, resulting in larger time needed for the construction of the full image. In this paper we present the use of a nonlinear image decomposition algorithm termed K-factor, which reduces an image into a nonlinear set of contrast-ordered decompositions whose joint product reassembles the original image. The K-factor technique, when implemented on raw data prior to localization, can improve the localization accuracy of standard existing methods, and also enable the localization of overlapping particles, allowing the use of increased fluorophore activation density, and thereby increased data collection speed. Numerical simulations of fluorescence data with random probe positions, and especially at high densities of activated fluorophores, demonstrate an improvement of up to 85% in the localization precision compared to single fitting techniques. Implementing the proposed concept on experimental data of cellular structures yielded a 37% improvement in resolution for the same super-resolution image acquisition time, and a decrease of 42% in the collection time of super-resolution data with the same resolution. PMID:24466491

Exploratory factor analysis of the functional movement screen in elite athletes.

PubMed

Li, Yongming; Wang, Xiong; Chen, Xiaoping; Dai, Boyi

2015-01-01

The functional movement screen is developed to examine individuals' movement patterns through 7 functional tasks. The purpose of this study was to identify the internal consistency and factor structure of the 7 tasks of the functional movement screen in elite athletes; 290 elite athletes from a variety of Chinese national teams were assessed using the functional movement screen. Cronbach's alpha was calculated for the scores of the 7 tasks. Exploratory factor analysis was performed to explore the factor structure of the functional movement screen. The mean and standard deviation of the sum score were 15.2 ± 3.0. A low Cronbach's alpha (0.58) was found for the scores of the 7 tasks. Exploratory factor analysis extracted 2 factors with eigenvalues greater than 1, and these 2 factors explained 47.3% of the total variance. The first factor had a high loading on the rotatory stability (loading = 0.99) and low loadings on the other 6 tasks (loading range: 0.04-0.34). The second factor had high loadings on the deep squat, hurdle step and inline lunge (loading range: 0.46-0.61) and low loadings on the other 3 tasks (loading range: 0.12-0.32). The 7 tasks of the functional movement screen had low internal consistency and were not indicators of a single factor. Evidence for unidimensionality was not found for the functional movement screen in elite athletes. More attention should be paid to the score of each task rather than the sum score when we interpret the functional movement screen scores.

A multivariate twin study of the DSM-IV criteria for antisocial personality disorder.

PubMed

Kendler, Kenneth S; Aggen, Steven H; Patrick, Christopher J

2012-02-01

Many assessment instruments for psychopathy are multidimensional, suggesting that distinguishable factors are needed to effectively capture variation in this personality domain. However, no prior study has examined the factor structure of the DSM-IV criteria for antisocial personality disorder (ASPD). Self-report questionnaire items reflecting all A criteria for DSM-IV ASPD were available from 4291 twins (including both members of 1647 pairs) from the Virginia Adult Study of Psychiatric and Substance Use Disorders. Exploratory factor analysis and twin model fitting were performed using, respectively, Mplus and Mx. Phenotypic factor analysis produced evidence for two correlated factors: aggressive-disregard and disinhibition. The best-fitting multivariate twin model included two genetic and one unique environmental common factor, along with criteria-specific genetic and environmental effects. The two genetic factors closely resembled the phenotypic factors and varied in their prediction of a range of relevant criterion variables. Scores on the genetic aggressive-disregard factor score were more strongly associated with risk for conduct disorder, early and heavy alcohol use, and low educational status, whereas scores on the genetic disinhibition factor score were more strongly associated with younger age, novelty seeking, and major depression. From a genetic perspective, the DSM-IV criteria for ASPD do not reflect a single dimension of liability but rather are influenced by two dimensions of genetic risk reflecting aggressive-disregard and disinhibition. The phenotypic structure of the ASPD criteria results largely from genetic and not from environmental influences. Copyright © 2012 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

Superresolution microscope image reconstruction by spatiotemporal object decomposition and association: application in resolving t-tubule structure in skeletal muscle

PubMed Central

Sun, Mingzhai; Huang, Jiaqing; Bunyak, Filiz; Gumpper, Kristyn; De, Gejing; Sermersheim, Matthew; Liu, George; Lin, Pei-Hui; Palaniappan, Kannappan; Ma, Jianjie

