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Sample records for laktierenden ratten vpt

  1. Systematic Comparison of Brain Imaging Meta-Analyses of ToM with vPT

    PubMed Central

    Schurz, Matthias; Perner, Josef

    2017-01-01

    In visual perspective taking (vPT) one has to concern oneself with what other people see and how they see it. Since seeing is a mental state, developmental studies have discussed vPT within the domain of “theory of mind (ToM)” but imaging studies have not treated it as such. Based on earlier results from several meta-analyses, we tested for the overlap of visual perspective taking studies with 6 different kinds of ToM studies: false belief, trait judgments, strategic games, social animations, mind in the eyes, and rational actions. Joint activation was observed between the vPT task and some kinds of ToM tasks in regions involving the left temporoparietal junction (TPJ), anterior precuneus, left middle occipital gyrus/extrastriate body area (EBA), and the left inferior frontal and precentral gyrus. Importantly, no overlap activation was found for the vPT tasks with the joint core of all six kinds of ToM tasks. This raises the important question of what the common denominator of all tasks that fall under the label of “theory of mind” is supposed to be if visual perspective taking is not one of them. PMID:28367446

  2. Systematic Comparison of Brain Imaging Meta-Analyses of ToM with vPT.

    PubMed

    Arora, Aditi; Schurz, Matthias; Perner, Josef

    2017-01-01

    In visual perspective taking (vPT) one has to concern oneself with what other people see and how they see it. Since seeing is a mental state, developmental studies have discussed vPT within the domain of "theory of mind (ToM)" but imaging studies have not treated it as such. Based on earlier results from several meta-analyses, we tested for the overlap of visual perspective taking studies with 6 different kinds of ToM studies: false belief, trait judgments, strategic games, social animations, mind in the eyes, and rational actions. Joint activation was observed between the vPT task and some kinds of ToM tasks in regions involving the left temporoparietal junction (TPJ), anterior precuneus, left middle occipital gyrus/extrastriate body area (EBA), and the left inferior frontal and precentral gyrus. Importantly, no overlap activation was found for the vPT tasks with the joint core of all six kinds of ToM tasks. This raises the important question of what the common denominator of all tasks that fall under the label of "theory of mind" is supposed to be if visual perspective taking is not one of them.

  3. Mercaptursäure und Nukleosidaddukt im Harn als Biomarker in 1-Hydroxymethylpyren-exponierten Ratten

    NASA Astrophysics Data System (ADS)

    Ma, Lan

    2002-01-01

    1-Methylpyren (MP) ist hepatokanzerogen in neugeborenen männlichen Mäusen. Durch Hydroxylierung an der benzylischen Stelle und anschließende Sulfonierung wird MP zu DNA-reaktivem 1-Sulfooxymethylpyren (SMP) aktiviert. In der Ratte führt die Exposition des benzylischen Alkohols, 1-Hydroxymethylpyren (HMP), zur DNA-Adduktbildung in verschiedenen Geweben. Eventuelle Konsequenz der Toxifizierung ist die Ausscheidung entsprechender Mercaptursäure und Nukleosidaddukt im Harn, welche aufgrund ihrer Herkunft als Biomarker eignen könnten. In dieser Arbeit wird die Ausscheidung der Mercaptursäure und des N2-Desoxyguanosinadduktes in HMP-exponierten Ratten untersucht. Nach der Applikation von HMP bzw. MP wurden weniger als 1 % der Dosis als MPMA über Urin und Faeces ausgeschieden (0 - 48 h). Die Ausscheidung erfolgt hauptsächlich in den ersten 24 h nach der Applikation. MPdG konnte weder in Urin noch in Faeces der HMP-behandelten Tieren identifiziert werden. Nach direkter SMP-Applikation wurde MPdG nur in sehr geringe Menge (weniger als 0,9 ppm in 12 h) im Urin gefunden. Aufgrund der geringen Menge eignet sich MPdG nicht als Biomarker. MPMA dagegen, lässt sich analytisch gut erfassen. Es sollte daher untersucht werden, ob MPMA die Toxifizierung des HMP wiederspiegelt. Die Voraussetzung dafür ist die Kenntnisse über das Metabolismusmuster von HMP. Es wurde daher umfassende Untersuchungen zum Metabolismus des HMP durchgeführt. Die Ergebnisse zeigten, dass mehr als 80 % der Metaboiten in ihrer oxidierten Form (PCS, deren Glucuronsäure-Konjugate sowie phenolische Sulfatester der PCS) ausgeschieden wurden. Demnach spielt die Oxidation des HMP zu PCS eine sehr wichtige Rolle bei der Detoxifizierung und Ausscheidung von HMP. Ferne konnte nachgewiesen werden, dass die Enzyme Alkohol- und Aldehyd-Dehydrogenase an der Oxidation von HMP beteiligt waren. Die Inhibitoren Disulfiram und Ethanol der o. g. Enzyme wurde daher zur Modulation der Detoxifizierung in vivo eingesetzt

  4. Transition metal complexes of Vanillin- 4N-(2-pyridyl) thiosemicarbazone (H 2VPT); thermal, structural and spectroscopic studies

    NASA Astrophysics Data System (ADS)

    El-Reash, Gaber Abu; El-Ayaan, Usama; Gabr, I. M.; El-Rachawy, El-Bastawesy

    2010-04-01

    The present work carried out a study on the ligational behavior of the new ligand, Vanillin- 4N-(2-pyridyl) thiosemicarbazone (H 2VPT) 1 towards some transition metal ions namely, Mn 2+, Co 2+, Ni 2+, Cu 2+, Zn 2+,Cd 2+, Hg 2+ and U 6+. These complexes namely [Mn(HVPT)Cl] 2, [Co(VPT)(H 2O)] 2H 2O 3, [Ni(HVPT)Cl(H 2O)] 4, [Cu(HVPT)Cl(H 2O)] 5, [Zn(VPT)(H 2O)]H 2O 6, [Cd(HVPT)Cl(H 2O)] 7, [Hg(VPT)(H 2O)]H 2O 8 and [UO 2(H 2VPT)(OAc) 2]H 2O 9, were characterized by elemental analysis, spectral (IR, 1H NMR and UV-vis) and magnetic moment measurements. The suggested structures were confirmed by applying geometry optimization and conformational analysis. Thermal properties and decomposition kinetics of all compounds are investigated. The interpretation, mathematical analysis and evaluation of kinetic parameters ( E, A, Δ H, Δ S and Δ G) of all thermal decomposition stages have been evaluated using Coats-Redfern equation. ESR spectra of [Cu(HVPT)Cl]H 2O at room temperature show broad signal, indicating spin-exchange interactions between copper(II) ions.

  5. The theoretical-cum-statistical approach for the investigation of reaction NO2 + O(3P) → NO + O2 using SCTST and a full anharmonic VPT2 model

    NASA Astrophysics Data System (ADS)

    Shiekh, Bilal Ahmad; Kaur, Damanjit; Seth, Bharti; Mahajan, Shalagha

    2016-10-01

    The study of the titled reaction has been carried out using high-level quantum mechanics in conjugation with SCTST and VPT2 model. The many quantum mechanical methods have been employed in combinatory approach to find out the various properties such as energy, anharmonic vibrational coefficients and ro-vibrational parameters for the stationary points including the transition state of the reaction. Then the thermal rate coefficients were computed over a temperature regime of 150-1500 K and the corresponding results were compared with the available literature. In this temperature regime, our computed results are in excellent contrast with the experiment.

  6. Toward feasible and comprehensive computational protocol for simulation of the spectroscopic properties of large molecular systems: the anharmonic infrared spectrum of uracil in the solid state by the reduced dimensionality/hybrid VPT2 approach.

    PubMed

    Fornaro, Teresa; Carnimeo, Ivan; Biczysko, Malgorzata

    2015-05-28

    Feasible and comprehensive computational protocols for simulating the spectroscopic properties of large and complex molecular systems are very sought after. Indeed, due to the great variety of intra- and intermolecular interactions that may take place, the interpretation of experimental data becomes more and more difficult as the system under study increases in size or is placed in a complex environment, such as condensed phases. In this framework, we are actively developing a comprehensive and robust computational protocol aimed at quantitative reproduction of the spectra of nucleic acid base complexes, with increasing complexity toward condensed phases and monolayers of biomolecules on solid supports. We have resorted to fully anharmonic quantum mechanical computations within the generalized second-order vibrational perturbation theory (GVPT2) approach, combined with the cost-effective B3LYP-D3 method, in conjunction with basis sets of double-ζ plus polarization quality. Such an approach has been validated in a previous work ( Phys. Chem. Chem. Phys. 2014 , 16 , 10112 - 10128 ) for simulating the IR spectra of the monomers of nucleobases and some of their dimers. In the present contribution we have extended such computational protocol to simulate spectroscopic properties of a molecular solid, namely polycrystalline uracil. First we have selected a realistic molecular model for representing the spectroscopic properties of uracil in the solid state, the uracil heptamer, and then we have computed the relative anharmonic frequencies combining less demanding approaches such as the hybrid B3LYP-D3/DFTBA one, in which the harmonic frequencies are computed at a higher level of theory (B3LYP-D3/N07D) whereas the anharmonic shifts are evaluated at a lower level of theory (DFTBA), and the reduced dimensionality VPT2 (RD-VPT2) approach, where only selected vibrational modes are computed anharmonically along with the couplings with other modes. The good agreement between the

  7. Growth of 18O isotopically enriched ZnO nanorods by two novel VPT methods

    NASA Astrophysics Data System (ADS)

    Gray, Ciarán; Trefflich, Lukas; Röder, Robert; Ronning, Carsten; Henry, Martin O.; McGlynn, Enda

    2017-02-01

    We have developed two novel vapour phase transport methods to grow ZnO nanorod arrays isotopically enriched with 18O. Firstly, a three-step process used to grow natural and Zn-enriched ZnO nanorods has been further modified, by replacing the atmospheric O2 with enriched 18O2, in order to grow 18O-enriched ZnO nanorods using this vapour-solid method on chemical bath deposited buffer layers. In addition, 18O-enriched ZnO nanorods were successfully grown using 18O isotopically enriched ZnO source powders in a vapour-liquid-solid growth method. Scanning electron microscopy studies confirmed the success of both growth methods in terms of nanorod morphology, although in the case of the vapour-liquid-solid samples, the nanorods' c-axes were not vertically aligned due to the use of a non-epitaxial substrate. Raman and PL studies indicated clearly that O-enrichment was successful in both cases, although the results indicate that the enrichment is at a lower level in our samples compared to previous reports with the same nominal enrichment levels. The results of our studies also allow us to comment on both levels of enrichment achieved and on novel effects of the high temperature growth environment on the nanorod growth, as well as suggesting possible mechanisms for such effects. Very narrow photoluminescence line widths, far narrower than those reported previously in the literature for isotopically enriched bulk ZnO, are seen in both the vapour-solid and vapour-liquid-solid nanorod samples demonstrating their excellent optical quality and their potential for use in detailed optical studies of defects and impurities using low temperature photoluminescence.

  8. Materials Data on AlVPt (SG:216) by Materials Project

    SciTech Connect

    Kristin Persson

    2016-02-11

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Fourth-Order Vibrational Transition State Theory and Chemical Kinetics

    NASA Astrophysics Data System (ADS)

    Stanton, John F.; Matthews, Devin A.; Gong, Justin Z.

    2015-06-01

    Second-order vibrational perturbation theory (VPT2) is an enormously successful and well-established theory for treating anharmonic effects on the vibrational levels of semi-rigid molecules. Partially as a consequence of the fact that the theory is exact for the Morse potential (which provides an appropriate qualitative model for stretching anharmonicity), VPT2 calculations for such systems with appropriate ab initio potential functions tend to give fundamental and overtone levels that fall within a handful of wavenumbers of experimentally measured positions. As a consequence, the next non-vanishing level of perturbation theory -- VPT4 -- offers only slight improvements over VPT2 and is not practical for most calculations since it requires information about force constants up through sextic. However, VPT4 (as well as VPT2) can be used for other applications such as the next vibrational correction to rotational constants (the ``gammas'') and other spectroscopic parameters. In addition, the marriage of VPT with the semi-classical transition state theory of Miller (SCTST) has recently proven to be a powerful and accurate treatment for chemical kinetics. In this talk, VPT4-based SCTST tunneling probabilities and cumulative reaction probabilities are give for the first time for selected low-dimensional model systems. The prospects for VPT4, both practical and intrinsic, will also be discussed.

  10. Network interdependency between social media and stock trading activities: Evidence from China

    NASA Astrophysics Data System (ADS)

    Lin, Shen; Ren, Da; Zhang, Wei; Zhang, Yongjie; Shen, Dehua

    2016-06-01

    The emergence of social media accelerates the research on information dissemination and its corresponding influence on trading tendency. Based on empirical study of the dynamic relationship between the ratio of re-post microblog and original microblog (RRO) and average volume per transaction (VPT), we find the following results: (1) In microblog network, stocks with high RRO are often accompanied with low statistical VPT; (2) When the discussion about one stock is quite lively in microblog network (such as the blog postings reach a summit), it does not statistically cause the fluctuations of VPT of the stock; (3) Overall speaking, RRO plays a significant role in inverting u-shaped relationship with VPT.

  11. Visual to Print Transfer: A Literacy Strategy for Theme Analysis of Text

    ERIC Educational Resources Information Center

    Buelow, Stephanie

    2015-01-01

    This article shares a literacy strategy to support students' analysis of the theme of text and provide evidence to support their assertion. The strategy is called Visual to Print Transfer (VPT). The VPT strategy leverages students' out-of-school literacy practices involving media images of Hollywood icons as a way to support their understanding of…

  12. Psychiatric Outcomes at Age Seven for Very Preterm Children: Rates and Predictors

    ERIC Educational Resources Information Center

    Treyvaud, Karli; Ure, Alexandra; Doyle, Lex W.; Lee, Katherine J.; Rogers, Cynthia E.; Kidokoro, Hiroyuki; Inder, Terrie E.; Anderson, Peter J.

    2013-01-01

    Background: Uncertainty remains about the rate of specific psychiatric disorders and associated predictive factors for very preterm (VPT) children. The aims of this study were to document rates of psychiatric disorders in VPT children aged 7 years compared with term born children, and to examine potential predictive factors for psychiatric…

  13. Parenting Behavior at 2 Years Predicts School-age Performance at 7 Years in Very Preterm Children

    ERIC Educational Resources Information Center

    Treyvaud, Karli; Doyle, Lex W.; Lee, Katherine J.; Ure, Alexandra; Inder, Terrie E.; Hunt, Rod W.; Anderson, Peter J.

    2016-01-01

    Parenting influences child development, but it is unclear whether early parenting behavior can influence school-age outcomes in very preterm (VPT) children, and/or if certain groups of VPT children may be more affected by early parenting behavior. These research questions were examined. Participants were 147 children born <30 weeks' gestation…

  14. Neonatal Cerebral Morphometry and Later Risk of Persistent Inattention/Hyperactivity in Children Born Very Preterm

    ERIC Educational Resources Information Center

    Bora, Samudragupta; Pritchard, Verena E.; Chen, Zhe; Inder, Terrie E.; Woodward, Lianne J.

    2014-01-01

    Background: Attention problems are among the most prevalent neurobehavioral morbidities affecting very preterm (VPT) born children. The first study aim was to document rates of persistent attention/hyperactivity problems from ages 4 to 9 years in a regional cohort of VPT born children. The second aim was to examine the extent to which persistent…

  15. Corpus Callosum and Prefrontal Functions in Adolescents with History of Very Preterm Birth

    ERIC Educational Resources Information Center

    Narberhaus, Ana; Segarra, Dolors; Caldu, Xavier; Gimenez, Monica; Pueyo, Roser; Botet, Francesc; Junque, Carme

    2008-01-01

    Very preterm (VPT) birth can account for thinning of the corpus callosum and poorer cognitive performance. Research findings about preterm and VPT adolescents usually describe a small posterior corpus callosum, although our research group has also found reductions of the anterior part, specifically the genu. The aim of the present study was to…

  16. Very Preterm Adolescents Show Gender-Dependent Alteration of the Structural Brain Correlates of Spelling Abilities

    ERIC Educational Resources Information Center

    Scott, Fiona E.; Mechelli, Andrea; Allin, Matthew P.; Walshe, Muriel; Rifkin, Larry; Murray, Robin M.; Nosarti, Chiara

    2011-01-01

    Individuals born very preterm (VPT) are at risk of neurodevelopmental damage and of adverse educational outcomes in childhood and adolescence. The present study used voxel-based morphometry to investigate the association between grey matter and white matter volume and measures of language and executive functioning in VPT born adolescents and…

  17. Identification of volume phase transition of a single microgel particle using optical tweezers

    NASA Astrophysics Data System (ADS)

    Karthickeyan, D.; Gupta, Deepak K.; Tata, B. V. R.

    2016-10-01

    Poly (N-isopropyl acrylamide-co-acrylic acid) (PNIPAM-co-Aac) microgel particles are pH responsive and exhibit volume phase transition (VPT) upon variation of pH. Dynamic light scattering (DLS) is used conventionally to identify VPT and requires a dilute suspension with particle concentration ˜107 particles cm-3 and if particles are polydisperse in nature, DLS data interpretation is relatively difficult. Here we show that optical tweezers allow one to measure the VPT of a single microgel particle by measuring the optical trap stiffness, κ of trapped particle as a function of pH. We report here a sudden change in κ at VPT, which is shown to arise from a sudden decrease in particle diameter with a concomitant increase in the refractive index of the particle at VPT.

  18. A vacuolar phosphate transporter essential for phosphate homeostasis in Arabidopsis

    PubMed Central

    Liu, Jinlong; Yang, Lei; Luan, Mingda; Wang, Yuan; Zhang, Chi; Zhang, Bin; Shi, Jisen; Zhao, Fu-Geng; Lan, Wenzhi; Luan, Sheng

    2015-01-01

    Inorganic phosphate (Pi) is stored in the vacuole, allowing plants to adapt to variable Pi availability in the soil. The transporters that mediate Pi sequestration into vacuole remain unknown, however. Here we report the functional characterization of Vacuolar Phosphate Transporter 1 (VPT1), an SPX domain protein that transports Pi into the vacuole in Arabidopsis. The vpt1 mutant plants were stunted and consistently retained less Pi than wild type plants, especially when grown in medium containing high levels of Pi. In seedlings, VPT1 was expressed primarily in younger tissues under normal conditions, but was strongly induced by high-Pi conditions in older tissues, suggesting that VPT1 functions in Pi storage in young tissues and in detoxification of high Pi in older tissues. As a result, disruption of VPT1 rendered plants hypersensitive to both low-Pi and high-Pi conditions, reducing the adaptability of plants to changing Pi availability. Patch-clamp analysis of isolated vacuoles showed that the Pi influx current was severely reduced in vpt1 compared with wild type plants. When ectopically expressed in Nicotiana benthamiana mesophyll cells, VPT1 mediates vacuolar influx of anions, including Pi, SO42−, NO3−, Cl−, and malate with Pi as that preferred anion. The VPT1-mediated Pi current amplitude was dependent on cytosolic phosphate concentration. Single-channel analysis showed that the open probability of VPT1 was increased with the increase in transtonoplast potential. We conclude that VPT1 is a transporter responsible for vacuolar Pi storage and is essential for Pi adaptation in Arabidopsis. PMID:26554016

  19. A vacuolar phosphate transporter essential for phosphate homeostasis in Arabidopsis.

    PubMed

    Liu, Jinlong; Yang, Lei; Luan, Mingda; Wang, Yuan; Zhang, Chi; Zhang, Bin; Shi, Jisen; Zhao, Fu-Geng; Lan, Wenzhi; Luan, Sheng

    2015-11-24

    Inorganic phosphate (Pi) is stored in the vacuole, allowing plants to adapt to variable Pi availability in the soil. The transporters that mediate Pi sequestration into vacuole remain unknown, however. Here we report the functional characterization of Vacuolar Phosphate Transporter 1 (VPT1), an SPX domain protein that transports Pi into the vacuole in Arabidopsis. The vpt1 mutant plants were stunted and consistently retained less Pi than wild type plants, especially when grown in medium containing high levels of Pi. In seedlings, VPT1 was expressed primarily in younger tissues under normal conditions, but was strongly induced by high-Pi conditions in older tissues, suggesting that VPT1 functions in Pi storage in young tissues and in detoxification of high Pi in older tissues. As a result, disruption of VPT1 rendered plants hypersensitive to both low-Pi and high-Pi conditions, reducing the adaptability of plants to changing Pi availability. Patch-clamp analysis of isolated vacuoles showed that the Pi influx current was severely reduced in vpt1 compared with wild type plants. When ectopically expressed in Nicotiana benthamiana mesophyll cells, VPT1 mediates vacuolar influx of anions, including Pi, SO4(2-), NO3(-), Cl(-), and malate with Pi as that preferred anion. The VPT1-mediated Pi current amplitude was dependent on cytosolic phosphate concentration. Single-channel analysis showed that the open probability of VPT1 was increased with the increase in transtonoplast potential. We conclude that VPT1 is a transporter responsible for vacuolar Pi storage and is essential for Pi adaptation in Arabidopsis.

  20. Health Technology Assessment of CEM Pulpotomy in Permanent Molars with Irreversible Pulpitis

    PubMed Central

    Yazdani, Shahram; Jadidfard, Mohammad-Pooyan; Tahani, Bahareh; Kazemian, Ali; Dianat, Omid; Alim Marvasti, Laleh

    2014-01-01

    Introduction: Teeth with irreversible pulpitis usually undergo root canal therapy (RCT). This treatment modality is often considered disadvantageous as it removes vital pulp tissue and weakens the tooth structure. A relatively new concept has risen which suggests vital pulp therapy (VPT) for irreversible pulpitis. VPT with calcium enriched mixture (VPT/CEM) has demonstrated favorable treatment outcomes when treating permanent molars with irreversible pulpitis. This study aims to compare patient related factors, safety and organizational consideration as parts of health technology assessment (HTA) of the new VPT/CEM biotechnology when compared with RCT. Materials and Methods: Patient related factors were assessed by looking at short- and long-term clinical success; safety related factors were evaluated by a specialist committee and discussion board involved in formulating healthcare policies. Organizational evaluation was performed and the social implications were assessed by estimating the costs, availability, accessibility and acceptability. The impact of VPT/CEM biotechnology was assessed by investigating the incidence of irreversible pulpitis and the effect of this treatment on reducing the burden of disease. Results: VPT/CEM biotechnology was deemed feasible and acceptable like RCT; however, it was more successful, accessible, affordable, available and also safer than RCT. Conclusion: When considering socioeconomic implications on oral health status and oral health-related quality of life of VPT/CEM, the novel biotechnology can be more effective and more efficient than RCT in mature permanent molars with irreversible pulpitis. PMID:24396372

  1. Cortical Gray and Adjacent White Matter Demonstrate Synchronous Maturation in Very Preterm Infants.

    PubMed

    Smyser, Tara A; Smyser, Christopher D; Rogers, Cynthia E; Gillespie, Sarah K; Inder, Terrie E; Neil, Jeffrey J

    2016-08-01

    Spatial and functional gradients of development have been described for the maturation of cerebral gray and white matter using histological and radiological approaches. We evaluated these patterns in very preterm (VPT) infants using diffusion tensor imaging. Data were obtained from 3 groups: 1) 22 VPT infants without white matter injury (WMI), of whom all had serial MRI studies during the neonatal period, 2) 19 VPT infants with WMI, of whom 3 had serial MRI studies and 3) 12 healthy, term-born infants. Regions of interest were placed in the cortical gray and adjacent white matter in primary motor, primary visual, visual association, and prefrontal regions. From the MRI data at term-equivalent postmenstrual age, differences in mean diffusivity were found in all areas between VPT infants with WMI and the other 2 groups. In contrast, minimal differences in fractional anisotropy were found between the 3 groups. These findings suggest that cortical maturation is delayed in VPT infants with WMI when compared with term control infants and VPT infants without WMI. From the serial MRI data from VPT infants, synchronous development between gray and white matter was evident in all areas and all groups, with maturation in primary motor and sensory regions preceding that of association areas. This finding highlights the regionally varying but locally synchronous nature of the development of cortical gray matter and its adjacent white matter.

