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Sample records for al acta cryst

  1. Crystallization reports are the backbone of Acta Cryst. F, but do they have any spine?

    PubMed Central

    Newman, Janet; Burton, Denis R.; Caria, Sofia; Desbois, Sebastien; Gee, Christine L.; Fazio, Vincent J.; Kvansakul, Marc; Marshall, Bevan; Mills, Grant; Richter, Viviane; Seabrook, Shane A.; Wu, Mingbo; Peat, Thomas S.

    2013-01-01

    Crystallization of macromolecules is famously difficult. By knowing what has worked for others, researchers can ease the process, both in the case where the protein has already been crystallized and in the situation where more general guidelines are needed. The 264 crystallization communications published in Acta Crystallographica Section F in 2012 have been reviewed, and from this analysis some information about trends in crystallization has been gleaned. More importantly, it was found that there are several ways in which the utility of these communications could be increased: to make each individual paper a more complete crystallization record; and to provide a means for taking a snapshot of what the current ‘best practices’ are in the field. PMID:23832194

  2. Crystallization reports are the backbone of Acta Cryst. F, but do they have any spine?

    PubMed

    Newman, Janet; Burton, Denis R; Caria, Sofia; Desbois, Sebastien; Gee, Christine L; Fazio, Vincent J; Kvansakul, Marc; Marshall, Bevan; Mills, Grant; Richter, Viviane; Seabrook, Shane A; Wu, Mingbo; Peat, Thomas S

    2013-07-01

    Crystallization of macromolecules is famously difficult. By knowing what has worked for others, researchers can ease the process, both in the case where the protein has already been crystallized and in the situation where more general guidelines are needed. The 264 crystallization communications published in Acta Crystallographica Section F in 2012 have been reviewed, and from this analysis some information about trends in crystallization has been gleaned. More importantly, it was found that there are several ways in which the utility of these communications could be increased: to make each individual paper a more complete crystallization record; and to provide a means for taking a snapshot of what the current `best practices' are in the field. PMID:23832194

  3. Recent developments in CrystFEL 1

    PubMed Central

    White, Thomas A.; Mariani, Valerio; Brehm, Wolfgang; Yefanov, Oleksandr; Barty, Anton; Beyerlein, Kenneth R.; Chervinskii, Fedor; Galli, Lorenzo; Gati, Cornelius; Nakane, Takanori; Tolstikova, Alexandra; Yamashita, Keitaro; Yoon, Chun Hong; Diederichs, Kay; Chapman, Henry N.

    2016-01-01

    CrystFEL is a suite of programs for processing data from ‘serial crystallography’ experiments, which are usually performed using X-ray free-electron lasers (FELs) but also increasingly with other X-ray sources. The CrystFEL software suite has been under development since 2009, just before the first hard FEL experiments were performed, and has been significantly updated and improved since then. This article describes the most important improvements which have been made to CrystFEL since the first release version. These changes include the addition of new programs to the suite, the ability to resolve ‘indexing ambiguities’ and several ways to improve the quality of the integrated data by more accurately modelling the underlying diffraction physics. PMID:27047311

  4. Comment on "Investigations of interstitial generations near growth interface depending on crystal pulling rates during CZ silicon growth by detaching from the melt" by T. Abe et al. [J. Cryst. Growth 434 (2016) 128-137] and on "Observations of secondary defects and vacancies in CZ silicon crystals detached from melt using four different types of characterization technique" by T. Abe et al. [J. Cryst. Growth 436 (2016) 23-33

    NASA Astrophysics Data System (ADS)

    Vanhellemont, Jan; Kamiyama, Eiji; Nakamura, Kozo; Sueoka, Koji

    2016-09-01

    In the papers mentioned above, Abe et al. published beautiful experimental data on intrinsic point defect related defect distributions in detached growing Czochralski Si crystals with and without additional thermal anneals [1,2]. The new fact compared to the results published before [3] is that the crystals are pulled with decreasing speed before detaching, resulting in crystals that vary along the axis from initially vacancy-rich to interstitial-rich for the slowest pulling speed before detaching.

  5. Reply to comment by Marks et al. (2016) on "Apatite: A new redox proxy for silicic magmas?" [Geochimica et Cosmochimica Acta 132 (2014) 101-119

    NASA Astrophysics Data System (ADS)

    Miles, Andrew; Graham, Colin; Hawkesworth, Chris; Gillespie, Martin; Hinton, Richard; Bromiley, Geoffrey

    2016-06-01

    Marks et al. (2016) investigate the applicability of the Mn-in-apatite oxybarometer proposed by Miles et al. (2014) across a range of magma compositions using published data on well-characterised samples. The authors show that for magma compositions outside of the calc-alkaline and intermediate to silicic range used in the preliminary calibration, fO2 values calculated from Mn-in-apatite vary significantly from independently constrained estimates. These data are used to reiterate our warnings that other controls that are additional to oxygen fugacity are likely to affect Mn partitioning into apatite in some rock types, and particularly so in magmas that lie outside of the range of compositions and conditions used in the calibration. Marks et al. (2016) highlight that temperature may have an especially important effect on Mn partitioning in apatite in some rock types.

  6. Orientation relationship of eutectoid FeAl and FeAl2

    PubMed Central

    Scherf, A.; Kauffmann, A.; Kauffmann-Weiss, S.; Scherer, T.; Li, X.; Stein, F.; Heilmaier, M.

    2016-01-01

    Fe–Al alloys in the aluminium range of 55–65 at.% exhibit a lamellar microstructure of B2-ordered FeAl and triclinic FeAl2, which is caused by a eutectoid decomposition of the high-temperature Fe5Al8 phase, the so-called ∊ phase. The orientation relationship of FeAl and FeAl2 has previously been studied by Bastin et al. [J. Cryst. Growth (1978 ▸), 43, 745] and Hirata et al. [Philos. Mag. Lett. (2008 ▸), 88, 491]. Since both results are based on different crystallographic data regarding FeAl2, the data are re-evaluated with respect to a recent re-determination of the FeAl2 phase provided by Chumak et al. [Acta Cryst. (2010 ▸), C66, i87]. It is found that both orientation relationships match subsequent to a rotation operation of 180° about a 〈112〉 crystallographic axis of FeAl or by applying the inversion symmetry of the FeAl2 crystal structure as suggested by the Chumak data set. Experimental evidence for the validity of the previously determined orientation relationships was found in as-cast fully lamellar material (random texture) as well as directionally solidified material (∼〈110〉FeAl || solidification direction) by means of orientation imaging microscopy and global texture measurements. In addition, a preferential interface between FeAl and FeAl2 was identified by means of trace analyses using cross sectioning with a focused ion beam. On the basis of these habit planes the orientation relationship between the two phases can be described by (01)FeAl || (114) and [111]FeAl || [10]. There is no evidence for twinning within FeAl lamellae or alternating orientations of FeAl lamellae. Based on the determined orientation and interface data, an atomistic model of the structure relationship of Fe5Al8, FeAl and FeAl2 in the vicinity of the eutectoid decomposition is derived. This model is analysed with respect to the strain which has to be accommodated at the interface of FeAl and FeAl2. PMID:27047304

  7. Acta Astronautica: 60 years of excellence

    NASA Astrophysics Data System (ADS)

    Chern, Rock Jeng-Shing; Chang, Eva Yi-Wei

    2014-12-01

    The Acta Astronautica is 60 years old [1]. Ever since its first publication in 1955 with the title Astronautica Acta (from 1955 to 1973), 2014 is the 60th year of Acta Astronautica (from 1955 to present). Fig. 1 is a poster to manifest the remarkable milestone during the 65th IAC held in Toronto, Canada on 29 September to 3 October 2014. Under the auspices of the IAA's Publications and Communication Committee, and the seamless cooperation and strong support of IAA, Editor-in-Chief, Co-Editors, Managing Editor, authors, reviewers, readers, publisher and all IAA Academicians, its impact factor and ranking have significant improvements recently. Fig. 2 shows the increase in impact factor from 2008 to 2013. The ranking is 7 out of the 63+ journals in the category of Aerospace Engineering.