2014-01-01

One key factor that limits resolution of single-molecule superresolution microscopy relates to the localization accuracy of the activated emitters, which is usually deteriorated by two factors. One originates from the background noise due to out-of-focus signals, sample auto-fluorescence, and camera acquisition noise; and the other is due to the low photon count of emitters at a single frame. With fast acquisition rate, the activated emitters can last multiple frames before they transiently switch off or permanently bleach. Effectively incorporating the temporal information of these emitters is critical to improve the spatial resolution. However, majority of the existing reconstruction algorithms locate the emitters frame by frame, discarding or underusing the temporal information. Here we present a new image reconstruction algorithm based on tracklets, short trajectories of the same objects. We improve the localization accuracy by associating the same emitters from multiple frames to form tracklets and by aggregating signals to enhance the signal to noise ratio. We also introduce a weighted mean-shift algorithm (WMS) to automatically detect the number of modes (emitters) in overlapping regions of tracklets so that not only well-separated single emitters but also individual emitters within multi-emitter groups can be identified and tracked. In combination with a maximum likelihood estimator method (MLE), we are able to resolve low to medium density of overlapping emitters with improved localization accuracy. We evaluate the performance of our method with both synthetic and experimental data, and show that the tracklet-based reconstruction is superior in localization accuracy, particularly for weak signals embedded in a strong background. Using this method, for the first time, we resolve the transverse tubule structure of the mammalian skeletal muscle. PMID:24921337

Superresolution microscope image reconstruction by spatiotemporal object decomposition and association: application in resolving t-tubule structure in skeletal muscle.

PubMed

Sun, Mingzhai; Huang, Jiaqing; Bunyak, Filiz; Gumpper, Kristyn; De, Gejing; Sermersheim, Matthew; Liu, George; Lin, Pei-Hui; Palaniappan, Kannappan; Ma, Jianjie

2014-05-19

One key factor that limits resolution of single-molecule superresolution microscopy relates to the localization accuracy of the activated emitters, which is usually deteriorated by two factors. One originates from the background noise due to out-of-focus signals, sample auto-fluorescence, and camera acquisition noise; and the other is due to the low photon count of emitters at a single frame. With fast acquisition rate, the activated emitters can last multiple frames before they transiently switch off or permanently bleach. Effectively incorporating the temporal information of these emitters is critical to improve the spatial resolution. However, majority of the existing reconstruction algorithms locate the emitters frame by frame, discarding or underusing the temporal information. Here we present a new image reconstruction algorithm based on tracklets, short trajectories of the same objects. We improve the localization accuracy by associating the same emitters from multiple frames to form tracklets and by aggregating signals to enhance the signal to noise ratio. We also introduce a weighted mean-shift algorithm (WMS) to automatically detect the number of modes (emitters) in overlapping regions of tracklets so that not only well-separated single emitters but also individual emitters within multi-emitter groups can be identified and tracked. In combination with a maximum likelihood estimator method (MLE), we are able to resolve low to medium density of overlapping emitters with improved localization accuracy. We evaluate the performance of our method with both synthetic and experimental data, and show that the tracklet-based reconstruction is superior in localization accuracy, particularly for weak signals embedded in a strong background. Using this method, for the first time, we resolve the transverse tubule structure of the mammalian skeletal muscle.

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures

PubMed Central

Manolakos, Elias S.

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub. PMID:26605332

Environmental versus geographical determinants of genetic structure in two subalpine conifers.

PubMed

Mosca, Elena; González-Martínez, Santiago C; Neale, David B

2014-01-01

Alpine ecosystems are facing rapid human-induced environmental changes, and so more knowledge about tree adaptive potential is needed. This study investigated the relative role of isolation by distance (IBD) versus isolation by adaptation (IBA) in explaining population genetic structure in Abies alba and Larix decidua, based on 231 and 233 single nucleotide polymorphisms (SNPs) sampled across 36 and 22 natural populations, respectively, in the Alps and Apennines. Genetic structure was investigated for both geographical and environmental groups, using analysis of molecular variance (AMOVA). For each species, nine environmental groups were defined using climate variables selected from a multiple factor analysis. Complementary methods were applied to identify outliers based on these groups, and to test for IBD versus IBA. AMOVA showed weak but significant genetic structure for both species, with higher values in L. decidua. Among the potential outliers detected, up to two loci were found for geographical groups and up to seven for environmental groups. A stronger effect of IBD than IBA was found in both species; nevertheless, once spatial effects had been removed, temperature and soil in A. alba, and precipitation in both species, were relevant factors explaining genetic structure. Based on our findings, in the Alpine region, genetic structure seems to be affected by both geographical isolation and environmental gradients, creating opportunities for local adaptation. © 2013 The Authors. New Phytologist © 2013 New Phytologist Trust.