  2. Pain-related stress during the Neonatal Intensive Care Unit stay and SLC6A4 methylation in very preterm infants

    PubMed Central

    Provenzi, Livio; Fumagalli, Monica; Sirgiovanni, Ida; Giorda, Roberto; Pozzoli, Uberto; Morandi, Francesco; Beri, Silvana; Menozzi, Giorgia; Mosca, Fabio; Borgatti, Renato; Montirosso, Rosario

    2015-01-01

    Very preterm (VPT) infants need long-lasting hospitalization in the Neonatal Intensive Care Unit (NICU) during which they are daily exposed to pain-related stress. Alterations of DNA methylation at the promoter region of the SLC6A4 have been associated with early adverse experiences in infants. The main aim of the present work was to investigate the association between level of exposure to pain-related stress during hospitalization and changes in SLC6A4 DNA methylation at NICU discharge in VPT infants. In order to exclude the potential effect of birth status (i.e., preterm vs. full-term birth) on SLC6A4 methylation, we preliminarily assessed SLC6A4 epigenetic differences between VPT and full-term (FT) infants at birth. Fifty-six VPT and thirty-two FT infants participated in the study. The level of exposure to pain-related stress was quantified on the basis of the amount of skin-breaking procedures to which they were exposed. VPT infants were divided in two sub-groups: low-pain exposure (LPE, N = 25) and high-pain exposure (HPE, N = 31). DNA methylation was evaluated at birth for both VPT and FT infants, assessing 20 CpG sites within the SLC6A4 promoter region. The same CpG sites were re-evaluated for variations in DNA methylation at NICU discharge in LPE and HPE VPT infants. No differences in SLC6A4 CpG sites' methylation emerged between FT and VPT infants at birth. Methylation at CpG sites 5 and 6 significantly increased from birth to NICU discharge only for HPE VPT infants. Findings show that preterm birth per se is not associated with epigenetic alterations of the SLC6A4, whereas higher levels of pain-related stress exposure during NICU stay might alter the transcriptional functionality of the serotonin transporter gene. PMID:25941480

  3. Neurodevelopmental outcomes and neural mechanisms associated with non-right handedness in children born very preterm

    PubMed Central

    Pascoe, L; Scratch, SE; Burnett, AC; Thompson, DK; Lee, KJ; Doyle, LW; Cheong, JLY; Inder, TE; Anderson, PJ

    2016-01-01

    Objective Non-right handedness (NRH) is reportedly more common in very preterm (VPT; <32 weeks’ gestation) children compared with term-born peers, but it is unclear whether neonatal brain injury or altered brain morphology and microstructure underpins NRH in this population. Given that NRH has been inconsistently reported to be associated with cognitive and motor difficulties, this study aimed to examine associations between handedness and neurodevelopmental outcomes in VPT 7 year-olds. Further, the relationship between neonatal brain injury and integrity of motor tracts (corpus callosum and corticospinal tract) with handedness at age 7 years in VPT children was explored. Method One hundred and seventy-five VPT and 69 term-born children completed neuropsychological and motor assessments and a measure of handedness at 7 years’ corrected age. At term-equivalent age, brain injury on MRI was assessed and diffusion tensor measures were obtained for the corpus callosum and posterior limb of the internal capsule. Results There was little evidence of stronger NRH in the VPT group compared with term controls (regression coefficient [b] −1.95, 95% confidence interval [CI] −5.67 to 1.77). Poorer academic and working memory outcomes were associated with stronger NRH in the VPT group. While there was little evidence that neonatal unilateral brain injury was associated with stronger NRH, increased area and fractional anisotropy of the corpus callosum splenium were predictive of stronger NRH in the VPT group. Conclusions VPT birth may alter the relationship between handedness and academic outcomes, and neonatal corpus callosum integrity predicts hand preference in VPT children at school age. PMID:26328609

  4. Neurological abnormalities in young adults born preterm

    PubMed Central

    Allin, M; Rooney, M; Griffiths, T; Cuddy, M; Wyatt, J; Rifkin, L; Murray, R

    2006-01-01

    Objective Individuals born before 33 weeks' gestation (very preterm, VPT) have an increased likelihood of neurological abnormality, impaired cognitive function, and reduced academic performance in childhood. It is currently not known whether neurological signs detected in VPT children persist into adulthood or become attenuated by maturation of the CNS. Method We assessed 153 VPT individuals and 71 term‐born controls at 17–18 years old, using a comprehensive neurological examination. This examination divides neurological signs into primary and integrative domains, the former representing the localising signs of classical neurology, and the latter representing signs requiring integration between different neural networks or systems. Integrative signs are sub‐divided into three groups: sensory integration, motor confusion, and sequencing. The VPT individuals have been followed up since birth, and neonatal information is available on them, along with the results of neurological assessment at 4 and 8 years of age and neuropsychological assessment at 18 years of age. Results The total neurology score and primary and integrative scores were significantly increased in VPT young adults compared to term‐born controls. Within the integrative domain, sensory integration and motor confusion scores were significantly increased in the VPT group, but sequencing was not significantly different between the VPT and term groups. Integrative neurological abnormalities at 18 were strongly associated with reduced IQ but primary abnormalities were not. Conclusions Neurological signs are increased in VPT adults compared to term‐born controls, and are strongly associated with reduced neuropsychological function. PMID:16543529

  5. Bioceramic Materials and the Changing Concepts in Vital Pulp Therapy.

    PubMed

    Cao, Yangpei; Bogen, George; Lim, Jung; Shon, Won-Jun; Kang, Mo K

    2016-05-01

    Vital pulp therapy (VPT) is devised to preserve and maintain vitality of pulpally involved teeth challenged by a variety of intraoral conditions. Notable progress has been made in this field due to a better understanding of pulp physiology, improved clinical protocols and advanced bioceramic materials paired with adhesive technology. With focused case selection, conservative VPT can provide reliable treatment options for permanent teeth diagnosed with normal pulps or reversible pulpitis.

  6. Transmastoid reshaping of the sigmoid sinus: preliminary study of a novel surgical method to quiet pulsatile tinnitus of an unrecognized vascular origin.

    PubMed

    Kim, Chong Sun; Kim, So Young; Choi, Hyunseok; Koo, Ja-Won; Yoo, Shin-Young; An, Gwang Seok; Lee, Kyogu; Choi, Inyong; Song, Jae-Jin

    2016-08-01

    OBJECTIVE A dominant sigmoid sinus with focal dehiscence or thinning (DSSD/T) of the overlying bony wall is a commonly encountered, but frequently overlooked, cause of vascular pulsatile tinnitus (VPT). Also, the pathophysiological mechanism of sound perception in patients with VPT remains poorly understood. In the present study, a novel surgical method, termed transmastoid SS-reshaping surgery, was introduced to ameliorate VPT in patients with DSSD/T. The authors reviewed a case series, analyzed the surgical outcomes, and suggested the pathophysiological mechanism of sound perception. The theoretical background underlying VPT improvement after transmastoid SS-reshaping surgery was also explored. METHODS Eight patients with VPT that was considered attributable to DSSD/T underwent transmastoid SS-reshaping surgery between February 2010 and February 2015. The mean postoperative follow-up period was 9.5 months (range 4-13 months). Transmastoid SS-reshaping surgery featured simple mastoidectomy, partial compression of the SS using harvested cortical bone chips, and reinforcement of the bony SS wall with bone cement. Perioperative medical records, imaging results, and audiological findings were comprehensively reviewed. RESULTS In 7 of the 8 patients (87.5%), the VPT abated immediately after surgery. Statistically significant improvements in tinnitus loudness and distress were evident on numeric rating scales. Three patients with preoperative ipsilesional low-frequency hearing loss exhibited postoperative improvements in their low-frequency hearing thresholds. No major postoperative complications were encountered except in the first subject, who experienced increased intracranial pressure postoperatively. This subsided after a revision operation for partial decompression of the SS. CONCLUSIONS Transmastoid SS-reshaping surgery may be a good surgical option in patients with DSSD/T, a previously unrecognized cause of VPT. Redistribution of severely asymmetrical blood flow

  7. Cognitive Development Trajectories of Very Preterm and Typically Developing Children

    ERIC Educational Resources Information Center

    Mangin, Kathryn S.; Horwood, L. J.; Woodward, Lianne J.

    2017-01-01

    Cognitive impairment is common among children born very preterm (VPT), yet little is known about how this risk changes over time. To examine this issue, a regional cohort of 110 VPT (= 32 weeks gestation) and 113 full-term (FT) born children was prospectively assessed at ages 4, 6, 9, and 12 years using the Wechsler Preschool and Primary Scale of…

  8. Vibratory sense deficits in patients with symptomatic femoroacetabular impingement

    PubMed Central

    Farkas, G.J.; Shakoor, N.; Cvetanovich, G.L.; Fogg, L.F.; Orías, A.A. Espinoza; Nho, S.J.

    2016-01-01

    Objective: Sensory deficits, measured through vibratory perception threshold (VPT), have been recognized in hip and knee osteoarthritis (OA), but have not been evaluated in femoroacetabular impingement (FAI), thought to be a pre-OA condition. This study aimed to assess VPT in symptomatic FAI pre- and 6-months post-arthroscopy vs. controls. Methods: FAI patients and controls were assessed for VPT at the first metatarsophalangeal joint. Pain was assessed using a visual analog pain scale. FAI participants were evaluated again 6-months after surgery for FAI. Differences between groups and pre- and post- surgery were evaluated with independent and paired sample t-tests, respectively. Secondary analysis was performed using repeated-measures ANOVA to evaluate the effect of pain and time since surgery on VPT pre- and post-operatively. Results: No differences in age and BMI were seen between groups (p>0.05). Reduced VPT (higher value is worse) was evident in the pre- (8.0±3.9V, t=2.81, p=0.009) and post-operative (6.8±2.8V, t=2.34, p=0.027) patients compared to controls (4.7±1.3V). After hip arthroscopy, there was a trend toward improved VPT (t=1.97, p=0.068). Preoperative and 6-months postoperative pain and time since surgery were not found to influence VPT (F-ratio≥0.00, p≥0.427). Conclusion: Sensory deficits were observed in FAI patients both before and 6-months after hip arthroscopy. PMID:26944822

  9. Eating disorder psychopathology, brain structure, neuropsychological correlates and risk mechanisms in very preterm young adults.

    PubMed

    Micali, Nadia; Kothari, Radha; Nam, Kie Woo; Gioroukou, Elena; Walshe, Muriel; Allin, Matthew; Rifkin, Larry; Murray, Robin M; Nosarti, Chiara

    2015-03-01

    This study investigates the prevalence of eating disorder (ED) psychopathology, neuropsychological function, structural brain correlates and risk mechanisms in a prospective cohort of very preterm (VPT) young adults. We assessed ED psychopathology and neuropsychological correlates in 143 cohort individuals born at <33 weeks of gestation. Structural brain correlates and risk factors at birth, in childhood and adolescence, were investigated using prospectively collected data throughout childhood/adolescence. VPT-born individuals had high levels of ED psychopathology at age 21 years. Executive function did not correlate with ED symptomatology. VPT adults presenting with ED psychopathology had smaller grey matter volume at age 14/15 years in the left posterior cerebellum and smaller white matter volume in the fusiform gyrus bilaterally, compared with VPT adults with no ED psychopathology. Caesarean delivery predicted engaging in compensatory behaviours, and severe eating difficulty at age 14 years predicted ED symptomatology in young adulthood. VPT individuals are at risk for ED symptomatology, with evidence of associated structural alterations in posterior brain regions. Further prospective studies are needed to clarify the pathways that lead from perinatal/obstetric complications to ED and relevant neurobiological mechanisms. © 2015 The Authors. European Eating Disorders Review published by John Wiley &Sons, Ltd.

  10. Socio-Emotional Development Following Very Preterm Birth: Pathways to Psychopathology

    PubMed Central

    Montagna, Anita; Nosarti, Chiara

    2016-01-01

    Very preterm birth (VPT; < 32 weeks of gestation) has been associated with an increased risk to develop cognitive and socio-emotional problems, as well as with increased vulnerability to psychiatric disorder, both with childhood and adult onset. Socio-emotional impairments that have been described in VPT individuals include diminished social competence and self-esteem, emotional dysregulation, shyness and timidity. However, the etiology of socio-emotional problems in VPT samples and their underlying mechanisms are far from understood. To date, research has focused on the investigation of both biological and environmental risk factors associated with socio-emotional problems, including structural and functional alterations in brain areas involved in processing emotions and social stimuli, perinatal stress and pain and parenting strategies. Considering the complex interplay of the aforementioned variables, the review attempts to elucidate the mechanisms underlying the association between very preterm birth, socio-emotional vulnerability and psychopathology. After a comprehensive overview of the socio-emotional impairments associated with VPT birth, three main models of socio-emotional development are presented and discussed. These focus on biological vulnerability, early life adversities and parenting, respectively. To conclude, a developmental framework is used to consider different pathways linking VPT birth to psychopathology, taking into account the interaction between medical, biological, and psychosocial factors. PMID:26903895

  11. Vital Pulp Therapy of a Symptomatic Immature Permanent Molar with Long-Term Success

    PubMed Central

    Sabbagh, Sedigheh; Sarraf Shirazi, Alireza; Eghbal, Mohammad Jafar

    2016-01-01

    Vital pulp therapy (VPT) is the preferred conservative treatment for preservation of symptomatic pulps in immature permanent teeth. The present case report summarizes VPT of an immature permanent molar with irreversible pulpitis associated with apical periodontitis in a 9-year-old boy. Cervical pulpotomy was performed and radicular pulp stumps were covered with calcium-enriched mixture (CEM) cement; the tooth was then restored with stainless steel crown. After a 50-month follow-up period, the pulpotomized molar was clinically functional and asymptomatic. Moreover, radiographic evaluation revealed evidence of complete root development as well as normal periodontal ligament around the roots. The successful outcome achieved through VPT using CEM biomaterial in the reported case suggests that this method may produce favorable outcome for vital immature permanent teeth with irreversible pulpitis and periapical disease. PMID:27790270

  12. Vital Pulp Therapy of a Mature Molar with Concurrent Hyperplastic Pulpitis, Internal Root Resorption and Periradicular Periodontitis: A Case Report

    PubMed Central

    Asgary, Saeed; Kemal Çalışkan, Mehmet

    2015-01-01

    Vital pulp therapy (VPT) of permanent mature teeth is continuously ascertaining to be a more reliable endodontic treatment. The purpose of this case report was to describe successful VPT of a mature mandibular left first molar with concurrent hyperplastic pulpitis, internal root resorption and periradicular periodontitis in a 35-year-old male patient. After complete caries removal and access cavity preparation, the dental pulp was removed from the coronal third of the roots. To protect the remaining pulp, calcium-enriched mixture (CEM) cement was placed and adapted into the cavities; the tooth was then restored with amalgam. Six months after VPT, radiographic examination showed evidence of periradicular healing. Clinically, the tooth was functional without signs and symptoms of infection/inflammation. The successful outcome of this case suggests that diseased dental pulp (i.e. irreversible pulpitis) has the potential to heal after pulp protection with CEM biocement. PMID:26523145

  13. Vital pulp therapy using calcium-enriched mixture: An evidence-based review

    PubMed Central

    Asgary, Saeed; Ahmadyar, Maryam

    2013-01-01

    Worldwide, casecontrol studies have revealed that the treatment outcomes of root canal therapy (RCT) are generally favorable; however, the overall epidemiological success rate of RCT in the general population is relatively low. On the other hand, vitality of dental pulp is a key factor in the long-term prognosis of permanent teeth; in recent years, vital pulp therapy (VPT) has received significant consideration as it has been revealed that the inflamed pulp has the potential to heal. In this review article, the current best evidence with regard to VPT using calcium-enriched mixture (CEM) cement in human permanent/primary teeth is discussed. A strategy based on a search using keywords for CEM cement as well as VPT was applied. PMID:23716958

  14. Comparison of Gait Speed and Peripheral Nerve Function Between Chronic Kidney Disease Patients With and Without Diabetes

    PubMed Central

    2017-01-01

    Objective To compare overall physical function, including gait speed and peripheral nerve function, between diabetic chronic kidney disease (CKD) patients and nondiabetic CKD patients and to investigate the association between gait speed and peripheral nerve function in CKD patients. Methods Sixty adult CKD patients (35 with and 25 without diabetes), who received maintenance hemodialysis (HD), were included in this study. Demographic data, past medical history, current medical condition and functional data—usual gait speed, vibration perception threshold for the index finger (VPT-F) and the great toe (VPT-T), activity of daily living (ADL) difficulty, and peripheral neuropathy (PN) along with the degree of its severity—were collected and compared between the two groups. Correlations between the severity of PN and the impairment of other functions were identified. Results Diabetic CKD patients showed significantly slower gait speed (p=0.029), impaired sensory function (VPT-F, p=0.011; VPT-T, p=0.023), and more frequent and severe PN (number of PN, p<0.001; severity of PN, p<0.001) as compared to those without diabetes. Usual gait speed had a significant negative correlation with the severity of PN (rho=−0.249, p=0.013). By contrast, VPT-F (rho=0.286, p=0.014) and VPT-T (rho=0.332, p=0.035) were positively correlated with the severity of PN. ADL difficulty was comparatively more frequent in the patients with more severe PN (p=0.031). Conclusion In CKD patients with maintenance HD, their gait speed, sensory functions, and peripheral nerve functions were all significantly impaired when they have diabetes, and the severity of PN was negatively correlated with their gait speed, sensory function, and ADL function. Adverse effects of diabetes impacted physical performance of CKD patients. The physical disability of those patients might be attributable to PN and its severity. PMID:28289638

  15. Vibrational Constants for Triatomic Molecules from Fourth-Order Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Matthews, Devin A.; Gong, Justin Z.; Stanton, John F.

    2013-06-01

    The second vibrational anharmonicity constants (y_{ijk}) for general non-linear triatomic molecules as derived from fourth-order Rayleigh-Schrödinger perturbation theory (VPT4) are presented. The derived constants include all force field and Coriolis terms from the Watson Hamiltonian except for the pseudopotential. The basic theory of VPT4 is discussed, particularly with application to molecular constants, as well as the computational methods used to derive the specific constants. Finally, the constants are analyzed in the context of model systems such as Morse and double-well potentials.

  16. Object-based mental rotation and visual perspective-taking in typical development and Williams syndrome.

    PubMed

    Broadbent, Hannah J; Farran, Emily K; Tolmie, Andrew

    2014-01-01

    This study examined Object-based (OB) rotation and Visual Perspective-Taking (VPT) abilities in Williams syndrome (WS) compared to typically developing (TD) 5-10-year-olds. Extensive difficulties with both types of imagined rotation were observed in WS; WS performance was in line with the level of ability observed in TD 5-year-olds. However, an atypical pattern of errors on OB and VPT tasks was observed in WS compared to TD groups. Deficits in imagined rotations are consistent with known atypical cortical development in WS. Such difficulties in updating the position of the self following movement in WS may have implications for large-scale spatial navigation.

  17. Vitrectomy for vitreopapillary traction in a nondiabetic 16-year-old girl

    PubMed Central

    Nagesha, C. K.; Rishi, Pukhraj; Rishi, Ekta

    2017-01-01

    Vitreopapillary traction (VPT) is an unusual clinical entity and its management and prognosis have been sparsely studied. It has been described in adults with various vitreomacular pathologies and the possible effects on visual functions. However, the role of surgical intervention in altering the course of the disease is not well understood. Hereby, we describe a case of idiopathic VPT in a 16-year-old girl who presented with decreased vision and visual field changes corresponding to the area of retinal traction. This case was managed with pars plana vitrectomy and epiretinal membrane removal that resulted in improved visual field sensitivity; thus, emphasizing the role of surgical intervention in such eyes. PMID:28298864

  18. Application of Fourth Order Vibrational Perturbation Theory with Analytic Hartree-Fock Force Fields

    NASA Astrophysics Data System (ADS)

    Gong, Justin Z.; Matthews, Devin A.; Stanton, John F.

    2014-06-01

    Fourth-Order Rayleigh-Schrodinger Perturbation Theory (VPT4) is applied to a series of small molecules. The quality of results have been shown to be heavily dependent on the quality of the quintic and sextic force constants used and that numerical sextic force constants converge poorly and are unreliable for VPT4. Using analytic Hartree-Fock force constants, it is shown that these analytic higher-order force constants are comparable to corresponding force constants from numerical calculations at a higher level of theory. Calculations show that analytic Hartree-Fock sextic force constants are reliable and can provide good results with Fourth-Order Rayleigh-Schrodinger Perturbation Theory.

  19. Level-Set-Segmentierung von Rattenhirn MRTs

    NASA Astrophysics Data System (ADS)

    Eiben, Björn; Kunz, Dietmar; Pietrzyk, Uwe; Palm, Christoph

    In dieser Arbeit wird die Segmentierung von Gehirngewebe aus Kopfaufnahmen von Ratten mittels Level-Set-Methoden vorgeschlagen. Dazu wird ein zweidimensionaler, kontrastbasierter Ansatz zu einem dreidimensionalen, lokal an die Bildintensität adaptierten Segmentierer erweitert. Es wird gezeigt, dass mit diesem echten 3D-Ansatz die lokalen Bildstrukturen besser berücksichtigt werden können. Insbesondere Magnet-Resonanz-Tomographien (MRTs) mit globalen Helligkeitsgradienten, beispielsweise bedingt durch Oberfiächenspulen, können auf diese Weise zuverlässiger und ohne weitere Vorverarbeitungsschritte segmentiert werden. Die Leistungsfähigkeit des Algorithmus wird experimentell an Hand dreier Rattenhirn-MRTs demonstriert.

  20. Anharmonic Rovibrational Calculations of Singlet Cyclic C4 Using a New Ab Initio Potential and a Quartic Force

    NASA Technical Reports Server (NTRS)

    Wang, Xiaohong; Huang, Xinchuan; Bowman, Joel M.; Lee, Timothy J.

    2013-01-01

    We report a CCSD(T)/cc-pCV5Z quartic force field (QFF) and a semi-global CCSD(T)-F12b/aug-cc-pVTZ potential energy surface (PES) for singlet, cyclic C4. Vibrational fundamentals, combinations and overtones are obtained using vibrational second-order perturbation theory (VPT2) and the vibrational configurationinteraction (VCI) approach. Agreement is within 10 cm(exp -1) between the VCI calculated fundamentals on the QFF and PES using the MULTIMODE (MM) program, and VPT2 and VCI results agree for the fundamentals. The agreement between VPT2- QFF and MM-QFF results is also good for the C4 combinations and overtones. The J = 1 and J = 2 rovibrational energies are reported from both VCI (MM) on the PES and VPT2 on the QFF calculations. The spectroscopic constants of (12)C4 and two C(sub 2v)-symmetry, single (13)C-substituted isotopologues are presented, which may help identification of cyclic C4 in future experimental analyses or astronomical observations.

  1. Prognostic factors for cerebral palsy and motor impairment in children born very preterm or very low birthweight: a systematic review

    PubMed Central

    Linsell, Louise; Malouf, Reem; Morris, Joan; Kurinczuk, Jennifer J; Marlow, Neil

    2017-01-01

    Aim There is a large literature reporting risk factor analyses for poor neurodevelopment in children born very preterm (VPT: ≤32wks) or very low birthweight (VLBW: ≤1250g), which to date has not been formally summarized. The aim of this paper was to identify prognostic factors for cerebral palsy (CP) and motor impairment in children born VPT/VLBW. Method A systematic review was conducted using Medline, Embase, and Pyscinfo databases to identify studies published between 1 January 1990 and 1 June 2014 reporting multivariable prediction models for poor neurodevelopment in VPT/VLBW children (registration number CRD42014006943). Twenty-eight studies for motor outcomes were identified. Results There was strong evidence that intraventricular haemorrhage and periventricular leukomalacia, and some evidence that the use of postnatal steroids and non-use of antenatal steroids, were prognostic factors for CP. Male sex and gestational age were of limited use as prognostic factors for CP in cohorts restricted to ≤32 weeks gestation; however, in children older than 5 years with no major disability, there was evidence that male sex was a predictive factor for motor impairment. Interpretation This review has identified factors which may be of prognostic value for CP and motor impairment in VPT/VLBW children and will help to form the basis of future prognostic research. PMID:26862030

  2. Novel synthesis of FAU-type zeolite membrane with high performance.

    PubMed

    Cheng, Zhilin; Gao, Enqing; Wan, Huilin

    2004-08-07

    FAU-type zeolite membranes were synthesized by the vapor phase transformation (VPT) methods with or without prior seeding on the substrate, and it was revealed that the CO(2)/N(2) selectivity of the seeded membrane is greater than that of the unseeded membrane.