  8. Intracellular Induction of Listeria monocytogenes actA Expression

    PubMed Central

    Shetron-Rama, Lynne M.; Marquis, Hélène; Bouwer, H. G. Archie; Freitag, Nancy E.

    2002-01-01

    Following entry into the host cytosol, the bacterial pathogen Listeria monocytogenes dramatically increases the expression of several key virulence factors. The expression of actA, whose protein product is required for L. monocytogenes actin-based intracellular motility, is increased by more than 200-fold in cytosolic bacteria in comparison to broth-grown cultures. Two distinct promoter elements have been reported to regulate actA expression. One promoter is located immediately upstream of actA coding sequences, while the second promoter is contributed by the upstream mpl gene via the generation of an mpl-actA-plcB transcript. A series of L. monocytogenes mutants were constructed to define the contributions of individual promoter elements to actA expression. The intracellular induction of actA expression was found to be dependent upon the actA proximal promoter; the mpl promoter appeared to contribute to the extracellular induction of actA but did not affect intracellular levels of expression. The actA promoter is dependent upon a regulatory factor known as PrfA for transcriptional activation; however, no increase in actA expression was detected following the introduction of a high-affinity PrfA binding site within the actA promoter. The presence of a mutationally activated form of PrfA, known as PrfA*, increased overall actA expression in broth-grown cultures of both wild-type and actA promoter mutant strains, but the levels of induction observed were still approximately 50-fold lower than those observed for intracellularly grown L. monocytogenes. Collectively, these results indicate that the dramatic induction of actA expression that occurs in the host cell cytosol is mediated through a single promoter element. Furthermore, intracellular induction of actA appears to require additional steps or factors beyond those necessary for the activation and binding of PrfA to the actA promoter. PMID:11854187

  9. Advances in membrane protein crystallography: in situ and in meso data collection

    SciTech Connect

    Weyand, Simone; Tate, Christopher G.

    2015-05-23

    Membrane protein structural biology has made tremendous advances over the last decade but there are still many challenges associated with crystallization, data collection and structure determination. Two independent groups, Axford et al. [(2015), Acta Cryst. D71, 1228–1237] and Huang et al. [(2015), Acta Cryst. D71, 1238–1256], have published methods that make a major contribution to addressing these challenges.

  10. Entering the 60th year of Acta Astronautica

    NASA Astrophysics Data System (ADS)

    Chang, Yi-Wei; Chern, Jeng-Shing; Marec, Jean-Pierre

    2014-04-01

    The Acta Astronautica Journal was firstly published in 1955 as the official Journal of the International Astronautical Federation (IAF) with the title Astronautica Acta. It is entering its 60th year in 2014. In 1962, the Astronautica Acta became the official Journal of the International Academy of Astronautics (IAA) established in 1960. A total of 18 volumes had been published from 1955 to 1973 under the leadership of three Editor-in-Chiefs: F. Hecht, Theodore von Karman, and Martin Summerfield. In 1974, A.K. Oppenheim became the new Editor-in-Chief and several evolved changes were performed including change of the title to Acta Astronautica (for grammatical correctness), cover page change, and format change. From 1974 to 2010, another three Editor-in-Chiefs led the journal with 67 volumes published. They were A.K. Oppenheim, Jean-Pierre Marec, and Rupert Gerzer. The current Editor-in-Chief Jeng-Shing Chern (Rock) took over the job from 2011. Total pages and articles published in 2012 are 3586 and 356, respectively. Currently, the Acta Astronautica Editorial Board consists of one Editor-in-Chief, 15 Co-Editors, one Managing Editor and one Honorary Editor-in-Chief (Jean-Pierre Marec). After 59 years, the Acta Astronautica has become a well-known journal worldwide. Its current rank and impact factor are 7/63 and 0.701, respectively. This paper presents some of the details as well as new strategies and steps. In particular, supports from the IAA Academicians are mandatory and most welcome.

  11. Elsevier/Spectrochimica Acta Atomic Spectroscopy Award 2014

    NASA Astrophysics Data System (ADS)

    Omenetto, Nicolo'; de Loos, Greet

    2016-03-01

    This is to announce the 2014 Elsevier/Spectrochimica Acta Award, the annual award honoring the most significant article(s) published in a volume. Elsevier makes this award on behalf of Spectrochimica Acta, Part B, to encourage the publication of top articles in this journal. All papers published during one year are considered for this award and the Editorial Advisory Board and the Guest Editor(s) of the special issue(s) are responsible for the selection. The award consists of a monetary prize of 1000 together with a presentation certificate.

  12. Elsevier/Spectrochimica Acta Atomic Spectroscopy Award 2013

    NASA Astrophysics Data System (ADS)

    Omenetto, Nicolo'; de Loos, Greet

    2015-01-01

    This is to announce the 2013 Elsevier/Spectrochimica Acta Award, the annual award honoring the most significant article(s) published in a volume. Elsevier makes this award on behalf of Spectrochimica Acta, Part B, to encourage the publication of top articles in this journal. All papers published during one year are considered for this award and the Editorial Advisory Board and the Guest Editor(s) of the special issue(s) are responsible for the selection. The award consists of a monetary prize of 1000 together with a presentation certificate.

  13. Citation Analysis of "Geochimica et Cosmochimica Acta," 1951-1960.

    ERIC Educational Resources Information Center

    Lifshin, Arthur

    1993-01-01

    A citation analysis of the first 10 years of "Geochimica et Cosmochimica Acta" from 1951 to 1960 is described. A shift from German to English language citations and the emerging importance of the journal in the field, which is undergoing a change resulting from technological innovation, are shown. Tables and graphs are included. (EAM)

  14. Localization of the ActA polypeptide of Listeria monocytogenes in infected tissue culture cell lines: ActA is not associated with actin "comets".