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures.

PubMed

Sharma, Anuj; Manolakos, Elias S

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub.

Pt-Bi Antibonding Interaction: The Key Factor for Superconductivity in Monoclinic BaPt2Bi2.

PubMed

Gui, Xin; Xing, Lingyi; Wang, Xiaoxiong; Bian, Guang; Jin, Rongying; Xie, Weiwei

2018-02-19

In the search for superconductivity in a BaAu 2 Sb 2 -type monoclinic structure, we have successfully synthesized the new compound BaPt 2 Bi 2 , which crystallizes in the space group P2 1 /m (No. 11; Pearson symbol mP10) according to a combination of powder and single-crystal X-ray diffraction and scanning electron microscopy. A sharp electrical resistivity drop and large diamagnetic magnetization below 2.0 K indicates it owns superconducting ground state. This makes BaPt 2 Bi 2 the first reported superconductor in a monoclinic BaAu 2 Sb 2 -type structure, a previously unappreciated structure for superconductivity. First-principles calculations considering spin-orbit coupling indicate that Pt-Bi antibonding interaction plays a critical role in inducing superconductivity.

Disorder in Ag7GeSe5I, a superionic conductor: temperature-dependent anharmonic structural study.

PubMed

Albert, Stéphanie; Pillet, Sébastien; Lecomte, Claude; Pradel, Annie; Ribes, Michel

2008-02-01

A temperature-dependent structural investigation of the substituted argyrodite Ag(7)GeSe(5)I has been carried out on a single crystal from 15 to 475 K, in steps of 50 K, and correlated to its conductivity properties. The argyrodite crystallizes in a cubic cell with the F\\bar 43m space group. The crystal structure exhibits high static and dynamic disorder which has been efficiently accounted for using a combination of (i) Gram-Charlier development of the Debye-Waller factors for iodine and silver, and (ii) a split-atom model for Ag(+) ions. An increased delocalization of the mobile d(10) Ag(+) cations with temperature has been clearly shown by the inspection of the joint probability-density functions; the corresponding diffusion pathways have been determined.

Crucial steps in the structure determination of a coronavirus spike glycoprotein using cryo‐electron microscopy

PubMed Central

Walls, Alexandra; Tortorici, M. Alejandra; Bosch, Berend‐Jan; Frenz, Brandon; Rottier, Peter J. M.; DiMaio, Frank; Rey, Felix A.

2016-01-01

Abstract The tremendous pandemic potential of coronaviruses was demonstrated twice in the last 15 years by two global outbreaks of deadly pneumonia. Entry of coronaviruses into cells is mediated by the transmembrane spike glycoprotein S, which forms a trimer carrying receptor‐binding and membrane fusion functions. Despite their biomedical importance, coronavirus S glycoproteins have proven difficult targets for structural characterization, precluding high‐resolution studies of the biologically relevant trimer. Recent technological developments in single particle cryo‐electron microscopy allowed us to determine the first structure of a coronavirus S glycoprotein trimer which provided a framework to understand the mechanisms of viral entry and suggested potential inhibition strategies for this family of viruses. Here, we describe the key factors that enabled this breakthrough. PMID:27667334

Comparative study of the pentamodal property of four potential pentamode microstructures

NASA Astrophysics Data System (ADS)

Huang, Yan; Lu, Xuegang; Liang, Gongying; Xu, Zhuo

2017-03-01

In this paper, a numerical comparative study is presented on the pentamodal property of four potential pentamode microstructures (three based on simple cubic and one on body-centered cubic structures) based on phonon band calculations. The finite-element method is employed to calculate the band structures, and the two essential factors of the ratio of bulk modulus B to shear modulus G and the single-mode band gap (SBG) are analyzed to quantitatively evaluate the pentamodal property. The results show that all four structures possess a higher B/G ratio than traditional materials. One of the simple cubic structures exhibits the incomplete SBG, while the three other structures exhibit complete SBG to decouple the compression and shear waves in all propagation directions. Further parametric analyses are presented investigating the effects of geometrical and material parameters on the pentamodal property of these structures. This study provides guidelines for the future design of novel pentamode microstructures possessing a high B/G ratio and a low-frequency broadband SBG.