  3. Anharmonic rovibrational calculations of singlet cyclic C{sub 4} using a new ab initio potential and a quartic force field

    SciTech Connect

    Wang, Xiaohong; Bowman, Joel M.; Huang, Xinchuan; Lee, Timothy J.

    2013-12-14

    We report a CCSD(T)/cc-pCV5Z quartic force field (QFF) and a semi-global CCSD(T)-F12b/aug-cc-pVTZ potential energy surface (PES) for singlet, cyclic C{sub 4}. Vibrational fundamentals, combinations, and overtones are obtained using vibrational second-order perturbation theory (VPT2) and the vibrational configuration-interaction (VCI) approach. Agreement is within 10 cm{sup −1} between the VCI calculated fundamentals on the QFF and PES using the MULTIMODE (MM) program, and VPT2 and VCI results agree for the fundamentals. The agreement between VPT2-QFF and MM-QFF results is also good for the C{sub 4} combinations and overtones. The J = 1 and J = 2 rovibrational energies are reported from both VCI (MM) on the PES and VPT2 on the QFF calculations. The spectroscopic constants of {sup 12}C{sub 4} and two C{sub 2v}-symmetry, single {sup 13}C-substituted isotopologues are presented, which may help identification of cyclic C{sub 4} in future experimental analyses or astronomical observations.

  4. Aviation Safety in the Rapid Onset, High-G Environment

    DTIC Science & Technology

    2006-01-01

    performance tests (VPT, visual acuity and refraction) and corneal measurements ( topography and keratometry) were performed on all subjects before and...MED ............. ................................................................. 2 Effects of Acceleration on Corneal Stability in Post-Refractive...The results were presented at the 2003 2 Aerospace Medical Association meeting (4). Effects of Acceleration on Corneal Stability in Postrefractive

  5. A Study of Quenching Cooling in Gaseous Atmospheres

    NASA Astrophysics Data System (ADS)

    Shevchenko, S. Yu.; Smirnov, A. E.; Kirillov, I. V.; Kurpyakova, N. A.

    2016-11-01

    Prismatic sensors of two standard sizes are used to determine the heat-transfer coefficients of high-pressure nitrogen at different turbine rotor speeds of a SECO/WARWICK 10.0VPT-4020/24N vacuum furnace. The adequacy of the values obtained is estimated.

  6. Power Converters Secure Electronics in Harsh Environments

    NASA Technical Reports Server (NTRS)

    2013-01-01

    In order to harden power converters for the rigors of space, NASA awarded multiple SBIR contracts to Blacksburg, Virginia-based VPT Inc. The resulting hybrid DC-DC converters have proven valuable in aerospace applications, and as a result the company has generated millions in revenue from the product line and created four high-tech jobs to handle production.

  7. Inflammatory Response in Preterm and Very Preterm Newborns with Sepsis

    PubMed Central

    Segura-Cervantes, Enrique; Mancilla-Ramírez, Javier; González-Canudas, Jorge; Alba, Erika; Santillán-Ballesteros, René; Morales-Barquet, Deneb; Sandoval-Plata, Gabriela

    2016-01-01

    The response of the adaptive immune system is usually less intense in premature neonates than term neonates. The primary objective of this study was to determine whether immunological parameters vary between preterm (PT) neonates (≥32 weeks of gestational age) and very preterm (VPT) neonates (<32 weeks of gestational age). A cross-sectional study was designed to prospectively follow PT and VPT neonates at risk of developing sepsis. Plasma concentrations of IFN-γ, TNF-α, IL-6, IL-4, and IL-10 were detected using flow cytometry. C-reactive protein (C-RP) and the complex SC5b-9 were detected in the plasma using commercial kits. A total of 83 patients were included. The laboratory results and clinical histories showed that 26 patients had sepsis; 14 were VPT, and 12 were PT. The levels of C-RP, SC5b-9 (innate immune response mediators), and IL-10 or IL-4 (anti-inflammatory cytokines) were elevated during sepsis in both groups. IFN-γ, TNF-α, and IL-6 (proinflammatory cytokines) were differentially elevated only in PT neonates. The VPT neonates with sepsis presented increases in C-RP, SC5b-9, and anti-inflammatory cytokines but not in proinflammatory cytokines, whereas PT neonates showed increases in all studied mediators of inflammation. PMID:27293317

  8. Inattentive behaviour is associated with poor working memory and slow processing speed in very pre-term children in middle childhood.

    PubMed

    Mulder, Hanna; Pitchford, Nicola J; Marlow, Neil

    2011-03-01

    BACKGROUND. Problem behaviour is common following pre-term birth, but the underlying nature of these difficulties is not well known. AIMS. We sought to establish the mechanisms underpinning behavioural difficulties in very pre-term (VPT) children in middle childhood by comparing their performance to that of term born peers on tasks of working memory, inhibition, and processing speed, and relating these to parent and teacher assessments of their behaviour. Particular focus was given to inattention and overactive/impulsive behaviour, as these behaviours have been associated with different neuropsychological problems in term children. SAMPLES. A group of VPT children (gestational age < 31 weeks, N= 56) aged 9-10 years and term controls (N= 22) participated in the study. METHOD. Children were assessed with measures of working memory, inhibition, and processing speed. Parents and teachers reported behavioural problems using the Strengths and Difficulties Questionnaire and two additional scales measuring overactive/impulsive behaviour and inattention. RESULTS. Results revealed increased rates of problem behaviour in VPT compared to term children for parent-rated total difficulties, hyperactivity, emotional problems, peer problems, prosocial behaviour, overactive/impulsive behaviour, and parent- and teacher-rated inattention. Processing speed and working memory, but not inhibition, were significantly related to inattentive and overactive/impulsive behaviour. CONCLUSIONS. The increased rates of inattention and overactive/impulsive behaviour in VPT children may be explained by impairment in processing speed and working memory. Expected links between overactive/impulsive behaviour and inhibitory control were not identified, suggesting the nature of such difficulties may be different in VPT compared to term children.

  9. Cognitive and behavioral aspects of executive functions in children born very preterm.

    PubMed

    Ritter, Barbara Catherine; Perrig, Walter; Steinlin, Maja; Everts, Regula

    2014-03-01

    This study investigated whether children aged between 8 and 12 years born very preterm (VPT) and/or at very low birth weight (VLBW) performed lower than same-aged term-born controls in cognitive and behavioral aspects of three executive functions: inhibition, working memory, and shifting. Special attention was given to sex differences. Fifty-two VPT/VLBW children (26 girls, 50%) born in the cohort of 1998-2003 and 36 same-aged term-born children (18 girls, 50%) were recruited. As cognitive measures, children completed tasks of inhibition (Color-Word Interference Test, D-KEFS; Delis, Kaplan, & Kramer, 2001), working memory (digit span backwards, HAWIK-IV; Petermann & Petermann, 2008), and shifting (Trail Making Test, number-letter-switching, D-KEFS; Delis et al., 2001). As behavioral measures, mothers completed the Behavior Rating Inventory of Executive Function (BRIEF; Gioia, Isquith, Guy, & Kenworthy, 2000). Scales of interest were inhibit, working memory, and shift. Analyses of the cognitive aspects of executive functions revealed that VPT/VLBW children performed significantly lower than controls in the shifting task but not in the working memory and inhibition tasks. Analyses of behavioral aspects of executive functions revealed that VPT/VLBW children displayed more problems than the controls in working memory in everyday life but not in inhibition and shifting. No sex differences could be detected either in cognitive or behavioral aspects of executive functions. To conclude, cognitive and behavioral measures of executive functions were not congruent in VPT/VLBW children. In clinical practice, the combination of cognitive and behavioral instruments is required to disclose children's executive difficulties.

  10. Outcomes of Different Vital Pulp Therapy Techniques on Symptomatic Permanent Teeth: A Case Series

    PubMed Central

    Asgary, Saeed; Fazlyab, Mahta; Sabbagh, Sedigheh; Eghbal, Mohammad Jafar

    2014-01-01

    In modern endodontics, vital pulp therapy (VPT) has been considered an ultra-conservative treatment modality. Based on the level of pulp preservation, VPT includes stepwise excavation, indirect pulp capping (IDPC), direct pulp capping (DPC), miniature pulpotomy (MP), partial/Cvek pulpotomy and coronal/complete pulpotomy (CP). The present article reviews the treatment outcomes of 94 permanent teeth with irreversible pulpitis treated with either IDPC (n=28), DPC (n=28), MP (n=29) or CP (n=9) using calcium-enriched mixture (CEM) cement. After a mean follow-up time of 12.3 months, 93 treated teeth were radiographic/clinically successful; only one radiographic failure was observed in the DPC group. PMID:25386213

  11. Selective weighting of cutaneous receptor feedback and associated balance impairments following short duration space flight.

    PubMed

    Strzalkowski, Nicholas D J; Lowrey, Catherine R; Perry, Stephen D; Williams, David R; Wood, Scott J; Bent, Leah R

    2015-04-10

    The present study investigated the perception of low frequency (3 Hz) vibration on the foot sole and its relationship to standing balance following short duration space flight in nine astronauts. Both 3 Hz vibration perception threshold (VPT) and standing balance measures increased on landing day compared to pre-flight. Contrary to our hypothesis, a positive linear relationship between these measures was not observed; however astronauts with the most sensitive skin (lowest 3 Hz VPT) were found to have the largest sway on landing day. While the change in foot sole sensitivity does not appear to directly relate to standing balance control, an exploratory strategy may be employed by astronauts whose threshold to pressure information is lower. Understanding sensory adaptations and balance control has implications to improve balance control strategies following space flight and in sensory impaired populations on earth.

  12. Automatic Generation of Analytic Equations for Vibrational and Rovibrational Constants from Fourth-Order Vibrational Perturbation Theory

    NASA Astrophysics Data System (ADS)

    Matthews, Devin A.; Gong, Justin Z.; Stanton, John F.

    2014-06-01

    The derivation of analytic expressions for vibrational and rovibrational constants, for example the anharmonicity constants χij and the vibration-rotation interaction constants α^B_r, from second-order vibrational perturbation theory (VPT2) can be accomplished with pen and paper and some practice. However, the corresponding quantities from fourth-order perturbation theory (VPT4) are considerably more complex, with the only known derivations by hand extensively using many layers of complicated intermediates and for rotational quantities requiring specialization to orthorhombic cases or the form of Watson's reduced Hamiltonian. We present an automatic computer program for generating these expressions with full generality based on the adaptation of an existing numerical program based on the sum-over-states representation of the energy to a computer algebra context. The measures taken to produce well-simplified and factored expressions in an efficient manner are discussed, as well as the framework for automatically checking the correctness of the generated equations.

  13. A Review on Vital Pulp Therapy in Primary Teeth

    PubMed Central

    Parisay, Iman; Ghoddusi, Jamileh; Forghani, Maryam

    2015-01-01

    Maintaining deciduous teeth in function until their natural exfoliation is absolutely necessary. Vital pulp therapy (VPT) is a way of saving deciduous teeth. The most important factors in success of VPT are the early diagnosis of pulp and periradicular status, preservation of the pulp vitality and proper vascularization of the pulp. Development of new biomaterials with suitable biocompatibility and seal has changed the attitudes towards preserving the reversible pulp in cariously exposed teeth. Before exposure and irreversible involvement of the pulp, indirect pulp capping (IPC) is the treatment of choice, but after the spread of inflammation within the pulp chamber and establishment of irreversible pulpitis, removal of inflamed pulp tissue is recommended. In this review, new concepts in preservation of the healthy pulp tissue in deciduous teeth and induction of the reparative dentin formation with new biomaterials instead of devitalization and the consequent destruction of vital tissues are discussed. PMID:25598803

  14. A review on vital pulp therapy in primary teeth.

    PubMed

    Parisay, Iman; Ghoddusi, Jamileh; Forghani, Maryam

    2015-01-01

    Maintaining deciduous teeth in function until their natural exfoliation is absolutely necessary. Vital pulp therapy (VPT) is a way of saving deciduous teeth. The most important factors in success of VPT are the early diagnosis of pulp and periradicular status, preservation of the pulp vitality and proper vascularization of the pulp. Development of new biomaterials with suitable biocompatibility and seal has changed the attitudes towards preserving the reversible pulp in cariously exposed teeth. Before exposure and irreversible involvement of the pulp, indirect pulp capping (IPC) is the treatment of choice, but after the spread of inflammation within the pulp chamber and establishment of irreversible pulpitis, removal of inflamed pulp tissue is recommended. In this review, new concepts in preservation of the healthy pulp tissue in deciduous teeth and induction of the reparative dentin formation with new biomaterials instead of devitalization and the consequent destruction of vital tissues are discussed.

  15. Prognostic Factors for Poor Cognitive Development in Children Born Very Preterm or With Very Low Birth Weight: A Systematic Review

    PubMed Central

    Linsell, Louise; Malouf, Reem; Morris, Joan; Kurinczuk, Jennifer J.; Marlow, Neil

    2016-01-01

    Importance Cognitive delay is the most common form of impairment among children born very preterm (VPT) at 32 weeks or less or with very low birth weight (VLBW) of 1250 g or less. It is important to identify factors that are robust predictors of long-term outcome because the ability to predict future prognosis will assist in health care and educational service planning and provision. Objective To identify prognostic factors for poor cognitive development in children born VPT or with VLBW. Evidence Review A systematic review was conducted using MEDLINE, EMBASE, and PyscINFO databases to identify studies published between January 1, 1990, and June 1, 2014, reporting multivariable prediction models for neurodevelopment in VPT or VLBW children. Thirty-one studies comprising 98 risk factor models for cognitive outcome were identified. Two independent reviewers extracted key information on study design, outcome definition, risk factor selection, model development, and reporting and conducted a risk-of-bias assessment. Findings There was evidence that male sex, nonwhite race/ethnicity, lower level of parental education, and lower birth weight were predictive of global cognitive impairment in children younger than 5 years. In older children, only the influence of parental education was sustained. Male sex was also predictive of language impairment in early infancy, but not in middle childhood. Gestational age was a poor predictor of cognitive outcome, probably because of a reduced discriminatory power in cohorts restricted to a narrow gestational age range. The prognostic value of neonatal brain injury was unclear; however, studies adopted mixed strategies for managing children with physical or neurosensory disability. Conclusions and Relevance The influence of perinatal risk factors on cognitive development of VPT or VLBW children appears to diminish over time as environmental factors become more important. It is difficult to isolate cognitive outcomes from motor and

  16. Prognostic Factors for Behavioral Problems and Psychiatric Disorders in Children Born Very Preterm or Very Low Birth Weight: A Systematic Review

    PubMed Central

    Linsell, Louise; Malouf, Reem; Johnson, Samantha; Morris, Joan; Kurinczuk, Jennifer J.; Marlow, Neil

    2017-01-01

    Objective Risk factors associated with adverse behavioral outcomes in very preterm (VPT) or very low birth weight (VLBW) infants are poorly understood. The aim of this article is to identify prognostic factors for behavioral problems and psychiatric disorders in children born ≤32 weeks gestational age or with birth weight ≤1250 g. Method A systematic review was conducted using MEDLINE, Embase, and Pyscinfo databases to identify studies published between January 1, 1990 and June 1, 2014 reporting multivariable prediction models for behavioral problems or psychiatric disorders in VPT/VLBW children. Fifteen studies were identified and 2 independent reviewers extracted key information on study design, outcome definition, risk factor selection, model development, reporting, and conducted a risk of bias assessment. Results The 15 studies included reported risk factor analyses for the following domains: general behavioral problems (n = 8), any psychiatric disorder (n = 2), autism spectrum symptoms/disorders (n = 5), and attention deficit/hyperactivity disorder (n = 1). Findings were inconclusive because of the following: small number of studies in each domain, heterogeneity in outcome measures, lack of overlap in the risk factors examined, and differences in strategies for dealing with children with neurological impairments. Conclusion There is a lack of evidence concerning risk factors for behavior problems and psychiatric disorders among VPT/VLBW survivors. This review has identified the need for further research examining the etiology of disorders of psychological development in the VPT/VLBW population to refine risk prediction and identify targets for intervention. Large well-conducted studies that use standard diagnostic evaluations to assess psychiatric disorders throughout childhood and adolescence are required. PMID:26703327

  17. Associations between anthropometric factors and peripheral neuropathy defined by vibrotactile perception threshold among industrial vibrating tool operators in Japan

    PubMed Central

    Takemura, Shigeki; Yoshimasu, Kouichi; Tsuno, Kanami; Fukumoto, Jin; Kuroda, Mototsugu; Miyashita, Kazuhisa

    2016-01-01

    Objectives: The effect of anthropometric factors on the fingertip vibrotactile perception threshold (VPT) of industrial vibrating tool operators (IVTOs) is not well known. The purpose of this study was to investigate the associations between anthropometric factors and fingertip VPT. Methods: We included for analysis two groups of IVTOs: Group 1, predominantly forestry workers (n=325); and Group 2, public servants (n=68). These IVTOs regularly received medical examinations to evaluate hand-arm vibration syndrome. In the examination, measurements of their fingertip VPTs were taken before and after cold-water immersion (10 minutes at 10°C for Group 1 and 5 minutes at 12°C for Group 2). Their body height and weight were measured to calculate the body mass index (BMI). The presence of peripheral neuropathy (PN) was defined as a VPT ≥17.5 dB at 10 minutes after finishing immersion. Results: In the univariate analysis, weight and BMI were associated with a decreased risk of PN in both Groups 1 and 2. The negative association between BMI and PN remained in the multivariate analysis consistently, but weight reached marginal significance only in the multivariate analysis without BMI in both the groups. Age was positively associated with PN consistently in Group 1 but not in Group 2. Years exposed to vibration showed positive association with PN only in the univariate analysis of Group 1. Conclusions: Among IVTOs, factors reflecting body heat production, such as weight and BMI, were associated with a decreased risk of VPT-defined PN, regardless of the task engaged. PMID:27010084

  18. Subperiosteal preparation using a new piezoelectric device: a histological examination.

    PubMed

    Stoetzer, Marcus; Magel, Anja; Kampmann, Andreas; Lemound, Juliana; Gellrich, Nils-Claudius; von See, Constantin

    2014-01-01

    Einleitung: Subperiostale Präparation mit einem konventionellen Raspatorium führt zu Störungen der lokalen Mikrozirkulation und Immunhistochemie aufgrund von Mikrothromben im Gefäßssystem. Normalerweise kann die Beschädigung von Weichgewebe durch die Anwendung der Piezochirurgie vermeiden werden. Aus diesem Grund wurde der Effekt eines neuen piezoelektrischen Ansatzes auf die Immunhistochemie und die Histologie des Periostes untersucht und mit der konventionellen Präparation mit dem Raspatorium verglichen. Material und Methode: Lewis-Ratten (n=50) wurden randomisiert auf eine von fünf Gruppen aufgeteilt. Die subperiostale Präparation wurde entweder mit dem neuen piezoelektrischen Ansatz oder mit einem konventionellen Raspatorium durchgeführt. Immunhistochemische und histologische Analysen wurden direct, sowie am Tag drei und acht durchgeführt. Eine statistische Auswertung der angefärbten histologischen Schnitte erfolgte offline unter Nutzung einer Varianzanalyse ANOVA (p>0.05).Ergebnisse: Zu allen Zeiten zeigte sich in der immunhistochemischen Betrachtung sowie in der histologischen Betrachtung eine homogenere Struktur bei den Ratten, welche mit dem neuen piezolektrischen Ansatz operiert wurden, im Vergleich zu den Tieren, welche mit dem Raspatorium operiert wurden. Diskussion: Die Anwendung des neuen piezolekzrischen Ansatzes zur subperiostalen Präparation geht einher mit einem harmonischen Bild in den immunhistochemischen und histologischen Schnitten, im Vergleich zur subperiostalen Präparation mit dem Raspatorium. Infolgedessen, wie man erwarten kann, hat der neue piezoelektrische Ansatz eine positive Wirkung in erster Linie auf das Weichgewebe, das Periost sowie auf das Umgebungsgewebe.

  19. A Cross Sectional Study on Hand-arm Vibration Syndrome among a Group of Tree Fellers in a Tropical Environment

    PubMed Central

    SU, Anselm Ting; MAEDA, Setsuo; FUKUMOTO, Jin; MIYAI, Nobuyuki; ISAHAK, Marzuki; YOSHIOKA, Atsushi; NAKAJIMA, Ryuichi; BULGIBA, Awang; MIYASHITA, Kazuhisa

    2014-01-01

    This study aimed to explore the clinical characteristics of hand arm vibration syndrome (HAVS) in a group of tree fellers in a tropical environment. We examined all tree fellers and selected control subjects in a logging camp of central Sarawak for vibration exposure and presence of HAVS symptoms utilizing vibrotactile perception threshold test (VPT) and cold water provocation test (CWP). None of the subjects reported white finger. The tree fellers reported significantly higher prevalence of finger coldness as compared to the control subjects (OR=10.32, 95%CI=1.21–87.94). A lower finger skin temperature, longer fingernail capillary return time and higher VPT were observed among the tree fellers as compared to the control subjects in all fingers (effect size >0.5). The VPT following CWP of the tree fellers was significantly higher (repeated measures ANOVA p=0.002, partial η2=0.196) than the control subject. The A (8) level was associated with finger tingling, numbness and dullness (effect size=0.983) and finger coldness (effect size=0.524) among the tree fellers. Finger coldness and finger tingling, numbness and dullness are important symptoms for HAVS in tropical environment that may indicate vascular and neurological damage due to hand-transmitted vibration exposure. PMID:24739764

  20. A novel, non-invasive method of respiratory monitoring for use with stereotactic procedures

    PubMed Central

    Cleary, Daniel R.; Phillips, Ryan S.; Wallisch, Michael; Heinricher, Mary M.

    2012-01-01

    Accurate monitoring of respiration is often needed for neurophysiological studies, as either a dependent experimental variable or an indicator of physiological state. Current options for respiratory monitoring of animals held in a stereotaxic frame include EMG recordings, pneumotachograph measurements, inductance-plethysmography, whole-body plethysmography (WBP), and visual monitoring. While powerful, many of these methods prevent access to the animal’s body, interfere with experimental manipulations, or require deep anesthesia and additional surgery. For experiments where these issues may be problematic, we developed a non-invasive method of recording respiratory parameters specifically for use with animals held in a stereotaxic frame. This system, ventilation pressure transduction (VPT), measures variations in pressure at the animal’s nostril from inward and outward airflow during breathing. These pressure changes are detected by a sensitive pressure transducer, then filtered and amplified. The output is an analog signal representing each breath. VPT was validated against WBP using 10% carbon dioxide and systemic morphine (4 mg/kg) challenges in lightly anesthetized animals. VPT accurately represented breathing rate and tidal volume changes under both baseline and challenge conditions. This novel technique can therefore be used to measure respiratory rate and relative tidal volume when stereotaxic procedures are needed for neuronal manipulations and recording. PMID:22771713

  1. A cross sectional study on hand-arm vibration syndrome among a group of tree fellers in a tropical environment.

    PubMed

    Su, Anselm Ting; Maeda, Setsuo; Fukumoto, Jin; Miyai, Nobuyuki; Isahak, Marzuki; Yoshioka, Atsushi; Nakajima, Ryuichi; Bulgiba, Awang; Miyashita, Kazuhisa

    2014-01-01

    This study aimed to explore the clinical characteristics of hand arm vibration syndrome (HAVS) in a group of tree fellers in a tropical environment. We examined all tree fellers and selected control subjects in a logging camp of central Sarawak for vibration exposure and presence of HAVS symptoms utilizing vibrotactile perception threshold test (VPT) and cold water provocation test (CWP). None of the subjects reported white finger. The tree fellers reported significantly higher prevalence of finger coldness as compared to the control subjects (OR=10.32, 95%CI=1.21-87.94). A lower finger skin temperature, longer fingernail capillary return time and higher VPT were observed among the tree fellers as compared to the control subjects in all fingers (effect size >0.5). The VPT following CWP of the tree fellers was significantly higher (repeated measures ANOVA p=0.002, partial η(2)=0.196) than the control subject. The A (8) level was associated with finger tingling, numbness and dullness (effect size=0.983) and finger coldness (effect size=0.524) among the tree fellers. Finger coldness and finger tingling, numbness and dullness are important symptoms for HAVS in tropical environment that may indicate vascular and neurological damage due to hand-transmitted vibration exposure.