    PubMed Central

    Niebuhr, K; Chakraborty, T; Rohde, M; Gazlig, T; Jansen, B; Köllner, P; Wehland, J

    1993-01-01

    The ActA protein of the gram-positive pathogen Listeria monocytogenes is a 90-kDa polypeptide required for interaction of the bacteria with components of the host cell microfilament system to generate intra- and intercellular movement. To study the localization, distribution, and expression of the ActA polypeptide in L. monocytogenes grown either in broth culture or in infected tissue culture cells, we first isolated ActA by monoclonal antibody-based immunoaffinity chromatography. Polyclonal rabbit antisera raised against purified ActA revealed that ActA was associated with the cell wall and exposed on the surface of the bacteria, readily accessible to ActA antibodies. In contrast, a C-terminally truncated ActA1 polypeptide expressed by the isogenic actA1 mutant was detected only in the supernatant fluids. Immunofluorescence microscopy and electron microscopic studies using immunogold labeling showed that ActA was present on the surface of the bacteria infecting PtK2 and J774 cells at all stages of the infection cycle and was not found to be associated with the actin "tail" of individual bacteria. For the isogenic actA1 mutant strain, which grew as microcolonies within infected cells, only diffuse staining of the secreted ActA1 polypeptide in the host cytoplasm was observed. The ActA polypeptide therefore appears to be required in the initiation of actin accumulation by the bacterium and is apparently not directly involved in the generation of the actin tail. Analysis of strains of several L. monocytogenes serotypes indicated microheterogeneity in the molecular weights of the ActA polypeptides of individual strains and led to the detection of a serotype 3a strain that does not produce ActA. Images PMID:8514381

  15. Aortic Disease Presentation and Outcome Associated with ACTA2 mutations

    PubMed Central

    Regalado, Ellen S.; Guo, Dongchuan; Prakash, Siddharth; Bensend, Tracy A.; Flynn, Kelly; Estrera, Anthony; Safi, Hazim; Liang, David; Hyland, James; Child, Anne; Arno, Gavin; Boileau, Catherine; Jondeau, Guillaume; Braverman, Alan; Moran, Rocio; Morisaki, Takayuki; Morisaki, Hiroko; Consortium, Montalcino Aortic; Pyeritz, Reed; Coselli, Joseph; LeMaire, Scott; Milewicz, Dianna M.

    2015-01-01

    Background ACTA2 mutations are the major cause of familial thoracic aortic aneurysms and dissections. We sought to characterize these aortic diseases in a large case series of individuals with ACTA2 mutations. Methods and Results Aortic disease, management, and outcome associated with the first aortic event (aortic dissection or aneurysm repair) were abstracted from the medical records of 277 individuals with 41 various ACTA2 mutations. Aortic events occurred in 48% of these individuals, with the vast majority presenting with thoracic aortic dissections (88%) associated with 25% mortality. Type A dissections were more common than type B dissections (54% versus 21%), but the median age of onset of type B dissections was significantly younger than type A dissections (27 years, IQR 18–41 versus 36 years, IQR 26–45). Only 12% of aortic events were repair of ascending aortic aneurysms, which variably involved the aortic root, ascending aorta and aortic arch. Overall cumulative risk of an aortic event at age 85 years was 0.76 (95% CI 0.64, 0.86). After adjustment for intra-familial correlation, gender and race, mutations disrupting p.R179 and p.R258 were associated with significantly increased risk for aortic events, whereas p.R185Q and p.R118Q mutations showed significantly lower risk of aortic events compared to other mutations. Conclusions ACTA2 mutations are associated with high risk of presentation with an acute aortic dissection. The lifetime risk for an aortic event is only 76%, suggesting that additional environmental or genetic factors play a role in expression of aortic disease in individuals with ACTA2 mutations. PMID:25759435

  16. Response to comments on the papers recently published by Kalaivani et al.

    NASA Astrophysics Data System (ADS)

    Kalaivani, D.; Jayaraman, D.; Joseph, V.

    2016-04-01

    We argue that the crystal 1. L-lysinium succinate (LLMS) (D. Kalaivani et al J. Cryst. Growth 426 (2015) 135-140), 2. Zinc chloride doped lysinium succinate (ZnCl2-Lls) (D. Kalaivani et al. J. Cryst. Growth 428 (2015) 24-28) are not a dubious crystal. EDAX is the primary tool for analyzing the presence of all the elements except lighter elements.

  17. Cerebral arteriopathy associated with Arg179His ACTA2 mutation

    PubMed Central

    Amans, Matthew R; Stout, Charles; Fox, Christine; Narvid, Jared; Hetts, Steven W; Cooke, Daniel L; Higashida, Randall T; Dowd, Christopher F; McSwain, Hugh; Halbach, Van V

    2013-01-01

    ACTA2 mutations have recently been shown to cause a multisystem smooth muscle dysfunction syndrome that may result in pediatric stroke. We report a case of ACTA2 mutation in a 3-year-old girl presenting with acute ischemic stroke and provide high resolution imaging of the cerebral arteries demonstrating novel findings of multiple tiny aneurysms (particularly in the posterior circulation), as well as the more characteristic imaging phenotype of straightened and narrowed proximal intracranial vessels, dilated cervical vessels and occlusion of the M1 MCA segment without lenticulostriate collateral formation. This newly identified disease should be added to the differential diagnosis of pediatric stroke and cerebral vasculopathy. Neuroradiologists, interventionalists, surgeons and neurologists should become familiar with this rare disease and its clinical sequelae. PMID:24293535

  18. Cerebral arteriopathy associated with Arg179His ACTA2 mutation.

    PubMed

    Amans, Matthew R; Stout, Charles; Fox, Christine; Narvid, Jared; Hetts, Steven W; Cooke, Daniel L; Higashida, Randall T; Dowd, Christopher F; McSwain, Hugh; Halbach, Van V

    2013-01-01

    ACTA2 mutations have recently been shown to cause a multisystem smooth muscle dysfunction syndrome that may result in pediatric stroke. We report a case of ACTA2 mutation in a 3-year-old girl presenting with acute ischemic stroke and provide high resolution imaging of the cerebral arteries demonstrating novel findings of multiple tiny aneurysms (particularly in the posterior circulation), as well as the more characteristic imaging phenotype of straightened and narrowed proximal intracranial vessels, dilated cervical vessels and occlusion of the M1 MCA segment without lenticulostriate collateral formation. This newly identified disease should be added to the differential diagnosis of pediatric stroke and cerebral vasculopathy. Neuroradiologists, interventionalists, surgeons and neurologists should become familiar with this rare disease and its clinical sequelae. PMID:24293535

  19. Cerebral arteriopathy associated with Arg179His ACTA2 mutation.

    PubMed

    Amans, Matthew R; Stout, Charles; Fox, Christine; Narvid, Jared; Hetts, Steven W; Cooke, Daniel L; Higashida, Randall T; Dowd, Christopher F; McSwain, Hugh; Halbach, Van V

    2014-11-01

    ACTA2 mutations have recently been shown to cause a multisystem smooth muscle dysfunction syndrome that may result in pediatric stroke. We report a case of ACTA2 mutation in a 3-year-old girl presenting with acute ischemic stroke and provide high resolution imaging of the cerebral arteries demonstrating novel findings of multiple tiny aneurysms (particularly in the posterior circulation), as well as the more characteristic imaging phenotype of straightened and narrowed proximal intracranial vessels, dilated cervical vessels and occlusion of the M1 MCA segment without lenticulostriate collateral formation. This newly identified disease should be added to the differential diagnosis of pediatric stroke and cerebral vasculopathy. Neuroradiologists, interventionalists, surgeons and neurologists should become familiar with this rare disease and its clinical sequelae. PMID:24353327

  20. Errors in Crystal structure of HINT from Helicobacter pylori

    PubMed Central

    Maize, Kimberly M.