Structural analysis of β-prism lectin from Colocasia esculenta (L.) S chott.

PubMed

Vajravijayan, S; Pletnev, S; Pletnev, V Z; Nandhagopal, N; Gunasekaran, K

2016-10-01

The Mannose-binding β-Prism Colocasia esculenta lectin (β-PCL) was purified from tubers using ion exchange chromatography. The purified β-PCL appeared as a single band of ∼12kDa on SDS-PAGE. β-PCL crystallizes in trigonal space group P3121 and diffracted to a resolution of 2.1Å. The structure was solved using Molecular replacement using Crocus vernus lectin (PDB: 3MEZ) as a model. From the final refined model to an R-factor of 16.5% and an Rfree of 20.4%, it has been observed that the biological unit consists of two β-Prism domains augmented through C-terminals swap over to form one of faces for each domain. Cα superposition of individual domains of β-PCL with individual domains of other related structures and superposition of whole protein structures were carried out. The higher RMS deviation for the superposition of whole structures suggest that β-prism domains assume different orientation in each structure. Copyright © 2016 Elsevier B.V. All rights reserved.

Nonobservable nature of the nuclear shell structure: Meaning, illustrations, and consequences

NASA Astrophysics Data System (ADS)

Duguet, T.; Hergert, H.; Holt, J. D.; Somà, V.

2015-09-01

Background: The concept of single-nucleon shells constitutes a basic pillar of our understanding of nuclear structure. Effective single-particle energies (ESPEs) introduced by French [Proceedings of the International School of Physics "Enrico Fermi," Course XXXVI, Varenna 1965, edited by C. Bloch (Academic Press, New York, 1966)] and Baranger [Nucl. Phys. A 149, 225 (1970), 10.1016/0375-9474(70)90692-5] represent the most appropriate tool to relate many-body observables to a single-nucleon shell structure. As briefly discussed in Duguet and Hagen [Phys. Rev. C 85, 034330 (2012), 10.1103/PhysRevC.85.034330], the dependence of ESPEs on one-nucleon transfer probability matrices makes them purely theoretical quantities that "run" with the nonobservable resolution scale λ employed in the calculation. Purpose: Given that ESPEs provide a way to interpret the many-body problem in terms of simpler theoretical ingredients, the goal is to specify the terms, i.e., the exact sense and conditions, in which this interpretation can be conducted meaningfully. Methods: While the nuclear shell structure is both scale and scheme dependent, the present study focuses on the former. A detailed discussion is provided to illustrate the scale (in)dependence of observables and nonobservables and the reasons why ESPEs, i.e., the shell structure, belong to the latter category. State-of-the-art multireference in-medium similarity renormalization group and self-consistent Gorkov Green's function many-body calculations are employed to corroborate the formal analysis. This is done by comparing the behavior of several observables and of nonobservable ESPEs (and spectroscopic factors) under (quasi) unitary similarity renormalization group transformations of the Hamiltonian parametrized by the resolution scale λ . Results: The formal proofs are confirmed by the results of ab initio many-body calculations in their current stage of implementation. In practice, the unitarity of the similarity transformations is broken owing to the omission of induced many-body interactions beyond three-body operators and to the nonexact treatment of the many-body Schrödinger equation. The impact of this breaking is first characterized by quantifying the artificial running of observables over a (necessarily) finite interval of λ values. Then the genuine running of ESPEs is characterized and shown to be convincingly larger than the one of observables (which would be zero in an exact calculation). Conclusions: The nonobservable nature of the nuclear shell structure, i.e., the fact that it constitutes an intrinsically theoretical object with no counterpart in the empirical world, must be recognized and assimilated. Indeed, the shell structure cannot be determined uniquely from experimental data and cannot be talked about in an absolute sense as it depends on the nonobservable resolution scale employed in the theoretical calculation. It is only at the price of fixing arbitrarily (but conveniently) such a scale that one can establish correlations between observables and the shell structure. To some extent, fixing the resolution scale provides ESPEs (and spectroscopic factors) with a quasi-observable character. Eventually, practitioners can refer to nuclear shells and spectroscopic factors in their analyses of nuclear phenomena if, and only if, they use consistent structure and reaction theoretical schemes based on a fixed resolution scale they have agreed on prior to performing their analysis and comparisons.