  2. Outcomes of vital pulp therapy in permanent teeth with different medicaments based on review of the literature

    PubMed Central

    Akhlaghi, Najmeh; Khademi, Abbasali

    2015-01-01

    Vital pulp therapy (VPT) is a biologic and conservative treatment modality to preserve the vitality and function of the coronal or remaining radicular pulp tissue in vital permanent teeth. A search was conducted via the Cochrane database, PubMed, MEDLINE, and Ovid for any articles with the criteria for “pulp-capping,” or “pulp-capping materials” and “VPT outcomes” from 1978 to mid 2014. All articles were evaluated and the valid papers were selected. The outcomes of various VPT techniques, including indirect pulp treatment, direct pulp treatment, partial pulpotomy, and complete pulpotomy in vital permanent teeth were extracted. Although various studies have different research approach, most studies noted a favorable treatment outcome. Mineral trioxide aggregate (MTA) appears to be more effective than calcium hydroxide (Ca(OH)2) for maintaining long-term pulp vitality after indirect and direct pulp-capping. However, it seems that the success rate for partial pulpotomy and pulpotomy with Ca(OH)2 is similar to MTA. PMID:26604953

  3. Method and mechanism of vapor phase treatment-total reflection X-ray fluorescence for trace element analysis on silicon wafer surface

    NASA Astrophysics Data System (ADS)

    Takahara, Hikari; Mori, Yoshihiro; Shimazaki, Ayako; Gohshi, Yohichi

    2010-12-01

    Vapor phase treatment (VPT) is a pretreatment with hydrofluoric acid vapor to raise the sensitivity of total reflection X-ray fluorescence spectroscopy (TXRF) for trace metal analysis on silicon wafers. The International Organization for Standardization/Technical Committee 201/Working Group 2 (ISO/TC201/WG2) has been investigating the method to analyze 10 9 atoms/cm 2 level of metallic contamination on the silicon wafer surface. Though VPT can enhance the TXRF signal intensity from the metallic contamination, it has turned out that the magnitude of the enhancement varies with the type of methods and the process conditions. In this study, approaches to increase TXRF intensity by VPT are investigated using a fuming chamber in an automated VPD instrument. Higher signal intensity can be obtained when condensation is formed on the sample surface in a humidifying atmosphere and with a decreasing stage temperature. Surface observations with SEM and AFM show that particles with ~ 4 μm in diameter are formed and unexpectedly they are dented from the top surface level.

  4. Role of pars plana vitrectomy and membrane peel in vitreomacular traction associated with retinal vasoproliferative tumors

    PubMed Central

    Castro-Navarro, Verónica; Saktanasate, Jarin; Say, Emil Anthony T.; Chiang, Allen; Shields, Carol Lally

    2016-01-01

    To report a case of retinal vasoproliferative tumor (VPT) with secondary epiretinal membrane (ERM) formation and vitreo-macular traction managed by pars plana vitrectomy (PPV) and membrane peel. A 29-year-old male was referred for management of decreased vision in the right eye (OD) for 1 week. Presenting visual acuity was 20/50 Snellen feet (ft) OD, and fundus examination showed an ERM associated with a reddish-yellow mass in the inferotemporal quadrant with overlying exudation, hemorrhage, and subretinal fluid consistent with VPT, and cryotherapy was recommended. Two months later, there was complete tumor regression, but there was decreased vision from progressive vitreomacular traction to 20/400 ft. PPV with combined ERM and internal limiting membrane (ILM) peel were performed with resolution of vitreomacular traction and improvement of visual acuity to 20/50 ft at 6 months. PPV with combined ERM and ILM peel is effective for vision loss secondary to ERM and vitreomacular traction associated with retinal VPT. PMID:27843233

  5. Rovibrational Spectroscopic Constants and Fundamental Vibrational Frequencies for Isotopologues of Cyclic and Bent Singlet HC2N isomers

    NASA Technical Reports Server (NTRS)

    Inostroza, Natalia; Fortenberry, Ryan C.; Huang, Xinchuan; Lee, Timothy J.

    2013-01-01

    Through established, highly-accurate ab initio quartic force fields (QFFs), a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1(sup 1) 1A' and bent 2(sup 1)A' DCCN, H(C13)CCN, HC(C-13)N, and HCC(N-15) isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1 to 3.2 / cm range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly-dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X 3A0 HCCN.

  6. Rovibrational spectroscopic constants and fundamental vibrational frequencies for isotopologues of cyclic and bent singlet HC{sub 2}N isomers

    SciTech Connect

    Inostroza, Natalia; Fortenberry, Ryan C.; Lee, Timothy J.; Huang, Xinchuan

    2013-12-01

    Through established, highly accurate ab initio quartic force fields, a complete set of fundamental vibrational frequencies, rotational constants, and rovibrational coupling and centrifugal distortion constants have been determined for both the cyclic 1 {sup 1} A' and bent 2 {sup 1} A' DCCN, H{sup 13}CCN, HC{sup 13}CN, and HCC{sup 15}N isotopologues of HCCN. Spectroscopic constants are computed for all isotopologues using second-order vibrational perturbation theory (VPT2), and the fundamental vibrational frequencies are computed with VPT2 and vibrational configuration interaction (VCI) theory. Agreement between VPT2 and VCI results is quite good, with the fundamental vibrational frequencies of the bent isomer isotopologues in accord to within a 0.1-3.2 cm{sup –1} range. Similar accuracies are present for the cyclic isomer isotopologues. The data generated here serve as a reference for astronomical observations of these closed-shell, highly dipolar molecules using new, high-resolution telescopes and as reference for laboratory studies where isotopic labeling may lead to elucidation of the formation mechanism for the known interstellar molecule: X {sup 3} A' HCCN.

  7. Road work on memory lane--functional and structural alterations to the learning and memory circuit in adults born very preterm.

    PubMed

    Salvan, Piergiorgio; Froudist Walsh, Seán; Allin, Matthew P G; Walshe, Muriel; Murray, Robin M; Bhattacharyya, Sagnik; McGuire, Philip K; Williams, Steven C R; Nosarti, Chiara

    2014-11-15

    Very preterm (VPT) birth is considered a risk factor not only for neurological impairment, but also for reduced function in several cognitive domains in childhood and later in life. Individuals who were born VPT are more likely to demonstrate learning and memory difficulties compared to term-born controls. These problems contribute to more VPT-born children repeating grades and underachieving in school. This, in turn, affects their prospects in adult life. Here we aimed to 1) study how the VPT-born adult brain functionally recruited specific areas during learning, i.e. encoding and recall across four repeated blocks of verbal stimuli, and to investigate how these patterns of activation differed from term-born subjects; and 2) probe the microstructural differences of white-matter tracts connecting these areas to other parts of the learning and memory network. To investigate these functional-structural relationships we analyzed functional and diffusion-weighted MRI. Functional-MRI and a verbal paired associate learning (VPAL) task were used to extract Blood Oxygenation Level Dependent (BOLD) activity in 21 VPT-born adults (<33 weeks of gestation) (mean age: 19.68 years ± 0.85; IQ: 99.86 ± 11.20) and 10 term-born controls (mean age: 19.87 years ± 2.04; IQ: 108.9 ± 13.18). Areas in which differences in functional activation were observed between groups were used as seed regions for tractography. Fractional anisotropy (FA) of the tract-skeleton was then compared between groups on a voxel-wise basis. Results of functional MRI analysis showed a significantly different pattern of activation between groups during encoding in right anterior cingulate-caudate body, and during retrieval in left thalamus, hippocampus and parts of left posterior parahippocampal gyrus. The number of correctly recalled word pairs did not statistically differ between individuals who were born VPT and controls. The VPT-born group was found to have reduced FA in tracts passing through the

  8. Neurosensory sequelae assessed by thermal and vibrotactile perception thresholds after local cold injury

    PubMed Central

    Carlsson, Daniel; Burström, Lage; Lilliesköld, Victoria Heldestad; Nilsson, Tohr; Nordh, Erik; Wahlström, Jens

    2014-01-01

    Background Local freezing cold injuries are common in the north and sequelae to cold injury can persist many years. Quantitative sensory testing (QST) can be used to assess neurosensory symptoms but has previously not been used on cold injury patients. Objective To evaluate neurosensory sequelae after local freezing cold injury by thermal and vibrotactile perception thresholds and by symptom descriptions. Design Fifteen patients with a local freezing cold injury in the hands or feet, acquired during military training, were studied with QST by assessment of vibrotactile (VPT), warmth (WPT) and cold (CPT) perception thresholds 4 months post-injury. In addition, a follow-up questionnaire, focusing on neurovascular symptoms, was completed 4 months and 4 years post-injury. Results QST demonstrated abnormal findings in one or both affected hands for VPT in 6 patients, for WPT in 4 patients and for CPT in 1 patient. In the feet, QST was abnormal for VPT in one or both affected feet in 8 patients, for WPT in 6 patients and for CPT in 4 patients. Freezing cold injury related symptoms, e.g. pain/discomfort when exposed to cold, cold sensation and white fingers were common at 4 months and persisted 4 years after the initial injury. Conclusions Neurosensory sequelae after local freezing cold injury, in terms of abnormal thermal and/or vibration perception thresholds, may last at least 4 months after the initial injury. Symptoms such as pain/discomfort at cold exposure, cold sensations and white fingers may persist at least 4 years after the initial injury. PMID:24624368

  9. Static balance function in children with a history of preterm birth

    PubMed Central

    Eshaghi, Zahra; Jafari, Zahra; Jalaie, Shohreh

    2015-01-01

    Background: The incomplete maturation of brain in preterm children results in long-term neurodevelopmental impairment. This study aimed to investigate the static balance function in children with a history of preterm birth. Methods: Participants were 31 preterm children including 21 moderately preterm (MPT), 10 very preterm (VPT), and 20 term children aged 5.5 and 6.5 years. The cervical vestibular-evoked myogenic potential (cVEMP) test and four static balance subscales of BOT-2 were performed. Results: The VPT children showed a significant increase in P1 and N1 wave latencies in cVEMP test compared to those in the term children (p= 0.041). Mean scores in the four static balance subscales of BOT-2 were significantly lower in the preterm children compared to those in the term children (p= 0.025). The P1 wave latency (p= 0.003) and mean score of standing on a balance beam with open eyes (p= 0.039) were significantly lower in the VPT children compared to those in the MPT children. A significant correlation was observed between the mean score in exercise 4 (standing on one leg on a balance beam with closed eyes) of static balance subscales of BOT-2 and P1 (r= -0.267, p= 0.036) and N1 (r= -0.304, p= 0.016) wave latencies of cVEMP. Conclusion: The longer latency of cVEMP waves along with a poor performance of children with a history of preterm birth suggests a possible defect in central vestibular pathway. PMID:26913273

  10. Anharmonic zero point vibrational energies: Tipping the scales in accurate thermochemistry calculations?

    NASA Astrophysics Data System (ADS)

    Pfeiffer, Florian; Rauhut, Guntram; Feller, David; Peterson, Kirk A.

    2013-01-01

    Anharmonic zero point vibrational energies (ZPVEs) calculated using both conventional CCSD(T) and MP2 in combination with vibrational second-order perturbation theory (VPT2) are compared to explicitly correlated CCSD(T)-F12 and MP2-F12 results that utilize vibrational configuration interaction (VCI) theory for 26 molecules of varying size. Sequences of correlation consistent basis sets are used throughout. It is found that the explicitly correlated methods yield results close to the basis set limit even with double-zeta quality basis sets. In particular, the anharmonic contributions to the ZPVE are accurately recovered at just the MP2 (or MP2-F12) level of theory. Somewhat surprisingly, the best vibrational CI results agreed with the VPT2 values with a mean unsigned deviation of just 0.09 kJ/mol and a standard deviation of just 0.11 kJ/mol. The largest difference was observed for C4H4O (0.34 kJ/mol). A simplified version of the vibrational CI procedure that limited the modal expansion to at most 2-mode coupling yielded anharmonic corrections generally within about 0.1 kJ/mol of the full 3- or 4-mode results, except in the cases of C3H8 and C4H4O where the contributions were underestimated by 1.3 and 0.8 kJ/mol, respectively (34% and 40%, respectively). For the molecules considered in this work, accurate anharmonic ZPVEs are most economically obtained by combining CCSD(T)-F12a/cc-pVDZ-F12 harmonic frequencies with either MP2/aug-cc-pVTZ/VPT2 or MP2-F12/cc-pVDZ-F12/VCI anharmonic corrections.

  11. Evaluation of children's dental anxiety levels at a kindergarten and at a dental clinic.

    PubMed

    Kilinç, Gulser; Akay, Aynur; Eden, Ece; Sevinç, Nilgün; Ellidokuz, Hülya

    2016-08-18

    This study evaluated the dental anxiety levels of preschool children at a kindergarten and at a dental clinic. The anxiety levels of ninety 4-6-year-old (4.99 ± 0.81) preschool children were evaluated according to pulse rates, the facial image scale (FIS), the Venham picture test (VPT), and the Frankl behavior rating scale. The children's mothers were asked to complete the state-trait anxiety inventory (STAI) forms 1 and 2 (STAI 2 and STAI 2). The sample t-test, Mann-Whitney U test, and Pearson's correlation test were used. A statistically significant difference was observed between the children's pulse rates when measured at the dental clinic and those when measured at the kindergarten (p < 0.001). Although the results were not statistically significant, more negative facial expressions were observed in the children at the dental clinic than in those at the kindergarten when assessed using FIS and VPT (p = 0.090 and p = 0.108, respectively). There was a statistically significant correlation between the transient anxiety levels (STAI 1) of mothers and the VPT scores of their children evaluated at the dental clinic (r = 0.506, p < 0.001). The continuous anxiety level of the mothers of males was found to be significantly higher (p = 0.033) than that of the mothers of females (STAI 2). Although the children had been informed about dentistry and were introduced to a dentist at the kindergarten, their anxiety levels seemingly increased as they arrived at the dental clinic. The significant increase observed in the children's pulse rates was a physical indicator that their anxiety levels had increased. It can be concluded that the children felt more anxious at the dental clinic that at the kindergarten.

  12. World War 2 in Alaska: A Historic and Resources Management Plan. Volume 1. A History of World War 2 in Alaska and Management Plan

    DTIC Science & Technology

    1987-05-01

    Aum M 1& ?VPT do SM a Pft CWAW" U.S. Army, Corps of Engineers Documentary P.O. Box 898 1912-1946 (Final Report) Anchorage, Alaska 99506-0898 14 IL...factors: I) impressions gained .. from the examination of the huge body of primary documentary information which is included in the project data base, 2...which are of interest for other reasons noted in documentary sources. For instance, the Bureau of Indian Affairs operated an extensive radio network in

  13. Implementation of Process Management for a Secure Archival Storage System.

    DTIC Science & Technology

    1981-03-01

    V.DT.MSGQ.NEXTP_’SG(R2), UNI e iB2 FFFF 0134 5E08 EXIT FROM MSG- LS TINIT 01B6 01CZ’ v~ibe 5Eee ELSiE (diBA 01CkO’ 013C 6F21 LD VPT.MSG-Q.Ni;XTMSG(R~e...RET V 28 2 hEND RUNNING_.P 220 £282 SPIN LOCK PROCEDUPE * USLS SPIN LOCK MiCh. * LOCLS UNLOCKID DATA ’ STRUCTURE (POINTED TO * BY INPUT PARAMETER

  14. Predicting the structure and vibrational frequencies of ethylene using harmonic and anharmonic approaches at the Kohn-Sham complete basis set limit.

    PubMed

    Buczek, Aneta; Kupka, Teobald; Broda, Małgorzata A; Żyła, Adriana

    2016-01-01

    In this work, regular convergence patterns of the structural, harmonic, and VPT2-calculated anharmonic vibrational parameters of ethylene towards the Kohn-Sham complete basis set (KS CBS) limit are demonstrated for the first time. The performance of the VPT2 scheme implemented using density functional theory (DFT-BLYP and DFT-B3LYP) in combination with two Pople basis sets (6-311++G** and 6-311++G(3df,2pd)), the polarization-consistent basis sets pc-n, aug-pc-n, and pcseg-n (n = 0, 1, 2, 3, 4), and the correlation-consistent basis sets cc-pVXZ and aug-cc-pVXZ (X = D, T, Q, 5, 6) was tested.The BLYP-calculated harmonic frequencies were found to be markedly closer than the B3LYP-calculated harmonic frequencies to the experimentally derived values, while the calculated anharmonic frequencies consistently underestimated the observed wavenumbers. The different basis set families gave very similar estimated values for the CBS parameters. The anharmonic frequencies calculated with B3LYP/aug-pc-3 were consistently significantly higher than those obtained with the pc-3 basis set; applying the aug-pcseg-n basis set family alleviated this problem. Utilization of B3LYP/aug-pcseg-n basis sets instead of B3LYP/aug-cc-pVXZ, which is computationally less expensive, is suggested for medium-sized molecules. Harmonic BLYP/pc-2 calculations produced fairly accurate ethylene frequencies. Graphical Abstract In this study, the performance of the VPT2 scheme implemented using density functional theory (DFT-BLYP and DFT-B3LYP) in combination with the polarization-consistent basis sets pc-n, aug-pc-n, and pcseg-n (n = 0, 1, 2, 3, 4), and the correlation-consistent basis sets cc-pVXZ and aug-cc-pVXZ (X = D, T, Q, 5, and 6) was tested. For the first time, we demonstrated regular convergence patterns of the structural, harmonic, and VPT2-calculated anharmonic vibrational parameters of ethylene towards the Kohn-Sham complete basis set (KS CBS) limit.

  15. A comparison of ZnO films deposited on indium tin oxide and soda lime glass under identical conditions

    SciTech Connect

    Deka, Angshuman; Nanda, Karuna Kar

    2013-06-15

    ZnO films have been grown via a vapour phase transport (VPT) on soda lime glass (SLG) and indium-tin oxide (ITO) coated glass. ZnO film on ITO had traces of Zn and C which gives them a dark appearance while that appears yellowish-white on SLG. X-ray photoelectron spectroscopy studies confirm the traces of C in the form of C-O. The photoluminescence studies reveal a prominent green luminescence band for ZnO film on ITO.

  16. Classificaiton and Discrimination of Sources with Time-Varying Frequency and Spatial Spectra

    DTIC Science & Technology

    2007-04-01

    selectivity may not be further utilized at subsequent signal processing. The rest part of this chapter is organized as follows. Section II introduces the...of a series of M LFM waveforms, i.e., M-1 u(t) = ao exp(jwot) E vp(t - Tr - tL), (2) M=O where a0 is a complex scaler representing the transmitted...Penetration Radar", Proc. IEEE Radar Conference, pp. 64- 69, Atlanta, GA, May 2001. [3] N. C. Wild and al," Ultrasonic through-the wall surveillance

  17. A model for the computation of thermal expansivity at high compression and high temperatures - MGO as an example

    NASA Astrophysics Data System (ADS)

    Anderson, Orson L.; Oda, Hitoshi; Isaak, Donald

    1992-10-01

    The value of the thermal expansivity, alpha, over a wide range of compression, eta, and temperature is computed. Values of alpha for MgO over V,P,T conditions including those of the earth's lower mantle are suggested using a simple equation relating alpha to eta along isochores. The ab initio database is used to evaluate the parameters in the equation. The thermal expansivity is found to vary from about 1.40 alpha(a) to 0.40 alpha(a) along a geotherm through the upper and lower mantle, where alpha(a) is alpha at ambient conditions.

  18. A new paradigm of electrical stimulation to enhance sensory neural function.

    PubMed

    Breen, Paul P; ÓLaighin, Gearóid; McIntosh, Caroline; Dinneen, Sean F; Quinlan, Leo R; Serrador, Jorge M

    2014-08-01

    The ability to improve peripheral neural transmission would have significant therapeutic potential in medicine. A technology of this kind could be used to restore and/or enhance sensory function in individuals with depressed sensory function, such as older adults or patients with peripheral neuropathies. The goal of this study was to investigate if a new paradigm of subsensory electrical noise stimulation enhances somatosensory function. Vibration (50Hz) was applied with a Neurothesiometer to the plantar aspect of the foot in the presence or absence of subsensory electrical noise (1/f type). The noise was applied at a proximal site, on a defined region of the tibial nerve path above the ankle. Vibration perception thresholds (VPT) of younger adults were measured in control and experimental conditions, in the absence or presence of noise respectively. An improvement of ∼16% in VPT was found in the presence of noise. These are the first data to demonstrate that modulation of axonal transmission with externally applied electrical noise improves perception of tactile stimuli in humans.

  19. Peripheral tactile sensory perception of older adults improved using subsensory electrical noise stimulation.

    PubMed

    Breen, Paul P; Serrador, Jorge M; O'Tuathail, Claire; Quinlan, Leo R; McIntosh, Caroline; ÓLaighin, Gearóid

    2016-08-01

    Loss of tactile sensory function is common with aging and can lead to numbness and difficulty with balance and gait. In previous work we found that subsensory electrical noise stimulation (SENS) applied to the tibial nerve improved tactile perception in the soles of the feet of healthy adults. In this work we aimed to determine if SENS remained effective in an older adult population with significant levels of sensory loss. Older adult subjects (N=8, female = 4, aged 65-80) had SENS applied via surface electrodes placed proximally to the medial and lateral malleoli. Vibration perception thresholds (VPTs) were assessed in six conditions, two control conditions (no SENS) and four SENS conditions (zero mean ±15µA, 30µA, 45µA and 60µA SD). VPT was assessed at three sites on the plantar aspect of the foot. Vibration perception was significantly improved in the presence of ±30µA SENS and by 16.2±2.4% (mean ± s.e.m.) when optimised for each subject. The improvement in perception was similar across all VPT test sites.

  20. The Effect of Pulse Rate on Vacuum Phototriodes Response and the Use of AN LED Pulser to Improve Stability

    NASA Astrophysics Data System (ADS)

    Leslie, Dawn E.

    2010-04-01

    The Endcap Electromagnetic Calorimeter of the Compact Muon Solenoid detector (CMS) at the Large Hadron Collider (LHC) uses vacuum phototriodes (VPTs), which operate in the full 3.8T magnetic field of the experiment, to detect the scintillation light from the lead tungstate crystals. Initial measurements of the variation in response of VPTs, induced by sudden changes in the illuminating light pulse rate, prompted the inclusion of a dedicated stability pulser based on light emitting diodes (LEOs). The response of production VPTs, under simulated LHC operating conditions, has been investigated in three independent studies: in-situ tests with the installed endcaps at CERN, and separate VPT studies by groups at the University of Virginia, USA and Brunel University, UK. In this work, results are presented which illustrate the magnitude of the effect to demonstrate the expected stability of the VPTs during normal LHC operation, with a proposed regime for operating the stability pulser to minimise variations in response. It is demonstrated that a continuous signal at a rate of 100Hz is sufficient to reduce the change in the VPT response to <0.2%.