    2016-01-01

    Inaccuracies in the article, Crystal structure of HINT from Helicobacter pylori by Tarique et al. [(2016) Acta Cryst. F72, 42–48] are presented, and a brief history of HINT nomenclature is discussed. PMID:27050269

  1. Langkocyclines: novel angucycline antibiotics from Streptomyces sp. Acta 3034(*).

    PubMed

    Kalyon, Bahar; Tan, Geok-Yuan A; Pinto, John M; Foo, Cheau-Yee; Wiese, Jutta; Imhoff, Johannes F; Süssmuth, Roderich D; Sabaratnam, Vikineswary; Fiedler, Hans-Peter

    2013-10-01

    Langkocyclines A1-A3 and B1 and B2, five new angucycline antibiotics produced by Streptomyces sp. Acta 3034, were detected in the course of our HPLC-diode array screening. The producing strain was isolated from the rhizospheric soil of a Clitorea sp. collected from Burau Bay, Langkawi, Malaysia, and was characterized by morphological, physiological and chemotaxonomic features in addition to 16S ribosomal RNA gene sequence information. Strain Acta 3034 is closely related to Streptomyces psammoticus NBRC 13971(T) and Streptomyces lanatus NBRC 12787(T). Langkocyclines consist of an angular tetracyclic benz[a]anthracene skeleton and hydrolyzable O-glycosidic sugar moieties. The yellow-colored A-type langkocyclines differ in their aglycon from the blue-lilac-colored B-type langkocyclines. The A-type langkocycline aglycon is identical to that of aquayamycin and urdamycin A. The chemical structures of the langkocyclines were elucidated by HR-MS, 1D and 2D NMR experiments. They are biologically active against Gram-positive bacteria and exhibit a moderate antiproliferative activity against various human tumor cell lines. PMID:23820614

  2. Comment on "Experimental study of the orientation dependence of indium incorporation in GaInN" [J. Cryst. Growth 433 (2016) 7-12

    NASA Astrophysics Data System (ADS)

    Monavarian, Morteza

    2016-07-01

    The authors of the title paper (J. Cryst. Growth 433 (2016) 7-12) reported on experimental comparison of indium incorporation efficiency in wide variety of orientations tilted from the basal plane toward a-plane (a-family planes) or m-plane (m-family planes) and some mixed planes. Despite a good investigation and useful information reported in this manuscript, some points of criticism, concerning the inclination angle calculations, optical characterizations of the layers, and the final conclusions are highlighted in this comment to consider.

  3. Smooth Muscle α Actin (Acta2) and Myofibroblast Function during Hepatic Wound Healing

    PubMed Central

    Rockey, Don C.; Weymouth, Nate; Shi, Zengdun

    2013-01-01

    Smooth muscle α actin (Acta2) expression is largely restricted to smooth muscle cells, pericytes and specialized fibroblasts, known as myofibroblasts. Liver injury, associated with cirrhosis, induces transformation of resident hepatic stellate cells into liver specific myofibroblasts, also known as activated cells. Here, we have used in vitro and in vivo wound healing models to explore the functional role of Acta2 in this transformation. Acta2 was abundant in activated cells isolated from injured livers but was undetectable in quiescent cells isolated from normal livers. Both cellular motility and contraction were dramatically increased in injured liver cells, paralleled by an increase in Acta2 expression, when compared with quiescent cells. Inhibition of Acta2 using several different techniques had no effect on cytoplasmic actin isoform expression, but led to reduced cellular motility and contraction. Additionally, Acta2 knockdown was associated with a significant reduction in Erk1/2 phosphorylation compared to control cells. The data indicate that Acta2 is important specifically in myofibroblast cell motility and contraction and raise the possibility that the Acta2 cytoskeleton, beyond its structural importance in the cell, could be important in regulating signaling processes during wound healing in vivo. PMID:24204762

  4. Reply to the comment by Wu et al. (2016) on "Behavior of Re and Os during contact between an aqueous solution and oil: Consequences for the application of the Re-Os geochronometer to petroleum" [Geochim. Cosmochim. Acta 158 (2015) 1-21

    NASA Astrophysics Data System (ADS)

    Reisberg, Laurie; Michels, Raymond; Mahdaoui, Fatima

    2016-08-01

    We reply here to the questions raised by Wu et al. concerning the results published by Mahdaoui et al. (2015). This paper describes experiments in which aqueous solutions containing ReO4- and OsCl62- were brought in contact with natural oils at various ranges of concentration, time and temperature. The main observation is that the transfer of Re and Os to oils is very efficient under all experimental conditions. Wu et al. argue that thermodynamic equilibrium was not achieved in these experiments as apparent partition coefficients are inconsistent. They conclude that the experiments were flawed by possible leaking of reactors and that the conclusions by Mahdaoui et al. (2015) were not justified. In the following reply we explain that Mahdaoui et al. (2015) never claimed that thermodynamic equilibrium was achieved. Any calculations or considerations in this context are therefore meaningless. We recall the objectives of our publication, which were to experimentally test the behavior of ReO4- and OsCl6- (two plausible chemical forms of Re and Os in deep aquifers of petroleum systems) in aqueous solution-oil systems. To our knowledge these are the first experiments of their kind. The parameters that could influence the precision and reproducibility of our results were discussed in detail in Mahdaoui et al. (2015). The essential point is that all 60 of the experiments provide evidence of substantial transfer of Re and Os from water to oil. In contrast to what was mistakenly understood by Wu et al., the paper does not challenge the use of Re-Os to date geological events affecting petroleum. Instead, by providing a mechanism that might allow Os isotopic homogenization on a basin-wide scale, a critical step missing from most current models, it offers a possible explanation of how Re-Os geochronology in oils could potentially work. More generally, our study suggests that transfer of Re and Os from waters to oil may be an important phenomenon that should not be overlooked.

  5. Acta Informatica Medica Is Indexed In Pubmed And Archived In Pubmed Central

    PubMed Central

    Masic, Izet

    2013-01-01

    Acta Informatica Medica journal has been accepted for archiving in PubMed Central from 2011 onward. The journal started in 1993 as the official journal of the Society for Medical Informatics of Bosnia and Herzegovina. During the last 3 years, Acta Informatica Medica has een included in almost all prestigious online databases, including PubMed, Scopus and EMBASE. The 20th volume of the journal is fully international, with papers from 18 countries. PMID:23572852

  6. Beitraege zur Astronomiegeschichte, Band 5 (Acta Historica Astronomiae Vol. 18)

    NASA Astrophysics Data System (ADS)

    Duerbeck, H. W.; Dick, W. R.; Hamel, J.