Relative Stability of the Scleroglucan Triple-Helix and Single Strand: an Insight from Computational and Experimental Techniques

NASA Astrophysics Data System (ADS)

Bocchinfuso, Gianfranco; Mazzuca, Claudia; Conflitti, Paolo; Cori, Davide; Coviello, Tommasina; Palleschi, Antonio

2016-09-01

Scleroglucan (Sclg) is a polysaccharide that exhibits a triple helix conformation (triplex), both in aqueous solution and in the solid state, which is lost in DMSO solution, at high temperature and at high pH values. The triplex conformation is characterized by a high rigidity, responsible of Sclg peculiar properties. Although the relative stability of triplex and single strand has already been investigated, different structural details are still missing. In the present study, we analyse the structural properties and the factors stabilizing the single chain and the triple helix of Sclg in different conditions. To this end, we simulated both systems in water and in DMSO. The triple helix has been also simulated in the presence of chemical damages on one of the three strands (to reproduce in silico the effect of sonication) or by inducing a partial unfolding of the triplex structure. The computational results have been compared with experimental evidences in which the triplex denaturation, at alkaline pH values, has been followed by monitoring the UV and CD spectra of Congo red, used as a probe molecule. Our results indicate that sonication breaks the Sclg chains without appreciably changing the stability of the other tracts of triple helix. The simulated perturbed or partially unfolded triplexes show a clear tendency to form less ordered aggregates. Finally, our simulations put in evidence an important role of the hydrophobic interactions both in the triplex stability and in the aggregation processes observed after induced denaturation.

Single-mode surface plasmon distributed feedback lasers.

PubMed

Karami Keshmarzi, Elham; Tait, R Niall; Berini, Pierre

2018-03-29

Single-mode surface plasmon distributed feedback (DFB) lasers are realized in the near infrared using a two-dimensional non-uniform long-range surface plasmon polariton structure. The surface plasmon mode is excited onto a 20 nm-thick, 1 μm-wide metal stripe (Ag or Au) on a silica substrate, where the stripe is stepped in width periodically, forming a 1st order Bragg grating. Optical gain is provided by optically pumping a 450 nm-thick IR-140 doped PMMA layer as the top cladding, which covers the entire length of the Bragg grating, thus creating a DFB laser. Single-mode lasing peaks of very narrow linewidth were observed for Ag and Au DFBs near 882 nm at room temperature. The narrow linewidths are explained by the low spontaneous emission rate into the surface plasmon lasing mode as well as the high quality factor of the DFB structure. The lasing emission is exclusively TM polarized. Kinks in light-light curves accompanied by spectrum narrowing were observed, from which threshold pump power densities can be clearly identified (0.78 MW cm-2 and 1.04 MW cm-2 for Ag and Au DFB lasers, respectively). The Schawlow-Townes linewidth for our Ag and Au DFB lasers is estimated and very narrow linewidths are predicted for the lasers. The lasers are suitable as inexpensive, recyclable and highly coherent sources of surface plasmons, or for integration with other surface plasmon elements of similar structure.

Synthesis and excellent field emission properties of three-dimensional branched GaN nanowire homostructures

NASA Astrophysics Data System (ADS)

Li, Enling; Sun, Lihe; Cui, Zhen; Ma, Deming; Shi, Wei; Wang, Xiaolin

2016-10-01

Three-dimensional branched GaN nanowire homostructures have been synthesized on the Si substrate via a two-step approach by chemical vapor deposition. Structural characterization reveals that the single crystal GaN nanowire trunks have hexagonal wurtzite characteristics and grow along the [0001] direction, while the homoepitaxial single crystal branches grow in a radial direction from the six-sided surfaces of the trunks. The field emission measurements demonstrate that the branched GaN nanowire homostructures have excellent field emission properties, with low turn-on field at 2.35 V/μm, a high field enhancement factor of 2938, and long emission current stability. This indicates that the present branched GaN nanowire homostructures will become valuable for practical field emission applications.