  1. Non-contact measurement technique of the vapor pressure of liquid and high temperature solid materials

    NASA Astrophysics Data System (ADS)

    Paradis, P.-F.; Ishikawa, T.; Yoda, S.

    2003-05-01

    Here is reported a new scheme to accurately determine the vapor pressure of undercooled, liquid, and high temperature solid materials. The method relies on an imaging technique that measures the time variation of the radius of an electrostatically levitated sample. This scheme, compared to other techniques, offers unique opportunity to explore not only the liquid above the melting point but also the undercooled states of highly reactive materials in a contamination free environment. This was exemplified in this paper with titanium. For the first time, we report the vapor pressure (V_p) of its liquid phase over a large temperature range, covering the undercooled region. Over the 1700 to 2050 K temperature range, it was measured as Log V_p(T) = 9.154 - 17978 T^{-1} (3%). Similarly, for high temperature solid titanium, the vapor pressure could be expressed as Log V_p(T) = 16.634 - 32960 T^{-1} (6%) over the 1770 to 1940 K temperature interval. From these data, the average latent heats of vaporization and sublimation were calculated respectively as 344.8 kJ/kg (8%) and 632.1 kJ/kg (6%) respectively.

  2. ZnO nanorod growth by plasma-enhanced vapor phase transport with different growth durations

    SciTech Connect

    Kim, Chang-Yong; Oh, Hee-bong; Ryu, Hyukhyun; Yun, Jondo; Lee, Won-Jae

    2014-09-01

    In this study, the structural properties of ZnO nanostructures grown by plasma-enhanced vapor phase transport (PEVPT) were investigated. Plasma-treated oxygen gas was used as the oxygen source for the ZnO growth. The structural properties of ZnO nanostructures grown for different durations were measured by scanning electron microscopy, x-ray diffraction, and transmission electron microscopy. The authors comprehensively analyzed the growth of the ZnO nanostructures with different growth durations both with and without the use of plasma-treated oxygen gas. It was found that PEVPT has a significant influence on the growth of the ZnO nanorods. PEVPT with plasma-treated oxygen gas facilitated the generation of nucleation sites, and the resulting ZnO nanorod structures were more vertical than those prepared by conventional VPT without plasma-treated oxygen gas. As a result, the ZnO nanostructures grown using PEVPT showed improved structural properties compared to those prepared by the conventional VPT method.

  3. Quantum chemical calculations and analysis of FTIR, FT-Raman and UV-Vis spectra of temozolomide molecule

    NASA Astrophysics Data System (ADS)

    Bhat, Sheeraz Ahmad; Ahmad, Shabbir

    2015-11-01

    A combined experimental and theoretical study of the structure, vibrational and electronic spectra of temozolomide molecule, which is largely used in the treatment of brain tumours, is presented. FTIR (4000-400 cm-1) and FT-Raman spectra (4000‒50 cm-1) have been recorded and analysed using anharmonic frequency calculations using VPT2, VSCF and CC-VSCF levels of theory within B3LYP/6-311++G(d,p) framework. Anharmonic methods give accurate frequencies of fundamental modes, overtones as well as Fermi resonances and account for coupling of different modes. The anharmonic frequencies calculated using VPT2 and CC-VSCF methods show better agreement with the experimental data. Harmonic frequencies including solvent effects are also computed using IEF-PCM model. The magnitudes of coupling between pair of modes have been calculated using coupling integral based on 2MR-QFF approximation. Intermolecular interactions are discussed for three possible dimers of temozolomide. UV-Vis spectrum, examined in ethanol solvent, is compared with the calculated spectrum at TD-DFT/6-311++G(d,p) level of theory. The electronic properties, such as excitation energy, frontier molecular orbital energies and the assignments of the absorption bands are also discussed.

  4. Using Vapor Phase Tomography to Measure the Spatial Distribution of Vapor Concentrations and Flux for Vadose-zone VOC Sources

    PubMed Central

    Mainhagu, J.; Morrison, C.; Brusseau, M.L.

    2015-01-01

    A test was conducted at a chlorinated-solvent contaminated site in Tucson, AZ, to evaluate the effectiveness of vapor-phase tomography (VPT) for characterizing the distribution of volatile organic contaminants (VOC) in the vadose zone. A soil vapor extraction (SVE) system has been in operation at the site since 2007. Vapor concentration and vacuum pressure were measured at four different depths in each of four monitoring wells surrounding the extraction well. The test provided a 3D characterization of local vapor concentrations under induced-gradient conditions. Permeability data obtained from analysis of borehole logs were combined with the vapor-concentration data to determine VOC mass flux within the test domain. A region of higher mass flux was identified in the deepest interval of the S-SW section of the domain, indicating the possible location of a zone with greater contaminant mass. These results are consistent with the TCE-concentration distribution obtained from sediment coring conducted at the site. In contrast, the results of a standard soil gas survey did not indicate the presence of a zone with greater contaminant mass. These results indicate that the VPT test provided a robust characterization of VOC concentration and flux distribution at the site. PMID:25835545

  5. [Feeding habits of immature individuals of Ephemeroptera, Plecoptera, and Trichoptera from middle reaches of a tropical mountain stream].

    PubMed

    Guzmán-Soto, Cristian José; Tamarís-Turizo, Cesar Enrique

    2014-04-01

    Morphological and behavioral aspects of insects allow their grouping in trophic guilds and represent their dependence on food resources. We determined the feeding habits of immature organisms of Ephemeroptera, Plecoptera, and Trichoptera (EPT) from the middle reaches of Gaira stream (Sierra Nevada de Santa Marta, Colombia), using gut content analysis. We identified 13 EPT genera, but only ten were analyzed for a total of 100 organisms. We describe six food items: animal parts (AP), vascular plant tissue (VPT), microalgae (M), fungi (F), coarse particulate organic matter (CPOM) and fine particulate organic matter (FPOM). Baetodes was determined to be a collector-scraper, since FPOM represented 46.6% of food content, followed by F (38.4%). Chimarra, Leptohyphes, Lachlania, and Thraulodes were categorized as collectors with average proportions of FPOM 86.8%, 93.1%, 93.1% and 93.7%, respectively. Phylloicus, Smicridea and Leptonema were main consumers of VPT and CPOM with proportions of 76.3%, 54.6%, and 62.4%, respectively; while ratios of FPOM were 22.3%, 38.8%, and 32.9%, respectively. While all are detritivores, Phylloicus is functionally classified as shredders and Smicridea and Leptonema as collectors. Atopsyche and Anacroneuria were the only taxa in which AP were observed in high proportions, 57.9% and 58.2%, respectively, for that reason they were classified as predators. The organisms examined consume a wide variability of resources.

  6. Brain systems for visual perspective taking and action perception.

    PubMed

    Mazzarella, Elisabetta; Ramsey, Richard; Conson, Massimiliano; Hamilton, Antonia

    2013-01-01

    Taking another person's viewpoint and making sense of their actions are key processes that guide social behavior. Previous neuroimaging investigations have largely studied these processes separately. The current study used functional magnetic resonance imaging to examine how the brain incorporates another person's viewpoint and actions into visual perspective judgments. Participants made a left-right judgment about the location of a target object from their own (egocentric) or an actor's visual perspective (altercentric). Actor location varied around a table and the actor was either reaching or not reaching for the target object. Analyses examined brain regions engaged in the egocentric and altercentric tasks, brain regions where response magnitude tracked the orientation of the actor in the scene and brain regions sensitive to the action performed by the actor. The blood oxygen level-dependent (BOLD) response in dorsomedial prefrontal cortex (dmPFC) was sensitive to actor orientation in the altercentric task, whereas the response in right inferior frontal gyrus (IFG) was sensitive to actor orientation in the egocentric task. Thus, dmPFC and right IFG may play distinct but complementary roles in visual perspective taking (VPT). Observation of a reaching actor compared to a non-reaching actor yielded activation in lateral occipitotemporal cortex, regardless of task, showing that these regions are sensitive to body posture independent of social context. By considering how an observed actor's location and action influence the neural bases of visual perspective judgments, the current study supports the view that multiple neurocognitive "routes" operate during VPT.

  7. NerveCheck for the Detection of Sensory Loss and Neuropathic Pain in Diabetes

    PubMed Central

    Ponirakis, Georgios; Odriozola, Maria N.; Odriozola, Samantha; Petropoulos, Ioannis N.; Azmi, Shazli; Ferdousi, Maryam; Fadavi, Hassan; Alam, Uazman; Marshall, Andrew; Jeziorska, Maria; Miro, Anthony; Kheyami, Ahmad; Tavakoli, Mitra; Al-Ahmar, Ahmed; Odriozola, Maria B.; Odriozola, Ariel

    2016-01-01

    Abstract Background: Accurate and economic detection of nerve damage in diabetes is key to more widespread diagnosis of patients with diabetic peripheral neuropathy (DPN) and painful diabetic neuropathy. This study examined the diagnostic performance of NerveCheck, an inexpensive ($500) quantitative sensory testing (QST) device. Methods: One hundred forty-four subjects (74 with and 70 without diabetes) underwent assessment with NerveCheck, neuropathy disability score (NDS), nerve conduction studies (NCS), intraepidermal and corneal nerve fiber density (IENFD and CNFD), and McGill questionnaire for neuropathic pain. Results: Of the 74 subjects with diabetes, 41 were diagnosed with DPN based on the NDS. The NerveCheck scores for vibration perception threshold (VPT), cold perception threshold (CPT), and warm perception threshold (WPT) were significantly lower (P ≤ 0.0001) in diabetic patients with DPN compared to patients without DPN. The diagnostic accuracy of VPT was high with reference to NCS (area under the curve [AUC]: 82%–84%) and moderate for IENFD, CNFD, and neuropathic pain (AUC: 60%–76%). The diagnostic accuracy of CPT and WPT was moderate with reference to NCS, IENFD, and CNFD (AUC: 69%–78%) and low for neuropathic pain (AUC: 63%–65%). Conclusions: NerveCheck is a low-cost QST device with good diagnostic utility for identifying sensory deficits, comparable to established tests of large and small fiber neuropathy and for the severity of neuropathic pain. PMID:27922760

  8. Dysconnectivity of neurocognitive networks at rest in very-preterm born adults☆

    PubMed Central

    White, Thomas P.; Symington, Iona; Castellanos, Nazareth P.; Brittain, Philip J.; Froudist Walsh, Seán; Nam, Kie-Woo; Sato, João R.; Allin, Matthew P.G.; Shergill, Sukhi S.; Murray, Robin M.; Williams, Steve C.R.; Nosarti, Chiara

    2014-01-01

    Advances in neonatal medicine have resulted in a larger proportion of preterm-born individuals reaching adulthood. Their increased liability to psychiatric illness and impairments of cognition and behaviour intimate lasting cerebral consequences; however, the central physiological disturbances remain unclear. Of fundamental importance to efficient brain function is the coordination and contextually-relevant recruitment of neural networks. Large-scale distributed networks emerge perinatally and increase in hierarchical complexity through development. Preterm-born individuals exhibit systematic reductions in correlation strength within these networks during infancy. Here, we investigate resting-state functional connectivity in functional magnetic resonance imaging data from 29 very-preterm (VPT)-born adults and 23 term-born controls. Neurocognitive networks were identified with spatial independent component analysis conducted using the Infomax algorithm and employing Icasso procedures to enhance component robustness. Network spatial focus and spectral power were not generally significantly affected by preterm birth. By contrast, Granger-causality analysis of the time courses of network activity revealed widespread reductions in between-network connectivity in the preterm group, particularly along paths including salience-network features. The potential clinical relevance of these Granger-causal measurements was suggested by linear discriminant analysis of topological representations of connection strength, which classified individuals by group with a maximal accuracy of 86%. Functional connections from the striatal salience network to the posterior default mode network informed this classification most powerfully. In the VPT-born group it was additionally found that perinatal factors significantly moderated the relationship between executive function (which was reduced in the VPT-born as compared with the term-born group) and generalised partial directed coherence

  9. Structural investigation of thermo-responsive poly(2-isopropyl-2-oxazoline) hydrogel across the volume phase transition.

    PubMed

    Li, Tianjiao; Tang, Hui; Wu, Peiyi

    2015-03-14

    The deswelling and swelling behaviors of poly(2-isopropyl-2-oxazoline)-based hydrogel synthesized by a one-pot microwave-assisted solvent-free reaction were investigated. A distinct hydrophobic collapse of the hydrogel compared with the corresponding aqueous solution was observed by FT-IR spectroscopy combined with two-dimensional correlation spectroscopy (2DCOS) and perturbation-correlation moving-window (PCMW) analyses. The volume phase transition (VPT) temperature of 35 °C during heating and the transition temperature range of 41-30 °C during cooling were determined, indicating different dynamic transition mechanisms during heating and cooling. Water expulsion starting from the benzene ring-centered hydrophobic spots to the surroundings was revealed during deswelling. However, during swelling, although the rebuilding of cross-linking hydrogen bond bridges provided a channel-like microstructure to reswell the hydrogel gradually, a slow, unusual recovery of the amide hydrogen bonds to water molecules was observed.

  10. Fully anharmonic IR and Raman spectra of medium-size molecular systems: accuracy and interpretation†

    PubMed Central

    Barone, Vincenzo; Biczysko, Malgorzata; Bloino, Julien

    2015-01-01

    Computation of full infrared (IR) and Raman spectra (including absolute intensities and transition energies) for medium- and large-sized molecular systems beyond the harmonic approximation is one of the most interesting challenges of contemporary computational chemistry. Contrary to common beliefs, low-order perturbation theory is able to deliver results of high accuracy (actually often better than those issuing from current direct dynamics approaches) provided that anharmonic resonances are properly managed. This perspective sketches the recent developments in our research group toward the development a robust and user-friendly virtual spectrometer rooted into the second-order vibrational perturbation theory (VPT2) and usable also by non-specialists essentially as a black-box procedure. Several examples are explicitly worked out in order to illustrate the features of our computational tool together with the most important ongoing developments. PMID:24346191

  11. Molecular structure and vibrational analysis of 5-nitro-6-methyluracil molecule based on monomer, dimer and trimer calculations

    NASA Astrophysics Data System (ADS)

    Alam, M. J.; Bhat, S. A.; Ahmad, S.

    2016-05-01

    Molecular structure and vibrational spectra of 5-nitro-6-methyluracil molecule have been studied by the simulation of its monomer, dimer and trimer forms using DFT and MP2 methods with 6-311G(d,p) basis set. Anharmonic force field calculations have been carried out for the isolated monomer, while the calculations on dimer and trimer have been done in the harmonic approximation. An accurate numerical integration grid has been used for geometry optimization as well as frequency calculation. Anharmonic vibrational frequencies have been computed using VPT2 algorithm (Barone's method) as well as VSCF and VSCF-PT2 approaches. These methods yield results that are in remarkable agreement with the experiment. The coupling strengths between pair of modes have been also calculated using coupling integral based on 2MR-QFF approximation. The vibrational assignments have been made with the help of potential energy distribution values and animated modes.

  12. Genetic regulation of human immunodeficiency virus.

    PubMed Central

    Steffy, K; Wong-Staal, F

    1991-01-01

    Human immunodeficiency virus (HIV) has a complex life cycle in which both cellular and virus-encoded factors participate to determine the level of virus production. Two of the viral genes, tat and rev, are essential for virus replication and encode novel trans-activators that interact specifically with their cognate RNA target elements. Elucidation of their mechanisms of action is likely to expand our knowledge of gene regulation at transcriptional and posttranscriptional levels in the eukaryotic cell. Several viral genes (vif, vpu, and vpr) facilitate virus infection and/or release and may play a role in target cell tropism and infection in vivo. The functions of yet other viral genes (nef, vpt) remain unclear. Recent data also suggest that the tat gene product may have a role in HIV pathogenesis that goes beyond trans-activating virus expression. It can potentially impact on uninfected cells as a diffusible molecule and alter the growth of different cell types. PMID:1886517

  13. Optical Sensor Based on a Single CdS Nanobelt

    PubMed Central

    Li, Lei; Yang, Shuming; Han, Feng; Wang, Liangjun; Zhang, Xiaotong; Jiang, Zhuangde; Pan, Anlian

    2014-01-01

    In this paper, an optical sensor based on a cadmium sulfide (CdS) nanobelt has been developed. The CdS nanobelt was synthesized by the vapor phase transportation (VPT) method. X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM) results revealed that the nanobelt had a hexagonal wurtzite structure of CdS and presented good crystal quality. A single nanobelt Schottky contact optical sensor was fabricated by the electron beam lithography (EBL) technique, and the device current-voltage results showed back-to-back Schottky diode characteristics. The photosensitivity, dark current and the decay time of the sensor were 4 × 104, 31 ms and 0.2 pA, respectively. The high photosensitivity and the short decay time were because of the exponential dependence of photocurrent on the number of the surface charges and the configuration of the back to back Schottky junctions. PMID:24763211

  14. UV light sensing properties of Sm doped vertically aligned ZnO nanorod arrays

    SciTech Connect

    Kumar, D. Ranjith; Ranjith, K. S.; Rajendrakumar, R. T.

    2015-06-24

    Samarium doped ZnO nanorods were grown on silicon substrate by using vapor phase transport method (VPT) with the growth temperature of 950°C. The synthesized nanorods were characterized by XRD, field emission scanning electron microscopy, Raman spectra, and photocurrent measurements. The XRD result revealed that Sm was successfully doped into lattice plane of hexagonal ZnO nanorods. The FESEM result confirms the pure ZnO has nanorod like morphology with an average diameter and length of 130nm and 10µm respectively. The above observation is supported by the Micro-Raman spectroscopy result. The photocurrent in the visible region has been significantly enhanced due to deposition of Sm on the surface of the ZnO nanorods. Sm acts as a visible sensitizer because of its lower band gap compared to ZnO.

  15. Optical sensor based on a single CdS nanobelt.

    PubMed

    Li, Lei; Yang, Shuming; Han, Feng; Wang, Liangjun; Zhang, Xiaotong; Jiang, Zhuangde; Pan, Anlian

    2014-04-23

    In this paper, an optical sensor based on a cadmium sulfide (CdS) nanobelt has been developed. The CdS nanobelt was synthesized by the vapor phase transportation (VPT) method. X-Ray Diffraction (XRD) and Transmission Electron Microscopy (TEM) results revealed that the nanobelt had a hexagonal wurtzite structure of CdS and presented good crystal quality. A single nanobelt Schottky contact optical sensor was fabricated by the electron beam lithography (EBL) technique, and the device current-voltage results showed back-to-back Schottky diode characteristics. The photosensitivity, dark current and the decay time of the sensor were 4 × 10⁴, 31 ms and 0.2 pA, respectively. The high photosensitivity and the short decay time were because of the exponential dependence of photocurrent on the number of the surface charges and the configuration of the back to back Schottky junctions.

  16. Optical Properties of ZnO Soccer-Ball Structures Grown by Vapor Phase Transport

    NASA Astrophysics Data System (ADS)

    Nam, Giwoong; Lee, Sang-heon; Kim, Soaram; Kim, Min Su; Kim, Do Yeob; Gug Yim, Kwang; Lee, Dong-Yul; Kim, Jin Soo; Kim, Jong Su; Son, Jeong-Sik; Kim, Sung-O.; Jung, Jae Hak; Leem, Jae-Young

    2012-02-01

    ZnO soccer balls were grown on an Au-catalyzed Si(100) substrate by vapor phase transport (VPT) with a mixture of zinc oxide and graphite powders. Temperature-dependent PL was carried out to investigate the mechanism governing the quenching behavior of the PL spectra. From the PL spectra of the ZnO soccer balls at 10 K, several PL peaks were observed at 3.365, 3.318, 3.249, and 3.183 eV corresponding to excitons bound to neutral donors (DoX), a donor-acceptor pair (DAP), first-order longitudinal optical phonon replica of donor-acceptor pair (DAP-1LO), and DAP-2LO, respectively. The mixed system composed of the free exciton (FX) and DoX and the DAP radiative lifetimes were estimated with a theoretical relation between the lifetime and the spectral width. The exciton radiative lifetimes were observed to increase linearly with temperature.

  17. A new Gaussian MCTDH program : implementation and validation on the levels of the water and glycine molecules

    PubMed Central

    Skouteris, D.; Barone, V.

    2015-01-01

    We report the main features of a new general implementation of the Gaussian Multi-Configuration Time-Dependent Hartree (G-MCTDH) model. The code allows effective computations of time-dependent phenomena, including calculation of vibronic spectra (in one or more electronic states), relative state populations etc. Moreover, by expressing the Dirac-Frenkel variational principle in terms of an effective Hamiltonian we are able to provide a new reliable estimate of the representation error. After validating the code on simple one-dimensional systems, we analyze the harmonic and anharmonic vibrational spectra of water and glycine showing that reliable and converged energy levels can be obtained with reasonable computing resources. The data obtained on water and glycine are compared with results of previous calculations using the vibrational second-order perturbation theory (VPT2) method. Additional features and perspectives are also shortly discussed. PMID:24985615

  18. Phosphate Uptake and Allocation – A Closer Look at Arabidopsis thaliana L. and Oryza sativa L.

    PubMed Central

    Młodzińska, Ewa; Zboińska, Magdalena

    2016-01-01

    This year marks the 20th anniversary of the discovery and characterization of the two Arabidopsis PHT1 genes encoding the phosphate transporter in Arabidopsis thaliana. So far, multiple inorganic phosphate (Pi) transporters have been described, and the molecular basis of Pi acquisition by plants has been well-characterized. These genes are involved in Pi acquisition, allocation, and/or signal transduction. This review summarizes how Pi is taken up by the roots and further distributed within two plants: A. thaliana and Oryza sativa L. by plasma membrane phosphate transporters PHT1 and PHO1 as well as by intracellular transporters: PHO1, PHT2, PHT3, PHT4, PHT5 (VPT1), SPX-MFS and phosphate translocators family. We also describe the role of the PHT1 transporters in mycorrhizal roots of rice as an adaptive strategy to cope with limited phosphate availability in soil. PMID:27574525

  19. Thresholds of skin sensitivity are partially influenced by mechanical properties of the skin on the foot sole

    PubMed Central

    Strzalkowski, Nicholas D J; Triano, John J; Lam, Chris K; Templeton, Cale A; Bent, Leah R

    2015-01-01

    Across the foot sole, there are vibration and monofilament sensory differences despite an alleged even distribution of cutaneous afferents. Mechanical property differences across foot sole sites have been proposed to account for these differences. Vibration (VPT; 3 Hz, 40 Hz, 250 Hz), and monofilament (MF) perception threshold measurements were compared with skin hardness, epidermal thickness, and stretch response across five foot sole locations in young healthy adults (n = 22). Perceptual thresholds were expected to correlate with all mechanical property measurements to help address sensitivity differences between sites. Following this hypothesis, the MedArch was consistently found to be the thinnest and softest site and demonstrated the greatest sensitivity. Conversely, the Heel was found to be the thickest and hardest site, and was relatively insensitive across perceptual tests. Site differences were not observed for epidermal stretch response measures. Despite an apparent trend of elevated sensory threshold at harder and thicker sites, significant correlations between sensitivity measures and skin mechanical properties were not observed. Skin hardness and epidermal thickness appeared to have a negligible influence on VPT and minor influence on MF within this young healthy population. When normalized (% greater or smaller than subject mean) to the subject mean for each variable, significant positive correlations were observed between MF and skin hardness (R2 = 0.422, P < 0.0001) and epidermal thickness (R2 = 0.433, P < 0.0001) providing evidence that skin mechanics can influence MF threshold. In young healthy adults, differences in sensitivity are present across the foot sole, but cannot solely be accounted for by differences in the mechanical properties of the skin. PMID:26059035

  20. D0 Silicon Upgrade: Vapor Pressure Thermometry System Near LN2 Subcooler

    SciTech Connect

    Kuwazaki, Andrew; /Fermilab

    1996-07-01

    Fermi National Accelerator Laboratory (Fermilab) is in the process of upgrading its detectors. Among these upgrades is the need for more transfer lines containing both liquid nitrogen and helium gas. These two fluids are used to provide the necessary operating cryogenic temperatures for the various detectors, such as the Visible Light Photon Counter (VLPC) and the solenoid inside the detector's calorimeter. With additional piping, it is important to monitor the temperatures to assure that the detectors can operate correctly. This can be done two ways. The first method is to use a Resistance Temperature Device, called a RTD, which is made using either a carbon resistor or a platinum resistor and measures the temperature based on resistance. The second method is to use a vapor-pressure thermometry system. This design will focus on the second method. A nitrogen Vapor Pressure Thermometer (VPT) system is designed to determine the temperature of the liquid nitrogen (LN{sub 2}) supply line, after exiting the LN{sub 2} subcooler, inside the D-Zero Assembly Hall. The operating temperature range is designed from 77 to 300 Kelvin with an initial charge pressure of 100 psia. A cylindrical bulb with a 0.1875-inch diameter and 0.625-inch length allows for minimum cold and warm 1/4-inch O.D. SS 304L tubing lengths, 12-inch and 18-inch respectively, and maintains a liquid level of 50% inside the bulb during cold operation. The amount of nitrogen needed to fill the cylindrical bulb approximately half full is 0.149 grams. In order to conform to the conventional cold volume and warm volume VPT systems, we need to enlarge the existing 1/2-inch x 2-inch SCH. 10 LN{sub 2} supply line over a one foot section to 1-inch x 3-inch SCH. 10 piping.