    2003-01-01

    The 18th volume of the Acta Historica Astronomiae is at the same time the sixth collection of essays on the history of astronomy ("Beitræge zur Astronomiegeschichte, Band 6"), edited by the historians of astronomy W.R. Dick (Potsdam) and J. Hamel (Berlin). Besides a few short notices and book reviews, the book contains eight major articles, which deal with astronomical topics covering the time from the 16th to the 19th centuries. The first article by Michael Weichenhan (Berlin) deals with "the invention of the disk-shaped earth: a chapter of Copernican apologetics". The author shows that the concept of a "disc-shaped Earth" was by no means widespread in the middle ages, but restricted to the father of the church Lactantius and some adherents. Nevertheless, it was used by adherents of Copernicus to show the absurd consequences of a strictly literal biblical interpretation -- here concerning the Earth's shape, disc versus sphere, there the geocentric versus the heliocentric system. This thorough philosophical study is followed by two very short articles. "The measuring accuracy of Tycho's large sextant" by Johann Wünsch investigates O-C values of planet-star distances, as based on Tycho's observations as published in the Historia Coelestis (a compilation, which is also based on Tycho's manuscripts, and published in Regensburg in 1672). The result is that standard deviations are 80 arcseconds for Saturn and 89 arcseconds for Jupiter and Mars, an unexpectedly poor result in view of the general opinion that Tycho was famous for his precision work. "The astronomer Christoph Grienberger and the Galilei trial" by Franz Daxecker deals with a Jesuit astronomer who was both the disciple and successor of the mathematician-astronomer Christopher Clavius at the Collegium Romanum. While he was inclined to Galilei early on, he was forced to propagate Aristotelian doctrine. The brief article is very concise, but extremely tiresome to read (3 pages of pure text are embellished by

  7. De Novo ACTA2 Mutation Causes a Novel Syndrome of Multisystemic Smooth Muscle Dysfunction

    PubMed Central

    Milewicz, Dianna M.; Østergaard, John R.; Ala-Kokko, Leena M.; Khan, Nadia; Grange, Dorothy K.; Mendoza-Londono, Roberto; Bradley, Timothy J.; Olney, Ann Haskins; Adès, Lesley; Maher, Joseph F.; Guo, Dongchuan; Buja, L. Maximilian; Kim, Dong; Hyland, James C.; Regalado, Ellen S.

    2011-01-01

    Smooth muscle cells (SMCs) contract to perform many physiological functions, including regulation of blood flow and pressure in arteries, contraction of the pupils, peristalsis of the gut and voiding of the bladder. SMC lineage in these organs is characterized by cellular expression of the SMC isoform of α-actin, encoded by the ACTA2 gene. We report here on a unique and de novo mutation in ACTA2, R179H, that causes a syndrome characterized by dysfunction of SMCs throughout the body, leading to aortic and cerebrovascular disease, fixed dilated pupils, hypotonic bladder, malrotation and hypoperistalsis of the gut and pulmonary hypertension. PMID:20734336

  8. Review of the Journal Acta Informatica Medica During Eight Year Period: 2008-2015

    PubMed Central

    Masic, Izet; Begic, Edin; Zunic, Lejla

    2016-01-01

    Introduction: Acta Informatica Medica is official journal of the Academy for Medical Sciences of Bosnia and Herzegovina (from 2014 Acta Inform Med is published bimonthly). Aim: To evaluate journal “Acta Informatica Medica” in 2015 and compare findings to previous years. Material and methods: The study has retrospective and descriptive character, and included the period 2008-2015 (included 36 issues of journal). Results: A total of 83 (average 13,8 articles per journal) articles were published in Acta Informatica Medica during 2015. Analyzing the type of articles, original articles are present in majority during 2015 (68,6%) (by analyzing last eight years, 310 (67,3%) were original). During 2015, 27,7% of articles were related to the applied of Health informatics in field of clinical medicine, 63,8% preclinical medicine and 8,5% to public health. Collaboration rate in 2015 was 0,84. Most often the time required for decision on acceptance of article in 2015 is between 50 and 60 days. Articles came from 16 countries. According to scimagojr.com for 2014, Acta Informatica Medica has SCImago Journal Rank 0,166, while Cites / Doc. (2 years) parameter (widely used as impact index) is 0,70. According to GoogleScholar, h5 index is 11 and h5 median is 19. We analyzed the Acta Informatica Medica by “Publish or Perish” software - H index was 14, g index was 19 and e-index was 10.39. Conclusion: Year after year the highest number of original articles are published. Although the period of revision of articles is acceptable, the period up to two months is certainly not long, the goal is to reduce this period. Although the magazine in mentioned field found its place, although it is indexed in numerous bases, including: PubMed, PubMed Central, SCOPUS, EMBASE, EBSCO, etc. The main goal for next year is that the magazine becomes part of the Web of Science. Imperative is further internationalization of the magazine. PMID:27147796

  9. Citation analysis of Acta Dermatovenerologica Alpina, Pannonica et Adriatica: 1992-2011.

    PubMed

    Ostrbenk, Anja; Skamperle, Mateja; Poljak, Mario

    2012-09-01

    Acta Dermatovenerologica Alpina, Pannonica et Adriatica is small regional professional journal that started publishing in 1992. Despite the journal's relatively narrow readership, it has significantly improved its quality and global profile during the last 20 years, as shown in this citation analysis update. Since 1992, 654 bibliographical items have been published. Among these, 545 (83.4%) were considered WoS citable items and 109 (16.6%) WoS noncitable items. Since 2008, 90% of all published items have been considered WoS citable items and received an average of 1.9 citations per item. The predicted Acta Dermatovenerol APA impact factor calculated using data from a Cited Reference search of Thomson Scientific's Web of Science has shown steep and continuous increase since 2006, when the journal acquired full indexing status in Index Medicus/Medline, and has been above 0.5 since 2008. PMID:23267871

  10. Novel MYH11 and ACTA2 mutations reveal a role for enhanced TGFβ signaling in FTAAD

    PubMed Central

    Renard, Marjolijn; Callewaert, Bert; Baetens, Machteld; Campens, Laurence; MacDermot, Kay; Fryns, Jean-Pierre; Bonduelle, Maryse; Dietz, Hal; Gaspar, Isabel Mendes; Cavaco, Diogo; Stattin, Eva-Lena; Schrander-Stumpel, Constance; Coucke, Paul; Loeys, Bart; De Paepe, Anne; De Backer, Julie