Quantum entanglement of high angular momenta.

PubMed

Fickler, Robert; Lapkiewicz, Radek; Plick, William N; Krenn, Mario; Schaeff, Christoph; Ramelow, Sven; Zeilinger, Anton

2012-11-02

Single photons with helical phase structures may carry a quantized amount of orbital angular momentum (OAM), and their entanglement is important for quantum information science and fundamental tests of quantum theory. Because there is no theoretical upper limit on how many quanta of OAM a single photon can carry, it is possible to create entanglement between two particles with an arbitrarily high difference in quantum number. By transferring polarization entanglement to OAM with an interferometric scheme, we generate and verify entanglement between two photons differing by 600 in quantum number. The only restrictive factors toward higher numbers are current technical limitations. We also experimentally demonstrate that the entanglement of very high OAM can improve the sensitivity of angular resolution in remote sensing.

Labour migration and the single European market: a synthetic and prospective note.

PubMed

Ardittis, S

1990-12-01

"The present paper is an attempt to analyse and forecast the following major issues relating to migration in Europe after 1992: (i) the evolution and structure of intra-European flows in the forthcoming single European market; (ii) the integration, after 1992, of established immigrant communities, including ethnic minorities and second generation groups; (iii) future immigration from non-EC member states.... The article explains that, in addition to policy-related mutations inherent in the completion of the internal market, other factors (demographic changes and insufficient enrolment of national graduate students in key disciplines) and issues (emergence of atypical groups such as second generation and Eastern European migrants), are due to generate new patterns and modified interests in European labour migration after 1992." excerpt

Transcription factor clusters regulate genes in eukaryotic cells

PubMed Central

Hedlund, Erik G; Friemann, Rosmarie; Hohmann, Stefan

2017-01-01

Transcription is regulated through binding factors to gene promoters to activate or repress expression, however, the mechanisms by which factors find targets remain unclear. Using single-molecule fluorescence microscopy, we determined in vivo stoichiometry and spatiotemporal dynamics of a GFP tagged repressor, Mig1, from a paradigm signaling pathway of Saccharomyces cerevisiae. We find the repressor operates in clusters, which upon extracellular signal detection, translocate from the cytoplasm, bind to nuclear targets and turnover. Simulations of Mig1 configuration within a 3D yeast genome model combined with a promoter-specific, fluorescent translation reporter confirmed clusters are the functional unit of gene regulation. In vitro and structural analysis on reconstituted Mig1 suggests that clusters are stabilized by depletion forces between intrinsically disordered sequences. We observed similar clusters of a co-regulatory activator from a different pathway, supporting a generalized cluster model for transcription factors that reduces promoter search times through intersegment transfer while stabilizing gene expression. PMID:28841133

The nutrition policy process: the role of strategic capacity in advancing national nutrition agendas.

PubMed

Pelletier, David L; Menon, Purnima; Ngo, Tien; Frongillo, Edward A; Frongillo, Dominic

2011-06-01

Undernutrition is the single largest contributor to the burden of disease in developing countries and has documented effects on social and economic development, yet progress in reducing undernutrition remains slow. This paper identifies the range of factors that have influenced the nutrition agenda in developing countries, in order to inform the implementation of three major global initiatives related to undernutrition. Data sources include interviews with nutrition practitioners at the national and international level, written accounts from six African countries, and observations of the policy process in five countries. Data were thematically coded to identify recurrent factors that facilitated or inhibited progress in addressing undernutrition. The data reveal the following: First, societal conditions and catalytic events pose a variety of challenges and opportunities to enlarge and shape the nutrition agenda. Some countries have been successful in using such opportunities, while others have been less successful and there have been some unintended consequences. Second, disagreements over interventions and strategies are an almost universal feature of the nutrition policy process, occur primarily among mid-level actors rather than among politicians or senior administrators, and are primarily the product of structural factors such as organizational mandates, interests, and differences in professional perspectives. Third, many of these structural factors can be molded, aligned, and/or circumvented through strategic action on the part of the mid-level actors to strengthen movement on the nutrition agenda. This evidence that strategic action can redirect and/or overcome the effects of structural factors has important implications for future efforts to advance the nutrition agenda.

Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance.

PubMed

Hishiki, Asami; Hara, Kodai; Ikegaya, Yuzu; Yokoyama, Hideshi; Shimizu, Toshiyuki; Sato, Mamoru; Hashimoto, Hiroshi

2015-05-22

HLTF (helicase-like transcription factor) is a yeast RAD5 homolog found in mammals. HLTF has E3 ubiquitin ligase and DNA helicase activities, and plays a pivotal role in the template-switching pathway of DNA damage tolerance. HLTF has an N-terminal domain that has been designated the HIRAN (HIP116 and RAD5 N-terminal) domain. The HIRAN domain has been hypothesized to play a role in DNA binding; however, the structural basis of, and functional evidence for, the HIRAN domain in DNA binding has remained unclear. Here we show for the first time the crystal structure of the HIRAN domain of human HLTF in complex with DNA. The HIRAN domain is composed of six β-strands and two α-helices, forming an OB-fold structure frequently found in ssDNA-binding proteins, including in replication factor A (RPA). Interestingly, this study reveals that the HIRAN domain interacts with not only with a single-stranded DNA but also with a duplex DNA. Furthermore, the structure unexpectedly clarifies that the HIRAN domain specifically recognizes the 3'-end of DNA. These results suggest that the HIRAN domain functions as a sensor to the 3'-end of the primer strand at the stalled replication fork and that the domain facilitates fork regression. HLTF is recruited to a damaged site through the HIRAN domain at the stalled replication fork. Furthermore, our results have implications for the mechanism of template switching. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Investigation of radiation damage tolerance in interface-containing metallic nano structures

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

Greer, Julia R.

The proposed work seeks to conduct a basic study by applying experimental and computational methods to obtain quantitative influence of helium sink strength and proximity on He bubble nucleation and growth in He-irradiated nano-scale metallic structures, and the ensuing deformation mechanisms and mechanical properties. We utilized a combination of nano-scale in-situ tension and compression experiments on low-energy He-irradiated samples combined with site-specific microstructural characterization and modeling efforts. We also investigated the mechanical deformation of nano-architected materials, i.e. nanolattices which are comprised of 3-dimensional interwoven networks of hollow tubes, with the wall thickness in the nanometer range. This systematic approach willmore » provide us with critical information for identifying key factors that govern He bubble nucleation and growth upon irradiation as a function of both sink strength and sink proximity through an experimentally-confirmed physical understanding. As an outgrowth of these efforts, we performed irradiations with self-ions (Ni 2+) on Ni-Al-Zr metallic glass nanolattices to assess their resilience against radiation damage rather than He-ion implantation. We focused our attention on studying individual bcc/fcc interfaces within a single nano structure (nano-pillar or a hollow tube): a single Fe (bcc)-Cu (fcc) boundary per pillar oriented perpendicular to the pillar axes, as well as pure bcc and fcc nano structures. Additional interfaces of interest include bcc/bcc and metal/metallic glass all within a single nano-structure volume. The model material systems are: (1) pure single crystalline Fe and Cu, (2) a single Fe (bcc)-Cu (fcc) boundary per nano structure (3) a single metal–metallic glass, all oriented non-parallel to the loading direction so that their fracture strength can be tested. A nano-fabrication approach, which involves e-beam lithography and templated electroplating, as well as two-photon lithography, was utilized, which enabled precise control of the initial microstructure control. Experimentally determined stress-strain relationships were enhanced by in-situ SEM observations coupled with TEM microstructural characterization of the same samples before and after deformation (irradiated and as-fabricated) and atomistic (MD) modeling. A comprehensive suite of experiments was conducted to quantitatively assess the key parameters for He bubble nucleation and growth by independently varying the sink strength, sink proximity, and He implantation temperature and dose. The implantations were conducted at Sandia and Los Alamos National Labs (CINT). Nano structuress containing He-enriched interfaces and irradiation-damaged microstructure were tested under uniaxial tension to assess embrittlement, resulting boundary strength, and deformation mechanisms. Results of this work helped identify which types of interfaces are particularly resilient against radiation damage.« less