  1. Realizations of the ITS-90 below 24.5561 K at NMIJ/AIST

    NASA Astrophysics Data System (ADS)

    Tamura, O.; Nakano, T.; Shimazaki, T.; Takasu, S.

    2013-09-01

    The International Temperature Scale of 1990 (ITS-90) down to its defined minimum temperature of 0.65 K has been realized at the National Metrology Institute of Japan (NMIJ), using a 3He vapor pressure thermometer (VPT) from 0.65 K to 3.2 K, a 4He VPT from 2.2 K to 4.2 K, an interpolating constant-volume gas thermometer (ICVGT) from 3 K to 24.5561 K and standard platinum resistance thermometers (SPRTs) above 13.8803 K. The scales realized by these different thermometers in the overlapped temperature ranges differ among each other. These differences, also known as the non-uniqueness of the ITS-90, are estimated and reported in this paper. The difference between the scales of the SPRTs and ICVGT has a maximum of about 0.6 mK at temperatures close to 15 K, though it is about half of the propagation of the calibration uncertainties of the SPRT at the fixed points. The difference between the vapor pressure scales of 4He and 3He shows temperature dependence, which is consistent with that reported previously and has a maximum of about 0.2 mK at temperatures close to 3.1 K. The differences between the ICVGT scales with different lowest calibration temperatures are also estimated. The difference between the ICVGT scales with or without corrections for the aerostatic pressure head, the dead-space volume effect and the thermomolecular pressure difference has a maximum of about 0.17 mK.

  2. The utility of affinity-tags for detection of a streptococcal protein from a variety of streptococcal species

    PubMed Central

    Zhou, Meixian; Fives-Taylor, Paula; Wu, Hui

    2008-01-01

    There is no systematic examination of affinity tag utility in Gram-positive bacteria, which limits the investigation of protein function in this important group of bacteria as specific antibodies for many of native proteins are generally not available. In this study, we utilized an E. coli-streptococcal shuttle vector pVT1666 and constructed two sets of expression plasmids pVPT-CTag and pVPT-NTag, with each set containing five affinity tags (GST, GFP, HSV, T7 and Nano) that can be fused to either the C- or N-terminus of a target protein. A putative glycosyltransferase (Gtf2) essential for Fap1 glycosylation was used to demonstrate the utility of the cassettes in detection of Gtf2 fusion proteins, and the biological relevance of the proteins in our working strain Streptococcus parasanguinis. GFP and T7 tags were readily expressed in S. parasanguinis as either an N- or C-terminal fusion to Gtf2. Only the C- terminal fusion of GST and HSV were able to be identified in S. parasanguinis. The Nano tag was not detected in either E. coli or S. parasanguinis. Genetic complementation experiments indicated that all the tagged Gtf2 fusion proteins could restore the Gtf2 function in the null mutant except for the Nano-tagged Gtf2 at its N-terminal fusion. Using a T7-tagged Gtf2 fusion construct, we demonstrated that the fusion cassette is also useful in detection of the fusion tag expression in other streptococci including S. mutans, S. pneumoniae and S. sanguinis. Therefore, the expression cassettes we constructed will be a useful tool not only to investigate protein-protein interactions in Fap1 biogenesis in S. parasanguinis, but also to study protein functions in other gram-positive bacteria in which pVT1666 replicates. PMID:18201786

  3. Realizations of the ITS-90 below 24.5561 K at NMIJ/AIST

    SciTech Connect

    Tamura, O.; Nakano, T.; Shimazaki, T.; Takasu, S.

    2013-09-11

    The International Temperature Scale of 1990 (ITS-90) down to its defined minimum temperature of 0.65 K has been realized at the National Metrology Institute of Japan (NMIJ), using a {sup 3}He vapor pressure thermometer (VPT) from 0.65 K to 3.2 K, a {sup 4}He VPT from 2.2 K to 4.2 K, an interpolating constant-volume gas thermometer (ICVGT) from 3 K to 24.5561 K and standard platinum resistance thermometers (SPRTs) above 13.8803 K. The scales realized by these different thermometers in the overlapped temperature ranges differ among each other. These differences, also known as the non-uniqueness of the ITS-90, are estimated and reported in this paper. The difference between the scales of the SPRTs and ICVGT has a maximum of about 0.6 mK at temperatures close to 15 K, though it is about half of the propagation of the calibration uncertainties of the SPRT at the fixed points. The difference between the vapor pressure scales of {sup 4}He and {sup 3}He shows temperature dependence, which is consistent with that reported previously and has a maximum of about 0.2 mK at temperatures close to 3.1 K. The differences between the ICVGT scales with different lowest calibration temperatures are also estimated. The difference between the ICVGT scales with or without corrections for the aerostatic pressure head, the dead-space volume effect and the thermomolecular pressure difference has a maximum of about 0.17 mK.

  4. Validation of the nerve axon reflex for the assessment of small nerve fibre dysfunction

    PubMed Central

    Caselli, A; Spallone, V; Marfia, G A; Battista, C; Pachatz, C; Veves, A; Uccioli, L

    2006-01-01

    Objective To validate nerve–axon reflex‐related vasodilatation as an objective method to evaluate C‐nociceptive fibre function by comparing it with the standard diagnostic criteria. Methods Neuropathy was evaluated in 41 patients with diabetes (26 men and 15 women) without peripheral vascular disease by assessing the Neuropathy Symptom Score, the Neuropathy Disability Score (NDS), the vibration perception threshold (VPT), the heat detection threshold (HDT), nerve conduction parameters and standard cardiovascular tests. The neurovascular response to 1% acetylcholine (Ach) iontophoresis was measured at the forearm and at both feet by laser flowmetry. An age‐matched and sex‐matched control group of 10 healthy people was also included. Results Significant correlations were observed between the neurovascular response at the foot and HDT (rs = −0.658; p<0.0001), NDS (rs = −0.665; p<0.0001), VPT (rs = −0.548; p = 0.0005), tibial nerve conduction velocity (rs = 0.631; p = 0.0002), sural nerve amplitude (rs = 0.581; p = 0.0002) and autonomic function tests. According to the NDS, in patients with diabetes who had mild, moderate or severe neuropathy, a significantly lower neurovascular response was seen at the foot than in patients without neuropathy and controls. A neurovascular response <50% was found to be highly sensitive (90%), with a good specificity (74%), in identifying patients with diabetic neuropathy. Conclusion Small‐fibre dysfunction can be diagnosed reliably with neurovascular response assessment. This response is already reduced in the early stages of peripheral neuropathy, supporting the hypothesis that small‐fibre impairment is an early event in the natural history of diabetic neuropathy. PMID:16624842

  5. Premature delivery influences the immunological composition of colostrum and transitional and mature human milk.

    PubMed

    Castellote, Cristina; Casillas, Rosario; Ramírez-Santana, Carolina; Pérez-Cano, Francisco J; Castell, Margarida; Moretones, M Glòria; López-Sabater, M Carmen; Franch, Angels

    2011-06-01

    Human breast milk is the ideal nutrition for the newborn, and in addition to its nutritional contribution, necessary for infant growth and development, it contains various immune bioactive factors that confer some of the numerous beneficial effects of breastfeeding. The current study analyzed the concentrations of IgA, growth factors such as epidermal growth factor (EGF), TGFβ1, and TGFβ2, cytokines IL-6, IL-8, IL-10, IL-13, and TNFα, and TNF-receptor I (TNF-RI) in colostrum and transitional and mature milk from mothers with mature, premature, and very premature infants. Human milk samples were collected from mothers delivering at term (T), preterm (PT), and very preterm (VPT). Milk from all the mothers was collected at 3 different time points after delivery corresponding to colostrum and transitional and mature milk. After obtaining milk whey, IgA, EGF, TGFβ1, and TGFβ2 were determined by ELISA and IL-6, IL-8, IL-10, IL-13, TNFα and TNF-RI by cytometric bead array immunoassay. The colostrum of the PT group was extremely rich in most of the factors studied, but higher concentrations than in the T group were only found for IL-6 (P = 0.051), TGFβ1, and TGFβ2 (P < 0.05). Conversely, the colostrum of the VPT group had lower concentrations of IgA, IL-8, IL-10, and TNFα than those in the T group (P < 0.05). Results suggest that maternal lactogenic compensatory mechanisms accelerating the development of immature breast-fed preterm infants may take effect only after wk 30 of gestation.

  6. Effectiveness and Comparison of Various Audio Distraction Aids in Management of Anxious Dental Paediatric Patients

    PubMed Central

    Johri, Nikita; Khan, Suleman Abbas; Singh, Rahul Kumar; Chadha, Dheera; Navit, Pragati; Sharma, Anshul; Bahuguna, Rachana

    2015-01-01

    Background Dental anxiety is a widespread phenomenon and a concern for paediatric dentistry. The inability of children to deal with threatening dental stimuli often manifests as behaviour management problems. Nowadays, the use of non-aversive behaviour management techniques is more advocated, which are more acceptable to parents, patients and practitioners. Therefore, this present study was conducted to find out which audio aid was the most effective in the managing anxious children. Aims and Objectives The aim of the present study was to compare the efficacy of audio-distraction aids in reducing the anxiety of paediatric patients while undergoing various stressful and invasive dental procedures. The objectives were to ascertain whether audio distraction is an effective means of anxiety management and which type of audio aid is the most effective. Materials and Methods A total number of 150 children, aged between 6 to 12 years, randomly selected amongst the patients who came for their first dental check-up, were placed in five groups of 30 each. These groups were the control group, the instrumental music group, the musical nursery rhymes group, the movie songs group and the audio stories group. The control group was treated under normal set-up & audio group listened to various audio presentations during treatment. Each child had four visits. In each visit, after the procedures was completed, the anxiety levels of the children were measured by the Venham’s Picture Test (VPT), Venham’s Clinical Rating Scale (VCRS) and pulse rate measurement with the help of pulse oximeter. Results A significant difference was seen between all the groups for the mean pulse rate, with an increase in subsequent visit. However, no significant difference was seen in the VPT & VCRS scores between all the groups. Audio aids in general reduced anxiety in comparison to the control group, and the most significant reduction in anxiety level was observed in the audio stories group

  7. Random hcp and fcc structures in thermoresponsive microgel crystals.

    PubMed

    Brijitta, J; Tata, B V R; Joshi, R G; Kaliyappan, T

    2009-08-21

    Monodisperse thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) microgel particles having a diameter of 520 nm were synthesized by free-radical precipitation polymerization and centrifuged to obtain a concentrated suspension. The centrifuged mother suspension was made to self-order into a crystalline state by repeated annealing beyond the volume phase transition (VPT) of the particles. We report here the three-dimensional (3D) real space structure, determined using a confocal laser scanning microscope, of PNIPAM microgel crystal samples prepared by two different recrystallized routes: (1) solidifying a shear melted colloidal liquid (referred as as-prepared sample) and (2) slow cooling of a colloidal liquid (referred as recrystallized sample). We have recorded images of several regions of the crystal with each region containing 15 horizontal crystal planes for determining the in-plane [two-dimensional (2D)] and 3D pair-correlation functions. The 2D pair-correlation function g(r) revealed hexagonal long-range order of particles in the layers with a lattice constant of 620 nm. The analysis of stacking sequence of layers recorded on as-prepared sample has revealed the existence of stacking disorder with an average stacking probability alpha approximately 0.42. This value of alpha together with the analysis of 3D pair-correlation function determined from particle positions revealed the structure of microgel crystals in the as-prepared sample to be random hexagonal close packing. We report the first observation of a split second peak in the 3D g(r) of the microgel crystals obtained from a shear melted liquid. Upon melting the sample above VPT and recrystallizing it the split second peak disappeared and the crystals are found to have a face centered cubic (fcc) structure with alpha approximately 0.95. From simulations, the split second peak is shown to arise from the displacement of some of the B-planes from the ideal hcp positions. The present results are discussed in

  8. Lifetime Performance Studies on Vacuum Photo-Triodes in the ECAL at CMS

    NASA Astrophysics Data System (ADS)

    Wood, John

    2011-10-01

    The electromagnetic calorimeter (ECAL) is a crucial sub-detector of the Compact Muon Solenoid (CMS) at the Large Hadron Collider (LHC). It uses scintillation light fr om approximately 83,000 Lead Tungstate (PbWO4) crystals to make precision measurements of high energy photons and electrons. In the endcaps of the ECAL this scinti llation light is collected at the rear of the crystal and converted to an analog electric current with radiation hard, single stage photmultipliers known as Vacuum Pho to-Triodes (VPTs). The response of the VPTs is dependent on several effects including orientation within the magnetic field, calibration and scintillation light expos ure rates, and time between successive exposures. The High Energy Physics group at the University of Virginia (UVa) uses a 3.8 T large-bore superconducting solenoid m agnet to simulate conditions at the LHC and to study the long term behavior of these VPTs under various light and magnetic field conditions. Also, using the ECAL lase r and LED calibration system, UVa is also able to study the response of the VPTs in situ at the CMS detector in order to understand and quantitatively assess the perfo rmance of the VPTs over time. Herein we will report on these remote and in-situ studies of VPT characteristics and performance.

  9. Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems

    PubMed Central

    Piccardo, Matteo; Bloino, Julien; Barone, Vincenzo

    2015-01-01

    Models going beyond the rigid-rotor and the harmonic oscillator levels are mandatory for providing accurate theoretical predictions for several spectroscopic properties. Different strategies have been devised for this purpose. Among them, the treatment by perturbation theory of the molecular Hamiltonian after its expansion in power series of products of vibrational and rotational operators, also referred to as vibrational perturbation theory (VPT), is particularly appealing for its computational efficiency to treat medium-to-large systems. Moreover, generalized (GVPT) strategies combining the use of perturbative and variational formalisms can be adopted to further improve the accuracy of the results, with the first approach used for weakly coupled terms, and the second one to handle tightly coupled ones. In this context, the GVPT formulation for asymmetric, symmetric, and linear tops is revisited and fully generalized to both minima and first-order saddle points of the molecular potential energy surface. The computational strategies and approximations that can be adopted in dealing with GVPT computations are pointed out, with a particular attention devoted to the treatment of symmetry and degeneracies. A number of tests and applications are discussed, to show the possibilities of the developments, as regards both the variety of treatable systems and eligible methods. © 2015 Wiley Periodicals, Inc. PMID:26345131

  10. Microstructure of Hydrophobically Modified Alkyl Acrylamide Hydrogels

    NASA Astrophysics Data System (ADS)

    Tian, Jun; Seery, Thomas A. P.; Ho, Derek L.; Weiss, R. A.

    2004-03-01

    Hydrophobically modified water-soluble acrylamide polymers have a variety of applications, including viscosity thickeners, microencapsulation, biosensors and controlled drug delivery systems. The microstructure of copolymer hydrogels of N,N-dimethylacrylamide (DMA) or N-isopropylacrylamide(NIPA) modified with 2-(N-ethylfluorooctanesulfonamido)ethyl acrylate, FOSA, was studied by small angle x-ray (SAXS) and neutron scattering (SANS). Swelling and DSC measurements showed that FOSA/NIPA gels exhibited a volume phase transition (VPT), but that FOSA/DMA gels did not. A modified interacting core-shell model was used to explain the SAXS and SANS data for both gels. The crosslink junctions of the gel consisted of nanophase-separated FOSA domains as the core surrounded by a water-poor layer of the alkyl acrylamide. These nanodomains were dispersed in a matrix of water-swollen alkyl acrylamide that had large scale heterogeneities. The average spherical core radius ranged from 1 to 3 nm and the average shell thickness ranged from 1 to 1.5 nm; the aggregation number ranged from 10 to 200.

  11. Enhanced photoluminescence and Raman properties of Al-Doped ZnO nanostructures prepared using thermal chemical vapor deposition of methanol assisted with heated brass.

    PubMed

    Thandavan, Tamil Many K; Gani, Siti Meriam Abdul; San Wong, Chiow; Md Nor, Roslan

    2015-01-01

    Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs.

  12. Structural and biological evaluation of some metal complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone

    NASA Astrophysics Data System (ADS)

    Yousef, T. A.; Abu El-Reash, G. M.; Al-Jahdali, M.; El-Rakhawy, El-Bastawesy R.

    2013-12-01

    The synthesis and characterization of Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) and U(VI)O2 complexes of vanillin-4N-(2-pyridyl) thiosemicarbazone (H2PVT) are reported. Theoretical calculations have been performed to obtain IR spectra of ligand and its complexes using AM1, Zindo/1, MM+ and PM3, methods. The Schiff base and its metal complexes have been screened for antibacterial Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis and Staphylococcus saprophyticus. H2VPT shows no apparent digestion effect on the egg albumin while Mn(II), Hg(II) and Cu(II) complexes exhibited a considerable digestion effect following the order Cu(II) > Mn(II) > Hg(II). Moreover, Ni(II) and Co(II) complexes revealed strong digestion effect. Fe(II), Mn(II), Cu(II), Zn(II) and Ni(II) acted as metal co- SOD enzyme factors, which are located in different compartments of the cell.

  13. The Role of Anharmonicity in Hydrogen-Bonded Systems: The Case of Water Clusters.

    PubMed

    Temelso, Berhane; Shields, George C

    2011-09-13

    The nature of vibrational anharmonicity has been examined for the case of small water clusters using second-order vibrational perturbation theory (VPT2) applied on second-order Møller-Plesset perturbation theory (MP2) potential energy surfaces. Using a training set of 16 water clusters (H2O)n=2-6,8,9 with a total of 723 vibrational modes, we determined scaling factors that map the harmonic frequencies onto anharmonic ones. The intermolecular modes were found to be substantially more anharmonic than intramolecular bending and stretching modes. Due to the varying levels of anharmonicity of the intermolecular and intramolecular modes, different frequency scaling factors for each region were necessary to achieve the highest accuracy. Furthermore, new scaling factors for zero-point vibrational energies (ZPVE) and vibrational corrections to the enthalpy (ΔHvib) and the entropy (Svib) have been determined. All the scaling factors reported in this study are different from previous works in that they are intended for hydrogen-bonded systems, while others were built using experimental frequencies of covalently bonded systems. An application of our scaling factors to the vibrational frequencies of water dimer and thermodynamic functions of 11 larger water clusters highlights the importance of anharmonic effects in hydrogen-bonded systems.

  14. Vibrational-Torsional Coupling Revealed in the Infrared Spectrum of He-Solvated n-PROPYL Radical

    NASA Astrophysics Data System (ADS)

    Moradi, Christopher P.; Broderick, Bernadette M.; Agarwal, Jay; Schaefer, Henry F., III.; Douberly, Gary E.

    2015-06-01

    The n-propyl and i-propyl radicals were generated in the gas phase via pyrolysis of n-butyl nitrite (CH3(CH2)3ONO) and i-butyl nitrite (CH3CH(CH3)CH2ONO) precursors, respectively. Nascent radicals were promptly solvated by a beam of He nanodroplets, and the infrared spectra of the radicals were recorded in the C-H stretching region. In addition to three vibrations of n-propyl previously measured in an Ar matrix, we observe many unreported bands between 2800 and 3150 wn, which we attribute to propyl radicals. The C-H stretching modes observed above 2960 wn for both radicals are in excellent agreement with anharmonic frequencies computed using VPT2. Between 2800 and 2960 wn, however, the spectra of n-propyl and i-propyl radicals become quite congested and difficult to assign due to the presence of multiple anharmonic resonances. Computations reveal the likely origin of the spectral congestion to be strong coupling between the high frequency C-H stretching modes and a lower frequency torsional motion, which modulates quite substantially a through-space hyperconjugation interaction. Pacansky, et. al., J. Phys. Chem. 1977, 81, 2149.

  15. Infrared Laser Spectroscopy of the n-PROPYL and i-PROPYL Radicals in Helium Droplets: Significant Bend-Stretch Coupling Revealed in the CH Stretch Region

    NASA Astrophysics Data System (ADS)

    Moradi, Christopher P.; Douberly, Gary E.; Tabor, Daniel P.; Sibert, Edwin

    2016-06-01

    The n-propyl and i-propyl radicals were generated in the gas phase via pyrolysis of n-butyl nitrite (CH3(CH2)3ONO) and i-butyl nitrite (CH3CH(CH3)CH2ONO) precursors, respectively. Nascent radicals were promptly solvated by a beam of He nanodroplets, and the infrared spectra of the radicals were recorded in the C-H stretching region. In addition to three vibrations of n-propyl previously measured in an Ar matrix, we observe many unreported bands between 2800 and 3150 wn, which we attribute to propyl radicals. The C-H stretching modes observed above 2960 wn for both radicals are in excellent agreement with anharmonic frequencies computed using VPT2. Between 2800 and 2960 wn, however, the spectra of n-propyl and i-propyl radicals become quite congested and difficult to assign due to the presence of multiple anharmonic resonances. Computations employing a local mode Hamiltonian reveal the origin of the spectral congestion to be strong coupling between the high frequency C-H stretching modes and the lower frequency bending/scissoring motions. The only significant local coupling is between stretches and bends on the same CH2/CH3 group.

  16. Anharmonic Vibrational Analysis for the Propadienylidene Molecule (H2C═C═C:).

    PubMed

    Wu, Qunyan; Hao, Qiang; Wilke, Jeremiah J; Simmonett, Andrew C; Yamaguchi, Yukio; Li, Qianshu; Fang, De-Cai; Schaefer, Henry F

    2010-10-12

    Maier et al. found that photolysis of singlet cyclopropenylidene (1S) in a matrix yields triplet propargylene (2T), which upon further irradiation is converted to singlet propadienylidene (vinylidenecarbene, 3S). Their discovery was followed by interstellar identification of 3S by Cernicharo et al. An accurate quartic force field for propadienylidene (3S) has been determined employing the ab initio coupled-cluster (CC) with single and double excitations and perturbative triple excitations [CCSD(T)] method and the correlation-consistent core-valence quadruple-ζ (cc-pCVQZ) basis set. Utilizing vibrational second-order perturbation theory (VPT2), vibration-rotation coupling constants, rotational constants, centrifugal distortion constants, vibrational anharmonic constants, and fundamental vibrational frequencies are determined. The predicted fundamental frequencies for 3S as well as its (13)C and deuterium isotopologues are in good agreement with experimental values. The theoretical zero-point vibration corrected rotational constants B0 are consistent with experimental values within 0.3% of errors. The isotopic shifts of B0 are in close to exact agreement with experimental observations. The mean absolute deviation between theoretical anharmonic and experimental fundamental vibrational frequencies for 24 modes (excluding CH2 s-str.) is only 2.6 cm(-1). The isotopic shifts of the vibrational frequencies are also in excellent agreement with the available experimental values. However, a large discrepancy is observed for the CH2 symmetric stretch, casting doubt on the experimental assignment for this mode.