    2011-01-01

    Background Thoracic aortic aneurysm / dissection (TAAD) is a common phenotype that may occur as an isolated manifestation or within the constellation of a defined syndrome. In contrast to syndromic TAAD, the elucidation of the genetic basis of isolated TAAD has only recently started. To date, defects have been found in genes encoding extracellular matrix proteins (fibrillin-1, FBN1; collagen type III alpha 1, COL3A1), proteins involved in transforming growth factor beta (TGFβ) signaling (TGFβ receptor 1 and 2, TGFBR1/2; and SMAD3) or proteins that build up the contractile apparatus of aortic smooth muscle cells (myosin heavy chain 11, MYH11; smooth muscle actin alpha 2, ACTA2; and MYLK). Methods and results In 110 non-syndromic TAAD patients that previously tested negative for FBN1 or TGFBR1/2 mutations, we identified 7 ACTA2 mutations in a cohort of 43 familial TAAD patients, including 2 premature truncating mutations. Sequencing of MYH11 revealed an in frame splice-site alteration in one out of two probands with TAA(D) associated with PDA but none in the series of 22 probands from the cohort of 110 patients with non-syndromic TAAD. Interestingly, immunohistochemical staining of aortic biopsies of a patient and a family member with MYH11 and patients with ACTA2 missense mutations showed upregulation of the TGFβ signaling pathway. Conclusions MYH11 mutations are rare and typically identified in patients with TAAD associated with PDA. ACTA2 mutations were identified in 16% of a cohort presenting familial TAAD. Different molecular defects in TAAD may account for a different pathogenic mechanism of enhanced TGFβ signaling. PMID:21937134

  11. Re-refinement of 4xan: hen egg-white lysozyme with carboplatin in sodium bromide solution

    PubMed Central

    Tanley, Simon W. M.; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; Helliwell, John R.

    2016-01-01

    A re-refinement of 4xan, hen egg-white lysozyme (HEWL) with carboplatin crystallized in NaBr solution, has been made and is published here as an addendum to Tanley et al. [(2014), Acta Cryst. F70, 1135–1142]. This follows a previous re-refinement and PDB deposition (4yem) by Shabalin et al. [(2015), Acta Cryst. D71, 1965–1979]. The critical evaluation of the original PDB deposition (4xan), and the subsequent critical examination of the re-refined structure (4yem), has led to an improved model (PDB code 5hmj). PMID:26919531

  12. Myopathy-inducing mutation H40Y in ACTA1 hampers actin filament structure and function.

    PubMed

    Chan, Chun; Fan, Jun; Messer, Andrew E; Marston, Steve B; Iwamoto, Hiroyuki; Ochala, Julien

    2016-08-01

    In humans, more than 200 missense mutations have been identified in the ACTA1 gene. The exact molecular mechanisms by which, these particular mutations become toxic and lead to muscle weakness and myopathies remain obscure. To address this, here, we performed a molecular dynamics simulation, and we used a broad range of biophysical assays to determine how the lethal and myopathy-related H40Y amino acid substitution in actin affects the structure, stability, and function of this protein. Interestingly, our results showed that H40Y severely disrupts the DNase I-binding-loop structure and actin filaments. In addition, we observed that normal and mutant actin monomers are likely to form distinctive homopolymers, with mutant filaments being very stiff, and not supporting proper myosin binding. These phenomena underlie the toxicity of H40Y and may be considered as important triggering factors for the contractile dysfunction, muscle weakness and disease phenotype seen in patients. PMID:27112274

  13. Langkolide, a 32-membered macrolactone antibiotic produced by Streptomyces sp. Acta 3062.

    PubMed

    Helaly, Soleiman E; Kulik, Andreas; Zinecker, Heidi; Ramachandaran, Kamalanathan; Tan, Geok Yuan Annie; Imhoff, Johannes F; Süssmuth, Roderich D; Fiedler, Hans-Peter; Sabaratnam, Vikineswary

    2012-06-22

    A new 32-membered macrolactone antibiotic, named langkolide, was isolated from the mycelium of Streptomyces sp. Acta 3062. The langkolide structure was determined by HR-MS and 1D and 2D NMR as a 32-membered macrolactone connected from an overhanging polyketide tail to a naphthoquinone unit mediated by two carbohydrate moieties. The producing strain was isolated from a rhizosphere soil of Clitorea sp. collected at Burau Bay, Langkawi, Malaysia, and was characterized by its morphological and chemotaxonomic features in addition to its 16S rRNA gene sequence. It was identified as a member of the Streptomyces galbus clade. Langkolide exhibited various bioactivities including antimicrobial and antiproliferative activities. Furthermore, langkolide inhibited human recombinant phosphodiesterase 4 with an IC(50) value of 0.48 μM. PMID:22642587

  14. Polarization in RMnO3 multiferroics.

    PubMed

    Pirogov, A N

    2016-02-01

    Some comments on the review by Sim et al. [(2016). Acta Cryst. B72, 3-19] are given. The review is devoted to hexagonal multiferroics RMnO3, in which there are ferroelectric and magnetic orders. Strong interaction between these orders causes a series of interesting properties of multiferroics. PMID:26830791

  15. Publications on Albert Einstein, cosmology and theory of relativity in Acta Historica Astronomiae. An annotated bibliography. (German Title: Publikationen zu Albert Einstein, Kosmologie und Relativitätstheorie in Acta Historica Astronomiae. Eine annotierte Bibliographie)

    NASA Astrophysics Data System (ADS)

    Dick, Wolfgang R.

    This bibliography lists 15 publications which appeared in volumes 1 to 26 (1998 to 2005) in the series ``Acta Historica Astronomiae''. They concern life and work of Albert Einstein as well as the history of and modern developments in the theory of relativity and relativistic cosmology.

  16. Avoidance of Autophagy Mediated by PlcA or ActA Is Required for Listeria monocytogenes Growth in Macrophages

    PubMed Central

    Mitchell, Gabriel; Ge, Liang; Huang, Qiongying; Chen, Chen; Kianian, Sara; Roberts, Mary F.; Schekman, Randy

    2015-01-01

    Listeria monocytogenes is a facultative intracellular pathogen that escapes from phagosomes and grows in the cytosol of infected host cells. Most of the determinants that govern its intracellular life cycle are controlled by the transcription factor PrfA, including the pore-forming cytolysin listeriolysin O (LLO), two phospholipases C (PlcA and PlcB), and ActA. We constructed a strain that lacked PrfA but expressed LLO from a PrfA-independent promoter, thereby allowing the bacteria to gain access to the host cytosol. This strain did not grow efficiently in wild-type macrophages but grew normally in macrophages that lacked ATG5, a component of the autophagy LC3 conjugation system. This strain colocalized more with the autophagy marker LC3 (42% ± 7%) at 2 h postinfection, which constituted a 5-fold increase over the colocalization exhibited by the wild-type strain (8% ± 6%). While mutants lacking the PrfA-dependent virulence factor PlcA, PlcB, or ActA grew normally, a double mutant lacking both PlcA and ActA failed to grow in wild-type macrophages and colocalized more with LC3 (38% ± 5%). Coexpression of LLO and PlcA in a PrfA-negative strain was sufficient to restore intracellular growth and decrease the colocalization of the bacteria with LC3. In a cell-free assay, purified PlcA protein blocked LC3 lipidation, a key step in early autophagosome biogenesis, presumably by preventing the formation of phosphatidylinositol 3-phosphate (PI3P). The results of this study showed that avoidance of autophagy by L. monocytogenes primarily involves PlcA and ActA and that either one of these factors must be present for L. monocytogenes growth in macrophages. PMID:25776746

  17. Book Review: Beitraege zur Astronomiegeschichte, Band 5 (Acta Historica Astronomiae Vol. 15)

    NASA Astrophysics Data System (ADS)

    Duerbeck, H. W.; Dick, W. R.; Hamel, J.

    2002-12-01

    The 15th volume of the Acta Historica Astronomiae is at the same time the fifth collection of essays on the history of astronomy (Beitraege zur Astronomiegeschichte, Band 5), edited by the historians of astronomy W.R. Dick (Potsdam) and J. Hamel (Berlin). Besides a few short notices and book reviews, the book contains 11 major articles, which deal with astronomical topics covering the time from the 16th to the 20th centuries. The first article, on the analysis and interpretation of historical horoscopes as a source of the history of science, is based on the inaugural lecture of its author, Guenther Oestmann. After a general introduction, which deals with the principles of horoscope making, the author discusses the horoscope of Count Heinrich Ranzau (1526-1598), the Danish governor of Schleswig-Holstein, who was a friend of Tycho Brahe. Oestmann shows that the astronomical-mathematical basis of such a horoscope can be reconstructed and interpreted. However, it is hardly possible to gain an insight in the process how the interpretation of a horoscope was done in detail. The second and third articles, by Franz Daxecker, deal with Athanasius Kircher and Christoph Scheiner, two catholic astronomers of the 17th century. Kircher's Organum Mathematicum is a calculating device that can be used in the fields of arithmetic, geometry, chronology, astronomy, astrology and others. The author provides extracts of the description of the Organum taken from a book by Caspar Schott, which deal with chronology and astronomy. A photograph of the Organum indicates that this tool consists of a set of tables glued on wooden or cardboard, but details of its contents and applications remain pretty obscure for the reader - a few elaborated examples would have been helpful. The second paper deals with the life of Christoph Scheiner SJ, the co-discoverer of sunspots (next to Galileo), after leaving Rome in 1633 - the year of the Galileo trial. Scheiner spent his later years in the Austrian and

  18. Association of a Novel ACTA1 Mutation With a Dominant Progressive Scapuloperoneal Myopathy in an Extended Family

    PubMed Central

    Zukosky, Kristen; Meilleur, Katherine; Traynor, Bryan J.; Dastgir, Jahannaz; Medne, Livija; Devoto, Marcella; Collins, James; Rooney, Jachinta; Zou, Yaqun; Yang, Michele L.; Gibbs, J. Raphael; Meier, Markus; Stetefeld, Joerg; Finkel, Richard S.; Schessl, Joachim; Elman, Lauren; Felice, Kevin; Ferguson, Toby A.; Ceyhan-Birsoy, Ozge; Beggs, Alan H.; Tennekoon, Gihan; Johnson, Janel O.; Bönnemann, Carsten G.

    2015-01-01

    IMPORTANCE New genomic strategies can now be applied to identify a diagnosis in patients and families with previously undiagnosed rare genetic conditions. The large family evaluated in the present study was described in 1966 and now expands the phenotype of a known neuromuscular gene. OBJECTIVE To determine the genetic cause of a slowly progressive, autosomal dominant, scapuloperoneal neuromuscular disorder by using linkage and exome sequencing. DESIGN, SETTING, AND PARTICIPANTS Fourteen affected individuals in a 6-generation family with a progressive scapuloperoneal disorder were evaluated. Participants were examined at pediatric, neuromuscular, and research clinics from March 1, 2005, to May 31, 2014. Exome and linkage were performed in genetics laboratories of research institutions. MAIN OUTCOMES AND MEASURES Examination and evaluation by magnetic resonance imaging, ultrasonography, electrodiagnostic studies, and muscle biopsies (n = 3). Genetic analysis included linkage analysis (n = 17) with exome sequencing (n = 7). RESULTS Clinical findings included progressive muscle weakness in an initially scapuloperoneal and distal distribution, including wrist extensor weakness, finger and foot drop, scapular winging, mild facial weakness, Achilles tendon contractures, and diminished or absent deep tendon reflexes. Both age at onset and progression of the disease showed clinical variability within the family. Muscle biopsy specimens demonstrated type I fiber atrophy and trabeculated fibers without nemaline rods. Analysis of exome sequences within the linkage region (4.8 megabases) revealed missense mutation c.591C>A p.Glu197Asp in a highly conserved residue in exon 4 of ACTA1. The mutation cosegregated with disease in all tested individuals and was not present in unaffected individuals. CONCLUSIONS AND RELEVANCE This family defines a new scapuloperoneal phenotype associated with an ACTA1 mutation. A highly conserved protein, ACTA1 is implicated in multiple muscle

  19. Book Review: Beitraege zur Astronomiegeschichte, Band 5 (Acta Historica Astronomiae Vol. 15)

    NASA Astrophysics Data System (ADS)

    Duerbeck, H. W.; Dick, W. R.; Hamel, J.

    2002-12-01

    The 15th volume of the Acta Historica Astronomiae is at the same time the fifth collection of essays on the history of astronomy (Beitraege zur Astronomiegeschichte, Band 5), edited by the historians of astronomy W.R. Dick (Potsdam) and J. Hamel (Berlin). Besides a few short notices and book reviews, the book contains 11 major articles, which deal with astronomical topics covering the time from the 16th to the 20th centuries. The first article, on the analysis and interpretation of historical horoscopes as a source of the history of science, is based on the inaugural lecture of its author, Guenther Oestmann. After a general introduction, which deals with the principles of horoscope making, the author discusses the horoscope of Count Heinrich Ranzau (1526-1598), the Danish governor of Schleswig-Holstein, who was a friend of Tycho Brahe. Oestmann shows that the astronomical-mathematical basis of such a horoscope can be reconstructed and interpreted. However, it is hardly possible to gain an insight in the process how the interpretation of a horoscope was done in detail. The second and third articles, by Franz Daxecker, deal with Athanasius Kircher and Christoph Scheiner, two catholic astronomers of the 17th century. Kircher's Organum Mathematicum is a calculating device that can be used in the fields of arithmetic, geometry, chronology, astronomy, astrology and others. The author provides extracts of the description of the Organum taken from a book by Caspar Schott, which deal with chronology and astronomy. A photograph of the Organum indicates that this tool consists of a set of tables glued on wooden or cardboard, but details of its contents and applications remain pretty obscure for the reader - a few elaborated examples would have been helpful. The second paper deals with the life of Christoph Scheiner SJ, the co-discoverer of sunspots (next to Galileo), after leaving Rome in 1633 - the year of the Galileo trial. Scheiner spent his later years in the Austrian and

  20. Systematic mutational analysis of the amino-terminal domain of the Listeria monocytogenes ActA protein reveals novel functions in actin-based motility.