  17. Identification of plant vacuolar transporters mediating phosphate storage

    PubMed Central

    Liu, Tzu-Yin; Huang, Teng-Kuei; Yang, Shu-Yi; Hong, Yu-Ting; Huang, Sheng-Min; Wang, Fu-Nien; Chiang, Su-Fen; Tsai, Shang-Yueh; Lu, Wen-Chien; Chiou, Tzyy-Jen

    2016-01-01

    Plant vacuoles serve as the primary intracellular compartments for inorganic phosphate (Pi) storage. Passage of Pi across vacuolar membranes plays a critical role in buffering the cytoplasmic Pi level against fluctuations of external Pi and metabolic activities. Here we demonstrate that the SPX-MFS proteins, designated as PHOSPHATE TRANSPORTER 5 family (PHT5), also named Vacuolar Phosphate Transporter (VPT), function as vacuolar Pi transporters. Based on 31P-magnetic resonance spectroscopy analysis, Arabidopsis pht5;1 loss-of-function mutants accumulate less Pi and exhibit a lower vacuolar-to-cytoplasmic Pi ratio than controls. Conversely, overexpression of PHT5 leads to massive Pi sequestration into vacuoles and altered regulation of Pi starvation-responsive genes. Furthermore, we show that heterologous expression of the rice homologue OsSPX-MFS1 mediates Pi influx to yeast vacuoles. Our findings show that a group of Pi transporters in vacuolar membranes regulate cytoplasmic Pi homeostasis and are required for fitness and plant growth. PMID:27029856

  18. The effect of hydrogen bonding on torsional dynamics: A combined far-infrared jet and matrix isolation study of methanol dimer

    SciTech Connect

    Kollipost, F.; Heger, M.; Suhm, M. A.; Andersen, J.; Mahler, D. W.; Wugt Larsen, R.; Heimdal, J.

    2014-11-07

    The effect of strong intermolecular hydrogen bonding on torsional degrees of freedom is investigated by far-infrared absorption spectroscopy for different methanol dimer isotopologues isolated in supersonic jet expansions or embedded in inert neon matrices at low temperatures. For the vacuum-isolated and Ne-embedded methanol dimer, the hydrogen bond OH librational mode of the donor subunit is finally observed at ∼560 cm{sup −1}, blue-shifted by more than 300 cm{sup −1} relative to the OH torsional fundamental of the free methanol monomer. The OH torsional mode of the acceptor embedded in neon is observed at ∼286 cm{sup −1}. The experimental findings are held against harmonic predictions from local coupled-cluster methods with single and double excitations and a perturbative treatment of triple excitations [LCCSD(T)] and anharmonic. VPT2 corrections at canonical MP2 and density functional theory (DFT) levels in order to quantify the contribution of vibrational anharmonicity for this important class of intermolecular hydrogen bond vibrational motion.

  19. The cogeneration steam turbine of the Tp-35/40-8.8 type

    NASA Astrophysics Data System (ADS)

    Valamin, A. Ye.; Kultyshev, A. Yu.; Goldberg, A. A.; Sakhnin, Yu. A.; Shekhter, M. V.; Paneque Aguilera, H. C.; Stepanov, M. Yu.; Shibaev, T. L.

    2012-12-01

    The main performance characteristics of the turbine, descriptions of the electrohydraulic control and protection system (EHCPS), the heat flow diagram, arrangement decisions, and motivation for selecting them, are given. The steam turbine presented by the Ural Turbine Works (UTW) is intended for replacing the VPT-25 turbine the service life of which has already expired at the Novokuybyshevsk CHP plant. The mixed-pressure turbine will operate in combination of the double-circuit heat recovery boiler (HRB) in a parallel scheme. High-pressure (HP) steam will be supplied from the main steam header to which high-pressure steam from the power boilers and the HRB will be fed, while low-pressure (LP) steam will be supplied directly from the HRB. For the turbine, nozzle steam distribution and the two-row control stage are adopted. The turbine has a process steam extraction line with its stop and control valve and heating steam extraction line leading to the main steam collector.

  20. On the synthesis of AlPO4-21 molecular sieve by vapor phase transport method and its phase transformation to AlPO4-15 molecular sieve

    NASA Astrophysics Data System (ADS)

    Shao, Hui; Chen, Jingjing; Chen, Xia; Leng, Yixin; Zhong, Jing

    2015-04-01

    An experimental design was applied to the synthesis of AlPO4-21 molecular sieve (AWO structure) by vapor phase transport (VPT) method, using tetramethylguanidine (TMG) as the template. In this study, the effects of crystallization time, crystallization temperature, phosphor content, template content and water content in the synthesis gel were investigated. The materials obtained were characterized by X-ray diffraction, scanning electron microscopy and fourier transform infrared spectroscopy (FT-IR). Microstructural analysis of the crystal growth in vapor synthetic conditions revealed a revised crystal growth route from zeolite AlPO4-21 to AlPO4-15 in the presence of the TMG. Homogenous hexagonal prism AlPO4-21 crystals with size of 7 × 3 μm were synthesized at a lower temperature (120 °C), which were completely different from the typical tabular parallelogram crystallization microstructure of AlPO4-21 phase. The crystals were transformed into AlPO4-21 phase with higher crystallization temperature, longer crystallization time, higher P2O5/Al2O3 ratio and higher TMG/Al2O3 ratio.

  1. Generalized Vibrational Perturbation Theory for Rotovibrational Energies of Linear, Symmetric and Asymmetric Tops: Theory, Approximations, and Automated Approaches to Deal with Medium-to-Large Molecular Systems.

    PubMed

    Piccardo, Matteo; Bloino, Julien; Barone, Vincenzo

    2015-08-05

    Models going beyond the rigid-rotor and the harmonic oscillator levels are mandatory for providing accurate theoretical predictions for several spectroscopic properties. Different strategies have been devised for this purpose. Among them, the treatment by perturbation theory of the molecular Hamiltonian after its expansion in power series of products of vibrational and rotational operators, also referred to as vibrational perturbation theory (VPT), is particularly appealing for its computational efficiency to treat medium-to-large systems. Moreover, generalized (GVPT) strategies combining the use of perturbative and variational formalisms can be adopted to further improve the accuracy of the results, with the first approach used for weakly coupled terms, and the second one to handle tightly coupled ones. In this context, the GVPT formulation for asymmetric, symmetric, and linear tops is revisited and fully generalized to both minima and first-order saddle points of the molecular potential energy surface. The computational strategies and approximations that can be adopted in dealing with GVPT computations are pointed out, with a particular attention devoted to the treatment of symmetry and degeneracies. A number of tests and applications are discussed, to show the possibilities of the developments, as regards both the variety of treatable systems and eligible methods.

  2. Acupuncture for the treatment of chronic painful peripheral diabetic neuropathy: a long-term study.

    PubMed

    Abuaisha, B B; Costanzi, J B; Boulton, A J

    1998-02-01

    Forty-six diabetic patients with chronic painful peripheral neuropathy were treated with acupuncture analgesia to determine its efficacy and long-term effectiveness. Twenty-nine (63%) patients were already on standard medical treatment for painful neuropathy. Patients initially received up to six courses of classical acupuncture analgesia over a period of 10 weeks, using traditional Chinese Medicine acupuncture points. Forty-four patients completed the study with 34 (77%) showing significant improvement in their primary and/or secondary symptoms (P < 0.01). These patients were followed up for a period of 18-52 weeks with 67% were able to stop or reduce their medications significantly. During the follow-up period only eight (24%) patients required further acupuncture treatment. Although 34 (77%) patients noted significant improvement in their symptoms, only seven (21%) noted that their symptoms cleared completely. All the patients but one finished the full course of acupuncture treatment without reported or observed side effects. There were no significant changes either in the peripheral neurological examination scores, VPT or in HbA1c during the course of treatment. These data suggest that acupuncture is a safe and effective therapy for the long-term management of painful diabetic neuropathy, although its mechanism of action remains speculative.

  3. Enhanced Photoluminescence and Raman Properties of Al-Doped ZnO Nanostructures Prepared Using Thermal Chemical Vapor Deposition of Methanol Assisted with Heated Brass

    PubMed Central

    Thandavan, Tamil Many K.; Gani, Siti Meriam Abdul; San Wong, Chiow; Md. Nor, Roslan

    2015-01-01

    Vapor phase transport (VPT) assisted by mixture of methanol and acetone via thermal evaporation of brass (CuZn) was used to prepare un-doped and Al-doped zinc oxide (ZnO) nanostructures (NSs). The structure and morphology were characterized by field emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). Photoluminescence (PL) properties of un-doped and Al-doped ZnO showed significant changes in the optical properties providing evidence for several types of defects such as zinc interstitials (Zni), oxygen interstitials (Oi), zinc vacancy (Vzn), singly charged zinc vacancy (VZn-), oxygen vacancy (Vo), singly charged oxygen vacancy (Vo+) and oxygen anti-site defects (OZn) in the grown NSs. The Al-doped ZnO NSs have exhibited shifted PL peaks at near band edge (NBE) and red luminescence compared to the un-doped ZnO. The Raman scattering results provided evidence of Al doping into the ZnO NSs due to peak shift from 145 cm-1 to an anomalous peak at 138 cm-1. Presence of enhanced Raman signal at around 274 and 743 cm-1 further confirmed Al in ZnO NSs. The enhanced D and G band in all Al-doped ZnO NSs shows possible functionalization and doping process in ZnO NSs. PMID:25756598

  4. Visual learning by imitation with motor representations.

    PubMed

    Lopes, Manuel; Santos-Victor, José

    2005-06-01

    We propose a general architecture for action (mimicking) and program (gesture) level visual imitation. Action-level imitation involves two modules. The viewpoint Transformation (VPT) performs a "rotation" to align the demonstrator's body to that of the learner. The Visuo-Motor Map (VMM) maps this visual information to motor data. For program-level (gesture) imitation, there is an additional module that allows the system to recognize and generate its own interpretation of observed gestures to produce similar gestures/goals at a later stage. Besides the holistic approach to the problem, our approach differs from traditional work in i) the use of motor information for gesture recognition; ii) usage of context (e.g., object affordances) to focus the attention of the recognition system and reduce ambiguities, and iii) use iconic image representations for the hand, as opposed to fitting kinematic models to the video sequence. This approach is motivated by the finding of visuomotor neurons in the F5 area of the macaque brain that suggest that gesture recognition/imitation is performed in motor terms (mirror) and rely on the use of object affordances (canonical) to handle ambiguous actions. Our results show that this approach can outperform more conventional (e.g., pure visual) methods.

  5. Unusual Fusion Proteins of HIV-1

    PubMed Central

    Langer, Simon; Sauter, Daniel

    2017-01-01

    Despite its small genome size, the Human Immunodeficiency Virus 1 (HIV-1) is one of the most successful pathogens and has infected more than 70 million people worldwide within the last decades. In total, HIV-1 expresses 16 canonical proteins from only nine genes within its 10 kb genome. Expression of the structural genes gag, pol, and env, the regulatory genes rev and tat and the accessory genes vpu, nef, vpr, and vif enables assembly of the viral particle, regulates viral gene transcription, and equips the virus to evade or counteract host immune responses. In addition to the canonically expressed proteins, a growing number of publications describe the existence of non-canonical fusion proteins in HIV-1 infected cells. Most of them are encoded by the tat-env-rev locus. While the majority of these fusion proteins (e.g., TNV/p28tev, p186Drev, Tat1-Rev2, Tat^8c, p17tev, or Ref) are the result of alternative splicing events, Tat-T/Vpt is produced upon programmed ribosomal frameshifting, and a Rev1-Vpu fusion protein is expressed due to a nucleotide polymorphism that is unique to certain HIV-1 clade A and C strains. A better understanding of the expression and activity of these non-canonical viral proteins will help to dissect their potential role in viral replication and reveal how HIV-1 optimized the coding potential of its genes. The goal of this review is to provide an overview of previously described HIV-1 fusion proteins and to summarize our current knowledge of their expression patterns and putative functions. PMID:28119676

  6. Foot Small Muscle Atrophy is present before the detection of Clinical Neuropathy

    PubMed Central

    Greenman, Robert L; Khaodhiar, Lalita; Lima, Christina; Dinh, Thanh; Giurini, John M; Veves, Aristidis

    2005-01-01

    OBJECTIVE To characterize structural changes and the metabolic profile in the foot muscles and correlate them with diabetic neuropathy measurements using a phosphorus-31 (31P) rapid acquisition with relaxation enhancement (RARE) MRI method. RESEARCH DESIGN AND METHODS Twelve control subjects, nine non-neuropathic and 12 neuropathic diabetic patients were studied using 31P RARE and proton (1H) MRI at 3 Tesla. The ratio of the total cross-sectional area of the foot to that of the muscle tissue was calculated from trans-axial 1H and 31P images. The average 31P concentration across the metatarsal head region was measured from the 31P images. RESULTS The muscle/total-area ratio was different among all three groups: 0.55 ± 0.04 (means ± SD); 0.44 ± 0.05; and 0.06 ± 0.06 for controls, non-neuropathic and neuropathic subjects respectively, (p <0.0001). The average 31P concentration was also different among all groups: 27.7 ± 3.8 mM; 21.7 ± 4.8; and 7.9 ± 8.8 for controls, non-neuropathic and neuropathic subjects respectively, (p <0.0001). The muscle/total-area ratios strongly correlated with clinical measurements: Neuropathy Disability Score (NDS) (r = −0.83, p <0.0001), Vibration Perception Threshold (VPT) (r= −0.79, p <0.0001) and Semmes-Weinstein Monofilaments (SWM) (r = −0.87, p <0.0001). CONCLUSIONS Small muscle atrophy is present in diabetes before clinical peripheral neuropathy can be detected using standard techniques available in clinical practice. The 31P RARE MRI method evaluates the severity of muscle atrophy, even in the early stages when neuropathy is absent. This technique may prove a useful diagnostic tool that can identify early stage diabetic foot problems. PMID:15920063

  7. Two paramagnetic iron states at the Verwey phase transition in magnetite

    NASA Astrophysics Data System (ADS)

    Stankowski, J.; Kempiński, W.; Łoś, S.; Bednarski, W.; Waplak, S.; Micnas, R.

    2006-06-01

    At the Verwey phase transition (VPT) region a wide line of the ferromagnetic resonance (FMR) and a narrow EPR spectrum were observed. The EPR line at 125 K occurred and then disappeared below 85 K. This unexpected phenomenon is observed only if iron charge state transformation is present. Simulation of both FMR as well as EPR spectra has indicated the presence of two different iron clusters in the Fe 3O 4 structure. Best fit of both spectra yielded g=2.4 and 4.1 for FMR, and g=2.8 and 3.4 for EPR. The presence of two-component (EPR, FMR) spectra at about T is due to a frustration of charge distribution in the B-sublattice as a result of the orthorhombic Pmca pseudosymmetry constraints on the atomic positions in monoclinic symmetry cell P2/c. The paramagnetic (EPR) center observed is an admixtured Fe 2+ state in antiferromagnetically ordered A-sublattice ferromagnetically coupled with the B-lattice. Two paramagnetic defects observed (EPR) of localized spin states are evoked by two valency states of Fe 2.4 and Fe 2.6 below T. They can originate from two types of Fe 4O 4 cubes: "electron-rich" and" electron-poor" at a ratio 3:1 [J.P. Wright, J.P. Attfield, P.G. Radaelli, Phys. Rev. Lett. 87 (2001) 266401; Phys. Rev. B 66 (2002) 214422] or from two types of bond dimerization (H. Seo, M. Ogata, H. Fukuyama, Phys. Rev. B65 (2002) 85107).

  8. Investigating the Ground-State Rotamers of n-Propylperoxy Radical

    SciTech Connect

    Hoobler, Preston Reece; Turney, Justin Matthew; Schaefer III, Henry

    2016-11-01

    The n-propylperoxy radical has been described as a molecule of critical importance to studies of low temperature combustion. Ab initio methods were used to study this three-carbon alkylperoxy radical, normal propylperoxy. Reliable CCSD(T)/ANO0 geometries were predicted for the molecule's five rotamers. For each rotamer, energetic predictions were made using basis sets as large as the cc-pV5Z in conjunction with coupled cluster levels of theory up to CCSDT(Q). Along with the extrapolations, corrections for relativistic effects, zero-point vibrational energies, and diagonal Born--Oppenheimer corrections were used to further refine energies. The results indicate that the lowest conformer is the gauche-gauche (GG) rotamer followed by the gauche-trans (0.12 kcal mol^-1 above GG), trans-gauche (0.44 kcal mol^-1), gauche'-gauche (0.47 kcal mol^-1), and trans-trans (0.57 kcal mol^-1). Fundamental vibrational frequencies were obtained using second-order vibrational perturbation theory (VPT2). This is the first time anharmonic frequencies have been computed for this system. The most intense IR features include all but one of the C-H stretches. The O-O fundamental (1063 cm^-1 for the GG structure) also has a significant IR intensity, 19.6 km mol^-1. The anharmonicity effects on the potential energy surface were also used to compute vibrationally averaged r_g,0 K bond lengths, accounting for zero-point vibrations present within the molecule.

  9. Bile salt-stimulated lipase of human milk: characterization of the enzyme from preterm and term milk

    SciTech Connect

    Freed, L.M.; Hamosh, P.; Hamosh, M.

    1986-03-01

    The bile salt-stimulated lipase (BSSL) of human milk is an important digestive enzyme in the newborn whose pancreatic function is immature. Milk from mothers delivering premature infants (preterm milk) has similar levels of BSSL activity to that of mothers of term infants (term milk). This study has determined whether the BSSL in preterm milk has the same characteristics as that in term milk. Milk samples were collected during the first 12 wk of lactation from seven mothers of infants born at 26-30 wk (very preterm, VPT), 31-37 wk (preterm, PT) and 37-42 wk (term, T) gestation. BSSL activity was measured using /sup 3/H-triolein emulsion as substrate. Time course, bile salt and enzyme concentration, pH and pH stability were studied, as well as inhibition of BSSL by eserine. The characteristics of BSSL from preterm and term milk were identical as were comparisons between colostrum and mature milk BSSL. BSSL from all milk sources had a neutral-to-alkaline pH optimum (pH 7.3-8.9), was stable at low pH for 60 min, and was 95-100% inhibited by eserine (greater than or equal to 0.6 mM). BSSL activity, regardless of enzyme source, was bile-salt dependent and was stimulated only by primary bile salts (taurocholate, glycocholate). The data indicate that the BSSL in milks of mothers delivering as early as 26 wk gestation is identical to that in term milk.

  10. Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene.

    PubMed

    Krasnoshchekov, Sergey V; Craig, Norman C; Boopalachandran, Praveenkumar; Laane, Jaan; Stepanov, Nikolay F

    2015-10-29

    A quantum-mechanical (hybrid MP2/cc-pVTZ and CCSD(T)/cc-pVTZ) full quartic potential energy surface (PES) in rectilinear normal coordinates and the second-order operator canonical Van Vleck perturbation theory (CVPT2) are employed to predict the anharmonic vibrational spectra of s-trans- and s-gauche-butadiene (BDE). These predictions are used to interpret their infrared and Raman scattering spectra. New high-temperature Raman spectra in the gas phase are presented in support of assignments for the gauche conformer. The CVPT2 solution is based on a PES and electro-optical properties (EOP; dipole moment and polarizability) expanded in Taylor series. Higher terms than those routinely available from Gaussian09 software were calculated by numerical differentiation of quadratic force fields and EOP using the MP2/cc-pVTZ model. The integer coefficients of the polyad quantum numbers were derived for both conformers of BDE. Replacement of harmonic frequencies by their counterparts from the CCSD(T)/cc-pVTZ model significantly improved the agreement with experimental data for s-trans-BDE (root-mean-square deviation ≈ 5.5 cm(-1)). The accuracy in predicting the rather well-studied spectrum of fundamentals of s-trans-BDE assures good predictions of the spectrum of s-gauche-BDE. A nearly complete assignment of fundamentals was obtained for the gauche conformer. Many nonfundamental transitions of the BDE conformers were interpreted as well. The predictions of multiple Fermi resonances in the complex CH-stretching region correlate well with experiment. It is shown that solving a vibrational anharmonic problem through a numerical-analytic implementation of CVPT2 is a straightforward and computationally advantageous approach for medium-size molecules in comparison with the standard second-order vibrational perturbation theory (VPT2) based on analytic expressions.

  11. Comparison of diabetes patients with “demyelinating” diabetic sensorimotor polyneuropathy to those diagnosed with CIDP

    PubMed Central

    Dunnigan, Samantha K; Ebadi, Hamid; Breiner, Ari; Katzberg, Hans D; Lovblom, Leif E; Perkins, Bruce A; Bril, Vera

    2013-01-01

    Background We have previously identified a subset of diabetic sensorimotor polyneuropathy (DSP) patients with probable demyelination related to poor glycemic control. We aimed to determine whether the clinical characteristics and electrodiagnostic classification of nerve injury in diabetes patients with “demyelinating” DSP (D-DSP) differed from those diagnosed with chronic inflammatory demyelinating polyneuropathy (CIDP) (CIDP + diabetes mellitus [DM]). Methods D-DSP (56) and CIDP + DM (67) subjects underwent clinical examination and nerve conduction studies (NCS), and were compared using analysis of variance, contingency tables, and Kruskal–Wallis analyses. Results Of the 123 subjects with a mean age of 60.5 ± 15.6 years and mean hemoglobin A1c (HbA1c) of 8.2 ± 2.2%, 54% had CIDP + DM and 46% had D-DSP. CIDP + DM subjects were older (P = 0.0003), had shorter duration of diabetes (P = 0.005), and more severe neuropathy as indicated by Toronto Clinical Neuropathy Score (TCNS) (P = 0.003), deep tendon reflexes (P = 0.02), and vibration perception thresholds (VPT) (P = 0.01, P = 0.02). The mean HbA1c value for D-DSP subjects (8.9 ± 2.3%) was higher than in CIDP + DM subjects (7.7 ± 2.0%, P = 0.02). Conclusions The clinical phenotype and electrophysiological profile of CIDP + DM patients is marked by more severe neuropathy and better glycemic control than in patients with D-DSP. These findings indicate that these two conditions – despite similarities in their electrophysiological pattern of demyelination – likely differ in etiology. PMID:24363969

  12. Investigating the Ground-State Rotamers of n-Propylperoxy Radical

    DOE PAGES

    Hoobler, Preston Reece; Turney, Justin Matthew; Schaefer III, Henry

    2016-11-01

    The n-propylperoxy radical has been described as a molecule of critical importance to studies of low temperature combustion. Ab initio methods were used to study this three-carbon alkylperoxy radical, normal propylperoxy. Reliable CCSD(T)/ANO0 geometries were predicted for the molecule's five rotamers. For each rotamer, energetic predictions were made using basis sets as large as the cc-pV5Z in conjunction with coupled cluster levels of theory up to CCSDT(Q). Along with the extrapolations, corrections for relativistic effects, zero-point vibrational energies, and diagonal Born--Oppenheimer corrections were used to further refine energies. The results indicate that the lowest conformer is the gauche-gauche (GG) rotamermore » followed by the gauche-trans (0.12 kcal mol^-1 above GG), trans-gauche (0.44 kcal mol^-1), gauche'-gauche (0.47 kcal mol^-1), and trans-trans (0.57 kcal mol^-1). Fundamental vibrational frequencies were obtained using second-order vibrational perturbation theory (VPT2). This is the first time anharmonic frequencies have been computed for this system. The most intense IR features include all but one of the C-H stretches. The O-O fundamental (1063 cm^-1 for the GG structure) also has a significant IR intensity, 19.6 km mol^-1. The anharmonicity effects on the potential energy surface were also used to compute vibrationally averaged r_g,0 K bond lengths, accounting for zero-point vibrations present within the molecule.« less

  13. Spectroscopic Studies of Molecular Systems relevant in Astrobiology

    NASA Astrophysics Data System (ADS)

    Fornaro, Teresa

    2016-01-01

    double-ζ quality such as N07D and SNSD. Such a protocol has been then applied to the dimers of nucleobases in order to study the perturbation on the vibrational frequencies and infrared intensities induced by the intermolecular hydrogen-bonding interactions. Efforts have been made to challenge the problems of simulating strongly anharmonic vibrations within hydrogen-bonded bridges, focusing on the requirement of a very accurate description of the underlying potential energy surface. Improvements for such vibrations have been achieved by means of hybrid models, where the harmonic part of the force-field is computed at a higher level of theory like B2PLYP, or by application of the less demanding ONIOM B2PLYP:B3LYP scheme, which is a focused model where only the part of the molecular system forming the hydrogen bonds is treated at B2PLYP level of theory. Moreover, for improving the vibrational frequencies of modes like the stretching of C=O and N-H functional groups, which are particularly sensitive to hydrogen-bonding, correction parameters for the B3LYP-D3/N07D frequencies have been determined. Afterwards, the treatment of the vibrational properties of nucleobases in condensed phases has been faced, focusing on uracil in the solid state. In particular, a heptamer cluster of uracil molecules has been considered as model to represent the properties in the solid state. The relative vibrational frequencies have been computed at anharmonic level within the VPT2 framework, combining two cost-effective approaches, namely the hybrid B3LYP-D3/N07D:DFTBA model, where the harmonic frequencies are computed with B3LYP-D3/N07D method and the anharmonic corrections are evaluated with the less expensive DFTBA method, and the reduced dimensionality VPT2 (RD-VPT2) approach, in which only selected vibrational modes are calculated anharmonically (including the couplings with the other modes) while the remaining modes are treated at the harmonic level, using the B3LYP-D3/N07D method only

  14. Fabrication and characterization of ZnO nanowires grown on Ti substrate

    NASA Astrophysics Data System (ADS)

    Meng, Gang; Fang, Xiaodong; Tao, Ruhua; Dong, Weiwei; Deng, Zanhong; Zhou, Shu

    2009-07-01

    Zinc oxide (ZnO) with a wide band gap of 3.37 eV, and a large exciton binding energy of 60 mV at room temperature, is one of the most important n-type semiconductor, that has potential applications in the area of short-wavelength optoelectronic devices, gas sensors, solar cells, and field emitters. Some advanced nanodevices based on one-dimensional (1-D) ZnO nanomaterials have been successfully demonstrated in the past few years. The types of substrate have a great influence on the properties of ZnO nanostrctural devices. Semiconductor substrates such as Si and Al2O3 were widely used for the collection or epitaxial growth of ZnO nanostructures, for metal substrate, Fe and Cu foil has also been used as substrate, there are few reports on ZnO nanowires grown on Ti foil, Ti is an important electrode metal that ohmic contact can be appropriately achieved, which is critical for semiconductor device application. Besides, both Ti and ZnO show good biocompatibility, it is expected that ZnO nanowires/ Ti show good performance on bio-sensors. In this paper, 1-D ZnO nanostructures have been successfully fabricated on the conductive Ti substrate via a vapor phase transport (VPT) method by carbothermal reduction of ZnO and graphite powder mixture in a tube furnace at 850°C. The final products were characterized by means of field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), high-solution transmission electron microscope (HRTEM) (equipped with selected area electron diffraction, SAED), and photoluminescence (PL) spectroscopy. FE SEM results show that dense, ultra-long (>10μm), and locally aligned ZnO nanowire arrays were grown on the Ti foil. The diameter of nanowires exhibits a wide range from 150 nm to about 500nm. Structural characterizations (XRD, SAED, HRTEM) indicate the as synthesized nanostructures have a ZnO wurtzite structure and are perfect single crystalline without any defects or impurities. The growth direction is [0001]. Optical

  15. Magnesium bicarbonate and carbonate interactions in aqueous solutions: An infrared spectroscopic and quantum chemical study

    NASA Astrophysics Data System (ADS)

    Stefánsson, Andri; Lemke, Kono H.; Bénézeth, Pascale; Schott, Jacques

    2017-02-01

    The interaction of magnesium with bicarbonate and carbonate ions in aqueous solutions was studied using infrared spectroscopy and quantum chemical calculations. Using the infrared vibrational bands for HCO3- and CO32- at 1200-1450 cm-1 (δC-OH, vS and v3) together with their molar absorptivity (ε), the concentrations of the HCO3- and CO32- ions and the corresponding Mg ion pairs have been determined. In the absence of Mg2+, measured spectra were accurately reproduced assuming that only HCO3- and CO32- were present in solution. Upon addition of Mg2+ at fixed pH, infrared spectra were observed to shift indicating presence of the MgHCO3+ and MgCO3 (aq) ion pairs. From measurements, the second ionization constant of carbonic acid and the MgHCO3+ and MgCO3 (aq) ion pair formation constants have been obtained, these being logK2 = -10.34 ± 0.04, logKMgHCO3+ = 1.12 ± 0.11 and logKMgCO3 = 2.98 ± 0.06, respectively. To support our experimental infrared measurements and to gain further insight into the molecular nature of the ion pair formation, density functional theory (DFT) calculations with VPT2 anharmonic correction were conducted. The most stable geometries predicted for the MgHCO3+ and MgCO3 (aq) ion pairs were a bi-dentate [MgHCO3]+(H2O)n and a monodentate [MgHCO3]+(OH)(H2O)n complexes, respectively. The predicted frequencies for HCO3-, CO32- and MgHCO3+ were found to shift toward those experimentally measured with an increasing H2O solvation number where possible band shifts were predicted for MgCO3 (aq) relative to CO32-, this being dependent on the exact structure and hydration of the bulk MgCO3 (aq) ion pair. Experimentally, the ion pair formations were found to have insignificant effects on the δC-OH, vS and v3 vibrational frequencies. The speciation of dissolved inorganic carbon may be significantly influenced by ion pair formation, particularly in alkaline solutions where they may be the predominant species.

  16. Infrared absorption of methanol clusters (CH3OH)n with n = 2-6 recorded with a time-of-flight mass spectrometer using infrared depletion and vacuum-ultraviolet ionization.

    PubMed

    Han, Hui-Ling; Camacho, Cristopher; Witek, Henryk A; Lee, Yuan-Pern

    2011-04-14

    We investigated IR spectra in the CH- and OH-stretching regions of size-selected methanol clusters, (CH(3)OH)(n) with n = 2-6, in a pulsed supersonic jet by using the IR-VUV (vacuum-ultraviolet) ionization technique. VUV emission at 118 nm served as the source of ionization in a time-of-flight mass spectrometer. The tunable IR laser emission served as a source of predissociation or excitation before ionization. The variations of intensity of protonated methanol cluster ions (CH(3)OH)(n)H(+) and CH(3)OH(+) and (CH(3)OH)(2)(+) were monitored as the IR laser light was tuned across the range 2650-3750 cm(-1). Careful processing of these action spectra based on photoionization efficiencies and the production and loss of each cluster due to photodissociation yielded IR spectra of the size-selected clusters. Spectra of methanol clusters in the OH region have been extensively investigated; our results are consistent with previous reports, except that the band near 3675 cm(-1) is identified as being associated with the proton acceptor of (CH(3)OH)(2). Spectra in the CH region are new. In the region 2800-3050 cm(-1), bands near 2845, 2956, and 3007 cm(-1) for CH(3)OH split into 2823, 2849, 2934, 2955, 2984, and 3006 cm(-1) for (CH(3)OH)(2) that correspond to proton donor and proton acceptor, indicating that the methanol dimer has a preferred open-chain structure. In contrast, for (CH(3)OH)(3), the splitting diminishes and the bands near 2837, 2954, and 2987 cm(-1) become narrower, indicating a preferred cyclic structure. Anharmonic vibrational wavenumbers predicted for the methanol open-chain dimer and the cyclic trimer with the B3LYP∕VPT2∕ANO1 level of theory are consistent with experimental results. For the tetramer and pentamer, the spectral pattern similar to that of the trimer but with greater widths was observed, indicating that the most stable structures are also cyclic.

  17. High-speed dual Langmuir probe.

    PubMed

    Lobbia, Robert B; Gallimore, Alec D

    2010-07-01

    In an effort to temporally resolve the electron density, electron temperature, and plasma potential for turbulent plasma discharges, a unique high-speed dual Langmuir probe (HDLP) has been developed. A traditional single Langmuir probe of cylindrical geometry (exposed to the plasma) is swept simultaneously with a nearby capacitance and noise compensating null probe (fully insulated from the plasma) to enable bias sweep rates on a microsecond timescale. Traditional thin-sheath Langmuir probe theory is applied for interpretation of the collected probe data. Data at a sweep rate of 100 kHz are presented; however the developed system is capable of running at 1 MHz-near the upper limit of the applied electrostatic Langmuir probe theory for the investigated plasma conditions. Large sets (100,000 sweeps at each of 352 spatial locations) of contiguous turbulent plasma properties are collected using simple electronics for probe bias driving and current measurement attaining 80 dB signal-to-noise measurements with dc to 1 MHz bandwidth. Near- and far-field plume measurements with the HDLP system are performed downstream from a modern Hall effect thruster where the time-averaged plasma properties exhibit the approximate ranges: electron density n(e) from (1x10(15))-(5x10(16)) m(-3), electron temperature T(e) from 1 to 3.5 eV, and plasma potential V(p) from 5 to 15 V. The thruster discharge of 200 V (constant anode potential) and 2 A (average discharge current) displays strong, 2.2 A peak-to-peak, current oscillations at 19 kHz, characteristic of the thruster "breathing mode" ionization instability. Large amplitude discharge current fluctuations are typical for most Hall thrusters, yet the HDLP system reveals the presence of the same 19 kHz fluctuations in n(e)(t), T(e)(t), and V(p)(t) throughout the entire plume with peak-to-peak divided by mean plasma properties that average 94%. The propagation delays between the discharge current fluctuations and the corresponding plasma

  18. Quantitative neurosensory findings, symptoms and signs in young vibration exposed workers

    PubMed Central

    2013-01-01

    Background Long-term exposure to hand-held vibrating tools may cause the hand arm vibration syndrome (HAVS) including vibration induced white fingers and sensorineural symptoms. The aim was to study early neurosensory effects by quantitative vibrotactile and monofilament tests in young workers with hand-held vibration exposure. Methods This cross-sectional study consisted of 142 young, male machine shop and construction workers with hand-held exposure to vibrating tools. They were compared with 41 non-vibration exposed subjects of the same age-group. All participants passed a structured interview, answered several questionnaires and had a physical examination including the determination of vibrotactile perception thresholds (VPTs) at two frequencies (31.5 and 125 Hz) and Semmes Weinstein’s Monofilament test. Results In the vibration exposed group 8% of the workers reported episodes of tingling sensations and 10% numbness in their fingers. Approximately 5–10% of the exposed population displayed abnormal results on monofilament tests. The vibrotactile testing showed significantly increased VPTs for 125 Hz in dig II bilaterally (right hand, p = 0.01; left hand, p = 0.024) in the vibration exposed group. A multiple regression analysis (VPT - dependent variable; age, height, examiner and five different vibration dose calculations – predictor variables) in dig II bilaterally showed rather low R2-values. None of the explanatory variables including five separately calculated vibration doses were included in the models, neither for the total vibration exposed group, nor for the highest exposed quartile. A logistic multiple regression analysis (result of monofilament testing - dependent variable; age, height, examiner and five vibration dose calculations – predictor variables) of the results of monofilament testing in dig II bilaterally gave a similar outcome. None of the independent variables including five calculated vibration doses were included in the

  19. 'Geoba-Raman-try': calibration of spectroscopic barometers for mineral inclusions (Invited)

    NASA Astrophysics Data System (ADS)

    Kohn, M. J.

    2013-12-01

    Determination of pressure-temperature (P-T) conditions of mineral formation underpins many crustal and mantle petrogenetic endeavors. Trace element thermometry has vastly improved T constraints, but P remains elusive and is still mainly based on solid state net-transfer reactions restricted to particular assemblages and whole-rock compositions. Novel Raman micro-spectroscopy may expand the range of geobarometers. At the P-T conditions of entrapment, no pressure mismatch occurs between inclusion and host (ΔP = 0). During cooling and exhumation, however, different thermal expansivities and compressibilities between host and inclusions impart a residual pressure (ΔP≠0) whose magnitude depends on entrapment P-T, V(P,T) and the shear modulus of the host phase. Many Raman peak positions are P-dependent, allowing ΔP to be measured. Based on shear moduli and V(P,T) (Holland & Powell, 2011, JMG), and assuming inclusions are small so that the host behaves as an infinite medium, a distribution of P-T-ΔP conditions may be calculated for various host-inclusion pairs and fit to simplified barometric calibrations. Distributions were calculated over P=0 to 25 kbar and T=400 to 900 °C for α-quartz- and graphite-bearing assemblages and P=35 to 150 kbar and T=800 to 1400 °C for diamond-bearing assemblages. These lead to the following calibrations (P in bars, T in K): Graphite-in-Grt (GriG): P = 1.491ΔP+1.129T+184*exp(ΔP/(9T))-1197 Qtz-in-Grt (QuiG): P = 0.8586ΔP+18.31T+12922*exp(ΔP/(27T))-21615 MgGrt-in-Dia (GriD, <90 kb): P = 2.07ΔP+50.8T+971*exp(ΔP/(15T))-13881 MgGrt-in-Dia (GriD, >90 kb): P = 2.31ΔP+52.0T+363*exp(ΔP/(15T))-18327 Coe-in-Dia (CoiD, <90 kb): P = 1.56ΔP+2.82T+143.7*exp(ΔP/(15T))-532 Coe-in-Dia (CoiD, >90 kb): P = 1.82ΔP-0.68T+13.54*exp(ΔP/(15T))-8197 Qtz-in-Omp (QuiO): P = 1.027ΔP+18.52T+10043*exp(ΔP/(17T))-18975 Qtz-in-Rt (QuiR): P = 0.7537ΔP+17.73T+14793*exp(ΔP/(26T))-23379 Qtz-in-Zrc (QuiZ): P = 1.007ΔP+20.32T+8108*exp(ΔP/(26T))-16410 For

  20. A novel thermodynamic model of Mg2SiO4 with a superior representation of experimental data predicts negligible layering in mantle convection

    NASA Astrophysics Data System (ADS)

    Jacobs, M. H.; de Jong, B. H.; van den Berg, A. P.

    2005-12-01

    substances behave quasi-harmonically. The predicted Clapeyron slope of the post- spinel phase boundary is -(2.0±0.5) MPa/K. These results, have been included in a numerical model of convection in the Earth's mantle revealing no layered convection in the transition zone. Our model includes the recently discovered post-perovskite phase (P~125 GPa) based on ab-initio results and V-P-T measurements by Murakami et al. [6]. The convection results indicate that the post- perovskite layer at the bottom of the mantle is a time-dependent phenomenon strongly affected by core temperature of a cooling earth. References [1] M.H.G. Jacobs and B.H.W.S. de Jong, Geochim. Cosmochim. Acta (2005), in press. [2] S.W. Kieffer, Rev. Geophys. Space Physics, 17 (1979) 35-59. [3] M.H.G. Jacobs, B.H.W.S. de Jong and A.P. van den Berg, Calphad (2005), submitted. [4] T. Inoue, Y. Tanimoto, T. Irifune, T. Suzuki, H. Fukui and O. Ohtaka, Phys. Earth Planet. Int. 143-144 (2004) 279-290. [5] I. Suzuki, J. Phys. Earth, 27 (1979) 53-61. [6] M. Murakami, K. Hirose, K. Kawamura, N. Sata and Y. Ohishi, Science, 304 (2004) 855-855

  1. Optimal geometries and harmonic vibrational frequencies of the global minima of water clusters (H2O)n, n = 2–6, and several hexamer local minima at the CCSD(T) level of theory

    SciTech Connect

    Miliordos, Evangelos; Aprà, Edoardo; Xantheas, Sotiris S.

    2013-01-01

    (T) harmonic frequencies, when corrected using the MP2 anharmonicities obtained from second order vibrational perturbation theory (VPT2), produce anharmonicCCSD(T) estimates that are within < 60 cm-1 from the measured infrared (IR) active bands of the n=2-6 clusters and furthermore trace the observed red shifts with respect to the monomer (Δν) quite accurately. The energetic order between the various hexamer isomers on the PES (prism has the lowest energy) previously reported at MP2 was found to be preserved at the CCSD(T) level, whereas the inclusion of anharmonic corrections further stabilizes the cage among the hexamer isomers.

  2. Integrated Cooling System for Induction Motor Traction Drives, CARAT Program Phase Two Final Report

    SciTech Connect

    Konrad, Charles E.

    2002-12-03

    This Program is directed toward improvements in electric vehicle/hybrid electric vehicle traction systems, and in particular, the development of a low cost, highly efficient, compact traction motor-controller system targeted for high volume automotive use. Because of the complex inter-relationships between the motor and the controller, the combination of motor and controller must be considered as a system in the design and evaluation of overall cost and performance. The induction motor is ideally suited for use as a traction motor because of its basic ruggedness, low cost, and high efficiency. As one can see in Figure 1.1, the induction motor traction drive has been continually evolving through a succession of programs spanning the past fifteen years. VPT marketed an induction motor-based traction drive system, the EV2000, which proved to be a reliable, high performance system that was used in a wide range of vehicles. The EV2000 drives evolved from the Modular Electric Vehicle Program (MEVP) and has been used in vehicles ranging in size from 3,000 lb. autos and utility vans, to 32,000 lb. city transit buses. Vehicles powered by the EV2000 induction motor powertrain have accumulated over 2 million miles of service. The EV2000 induction motor system represents 1993 state-of-the-art technology, and evolved from earlier induction motor programs that drove induction motor speeds up to 15,000 rpm to reduce the motor size and cost. It was recognized that the improvements in power density and motor cost sought in the PNGV program could only be achieved through increases in motor speed. Esson’s Rule for motor power clearly states that the power obtainable from a given motor design is the product of motor speed and volume. In order to meet the CARAT Program objectives, the maximum speed goal of the induction motor designed in this Program was increased from 15,000 rpm to 20,000 rpm while maintaining the efficiency and durability demonstrated by lower speed designs done in

  3. Stabile Expression von Sulfotransferasen - allein oder in Kombination mit Cytochrom P450 - in Zelllinien für Mutagenitätsuntersuchungen

    NASA Astrophysics Data System (ADS)

    Pabel, Ulrike

    2003-10-01

    -dimethylaminoazobenzol; 0,1 µM für 2-Aminoanthracen; 10 µM für 2,4-Diaminotoluol). Die stärkste Aktivierung von 2-Acetylaminofluoren und 3′-Methyl-4-dimethylaminoazobenzol erfolgte in der Zelllinie, die CYP1A2 und SULT1A2 koexprimierte; die stärkste Aktivierung von 2,4-Diaminotoluol und 2-Aminoanthracen erfolgte in der Zelllinie, die CYP1A2 und SULT1A1 koexprimierte. Sowohl SULT1A1 als auch SULT1A2 sind im Menschen genetisch polymorph. Ein unterschiedlich starkes Aktivierungspotenzial der Alloenzyme könnte eine individuell unterschiedliche Suszeptibilität für die durch aAA ausgelöste Kanzerogenese bedingen. In HPRT-Mutationsuntersuchungen mit rekombinanten Zellen zeigten die allelischen Varianten der SULT1A2 starke Unterschiede in ihrem Aktivierungpotenzial. Nur in der Zelllinie, die das Alloenzym SULT1A2*1 mit CYP1A2 koexprimierte, wurde 2-Acetylaminofluoren zum Mutagen aktiviert. Zur Aktivierung von 3′-Methyl-4-dimethylaminoazobenzol waren jedoch sowohl das Alloenzym SULT1A2*1 als auch das Alloenzym SULT1A2*2 in der Lage. Die Alloenzyme der SULT1A1 zeigten ein ähnlich gutes Aktivierungspotenzial für aAA. In früheren Studien wurde gezeigt, dass die SULT1C1 der Ratte eine wichtige Rolle bei der Aktivierung der aAA in dieser Spezies spielt. Dahingegen war die humane SULT1C1 nicht in der Lage die untersuchten aAA zu aktivieren. Die Kenntnis solcher Spezieunterschiede könnte wichtig sein um unterschiedliche Organotropismen aAA in Menschen und Tiermodellen zu erklären, da SULT mit starker Gewebespezifität exprimiert werden und das Expressionsmuster für die einzelnen SULT-Formen in Menschen und Ratten sich stark unterscheidet. Aromatic amines and amides (aAA) represent a group of chemicals with great toxicological importance due to their wide distribution in the environment and their carcinogenic potency. The carcinogenicity of aAA is mediated by the mutagenic action of highly reactive metabolites. They are frequently formed by N-hydroxylation of the exocyclic

  4. Growth

    NASA Astrophysics Data System (ADS)

    Waag, Andreas

    This chapter is devoted to the growth of ZnO. It starts with various techniques to grow bulk samples and presents in some detail the growth of epitaxial layers by metal organic chemical vapor deposition (MOCVD), molecular beam epitaxy (MBE), and pulsed laser deposition (PLD). The last section is devoted to the growth of nanorods. Some properties of the resulting samples are also presented. If a comparison between GaN and ZnO is made, very often the huge variety of different growth techniques available to fabricate ZnO is said to be an advantage of this material system. Indeed, growth techniques range from low cost wet chemical growth at almost room temperature to high quality MOCVD growth at temperatures above 1, 000∘C. In most cases, there is a very strong tendency of c-axis oriented growth, with a much higher growth rate in c-direction as compared to other crystal directions. This often leads to columnar structures, even at relatively low temperatures. However, it is, in general, not straight forward to fabricate smooth ZnO thin films with flat surfaces. Another advantage of a potential ZnO technology is said to be the possibility to grow thin films homoepitaxially on ZnO substrates. ZnO substrates are mostly fabricated by vapor phase transport (VPT) or hydrothermal growth. These techniques are enabling high volume manufacturing at reasonable cost, at least in principle. The availability of homoepitaxial substrates should be beneficial to the development of ZnO technology and devices and is in contrast to the situation of GaN. However, even though a number of companies are developing ZnO substrates, only recently good quality substrates have been demonstrated. However, these substrates are not yet widely available. Still, the situation concerning ZnO substrates seems to be far from low-cost, high-volume production. The fabrication of dense, single crystal thin films is, in general, surprisingly difficult, even when ZnO is grown on a ZnO substrate. However

  5. AAS 228: Day 1 morning

    NASA Astrophysics Data System (ADS)

    Kohler, Susanna

    2016-06-01

    occur at different times and have different depths in the light curve each time they orbit. Their misalignment may have been caused by a past collision with another planet, which was kicked out of the system in the process. The LIGO-VIRGO Forum on Hunting Gravitational Wave Counterparts(by Gourav Khullar)This parallel session, organized by Peter Shawhan (University of Maryland, advancedLIGO) discussed the first major followup campaign of the GW150914 gravitational wave (GW) discovery event by the physics and astronomy community around the world. It was extremely exciting to hear the speakers talk of the actual process behind the mega-collaborative effort following the first GW event. This paper, published on June 3rd this year, was described by Peter, with a strong emphasis on the timeline following the GW alert in raw LIGO data back in September 2015, along with description of the sky map and raw data given to different facilities and collaborations that LIGO-VIRGO had signed Memorandums of Understanding (MOUs) with for rapid and robust followups. The talk also focussed on resources and tutorials available now to unpack and characterize future alerts data from LIGO-VIRGO. This talk was followed by the description of the all sky survey PAN-STARRS, and its joint efforts with LIGO. It was pointed out that PAN-STARRS had already scanned the sky multiple times, which gave the program an edge in determining transients, i.e. recent features appearing on their new maps but not the old. This extensive survey also allowed better characterization of the transient source, which would be the next step for PAN-STARRS and other similar projects. Our @LIGO booth at #AAS228 is up and running drop by for a chat about #gravitationalwaves pic.twitter.com/akt9wsVPT6 pic.twitter.com/kmPz3oxzJf LIGO (@LIGO) June 13, 2016Following this was a talk by Andy Howell, of the newly formed Las Cumbres Observatory A Global Telescope Network (LCOGT), made up of multiple telescopes across the US, Chile