    PubMed

    Lauer, P; Theriot, J A; Skoble, J; Welch, M D; Portnoy, D A

    2001-12-01

    The Listeria monocytogenes ActA protein acts as a scaffold to assemble and activate host cell actin cytoskeletal factors at the bacterial surface, resulting in directional actin polymerization and propulsion of the bacterium through the cytoplasm. We have constructed 20 clustered charged-to-alanine mutations in the NH2-terminal domain of ActA and replaced the endogenous actA gene with these molecular variants. These 20 clones were evaluated in several biological assays for phenotypes associated with particular amino acid changes. Additionally, each protein variant was purified and tested for stimulation of the Arp2/3 complex, and a subset was tested for actin monomer binding. These specific mutations refined the two regions involved in Arp2/3 activation and suggest that the actin-binding sequence of ActA spans 40 amino acids. We also identified a 'motility rate and cloud-to-tail transition' region in which nine contiguous mutations spanning amino acids 165-260 caused motility rate defects and changed the ratio of intracellular bacteria associated with actin clouds and comet tails without affecting Arp2/3 activation. Several unusual motility phenotypes were associated with amino acid changes in this region, including altered paths through the cytoplasm, discontinuous actin tails in host cells and the tendency to 'skid' or dramatically change direction while moving. These unusual phenotypes illustrate the complexity of ActA functions that control the actin-based motility of L. monocytogenes. PMID:11886549

  1. Electrostatic and Hydrophobic Interactions Mediate Single-Stranded DNA Recognition and Acta2 Repression by Purine-Rich Element-Binding Protein B.

    PubMed

    Rumora, Amy E; Ferris, Lauren A; Wheeler, Tamar R; Kelm, Robert J

    2016-05-17

    Myofibroblast differentiation is characterized by an increased level of expression of cytoskeletal smooth muscle α-actin. In human and murine fibroblasts, the gene encoding smooth muscle α-actin (Acta2) is tightly regulated by a network of transcription factors that either activate or repress the 5' promoter-enhancer in response to environmental cues signaling tissue repair and remodeling. Purine-rich element-binding protein B (Purβ) suppresses the expression of Acta2 by cooperatively interacting with the sense strand of a 5' polypurine sequence containing an inverted MCAT cis element required for gene activation. In this study, we evaluated the chemical basis of nucleoprotein complex formation between the Purβ repressor and the purine-rich strand of the MCAT element in the mouse Acta2 promoter. Quantitative single-stranded DNA (ssDNA) binding assays conducted in the presence of increasing concentrations of monovalent salt or anionic detergent suggested that the assembly of a high-affinity nucleoprotein complex is driven by a combination of electrostatic and hydrophobic interactions. Consistent with the results of pH titration analysis, site-directed mutagenesis revealed several basic amino acid residues in the intermolecular (R267) and intramolecular (K82 and R159) subdomains that are essential for Purβ transcriptional repressor function in Acta2 promoter-reporter assays. In keeping with their diminished Acta2 repressor activity in fibroblasts, purified Purβ variants containing an R267A mutation exhibited reduced binding affinity for purine-rich ssDNA. Moreover, certain double and triple-point mutants were also defective in binding to the Acta2 corepressor protein, Y-box-binding protein 1. Collectively, these findings establish the repertoire of noncovalent interactions that account for the unique structural and functional properties of Purβ. PMID:27064749

  2. Twenty Years of Society of Medical Informatics of B&H and the Journal Acta Informatica Medica

    PubMed Central

    Masic, Izet

    2012-01-01

    In 2012, Health/Medical informatics profession celebrates five jubilees in Bosnia and Herzegovina: a) Thirty five years from the introduction of the first automatic manipulation of data; b) Twenty five years from establishing Society for Medical Informatics BiH; c) Twenty years from establishing scientific and professional journal of the Society for Medical Informatics of Bosnia and Herzegovina „Acta Informatica Medica“; d) Twenty years from establishing first Cathdra for Medical Informatics on biomedical faculties in Bosnia and Herzegovina and e) Ten years from the introduction of “Distance learning” in medical curriculum. All of the five mentioned activities in the area of Medical informatics had special importance and gave appropriate contribution in the development of Health/Medical informatics in Bosnia And Herzegovina. PMID:23322947

  3. Streptomyces rochei ACTA1551, an Indigenous Greek Isolate Studied as a Potential Biocontrol Agent against Fusarium oxysporum f.sp. lycopersici

    PubMed Central

    Kanini, Grammatiki S.; Katsifas, Efstathios A.; Savvides, Alexandros L.; Karagouni, Amalia D.

    2013-01-01

    Many studies have shown that several Greek ecosystems inhabit very interesting bacteria with biotechnological properties. Therefore Streptomyces isolates from diverse Greek habitats were selected for their antifungal activity against the common phytopathogenic fungus Fusarium oxysporum. The isolate encoded ACTA1551, member of Streptomyces genus, could strongly suppress the fungal growth when examined in antagonistic bioassays in vitro. The isolate was found phylogenetically relative to Streptomyces rochei after analyzing its 16S rDNA sequence. The influence of different environmental conditions, such as medium composition, temperature, and pH on the expression of the antifungal activity was thoroughly examined. Streptomyces rochei ACTA1551 was able to protect tomato seeds from F. oxysporum infection in vivo while it was shown to promote the growth of tomato plants when the pathogen was absent. In an initial effort towards the elucidation of the biochemical and physiological nature of ACTA1551 antifungal activity, extracts from solid streptomycete cultures under antagonistic or/and not antagonistic conditions were concentrated and fractionated. The metabolites involved in the antagonistic action of the isolate showed to be more than one and produced independently of the presence of the pathogen. The above observations could support the application of Streptomyces rochei ACTA1551 as biocontrol agent against F. oxysporum. PMID:23762841

  4. Periodic entanglement III: tangled degree-3 finite and layer net intergrowths from rare forests.

    PubMed

    Evans, Myfanwy E; Hyde, Stephen T

    2015-11-01

    Entanglements of two-dimensional honeycomb nets are constructed from free tilings of the hyperbolic plane (H2) on triply periodic minimal surfaces. The 2-periodic nets that comprise the structures are guaranteed by considering regular, rare free tilings in H2. This paper catalogues an array of entanglements that are both beautiful and challenging for current classification techniques, including examples that are realized in metal-organic materials. The compactification of these structures to the genus-3 torus is considered as a preliminary method for generating entanglements of finite θ-graphs, potentially useful for gaining insight into the entanglement of the periodic structure. This work builds on previous structural enumerations given in Periodic entanglement Parts I and II [Evans et al. (2013). Acta Cryst. A69, 241-261; Evans et al. (2013). Acta Cryst. A69, 262-275]. PMID:26522409

  5. 4-(3-Fluoro­phen­yl)-1-(propan-2-yl­idene)thio­semicarbazone

    PubMed Central

    Miroslaw, Barbara; Szulczyk, Daniel; Koziol, Anna E.; Struga, Marta

    2011-01-01

    The title compound, C10H12FN3S, crystallizes in the same space group (P21/c) as two polymorphic forms of 4-phenyl-1-(propan-2-yl­idene)thio­semicarbazone [Jian et al. (2005). Acta Cryst. E61, o653–o654; Venkatraman et al. (2005). Acta Cryst. E61, o3914–o3916]. The arrangement of mol­ecules relative to the twofold screw axes is similar to that in the crystal structure of the lower density polymorph. In the solid state, the mol­ecular conformation is stabilized by an intra­molecular N—H⋯N hydrogen bond. The mol­ecules form centrosymmetric R 2 2(8) dimers in the crystal through pairs of N—H⋯S hydrogen bonds. PMID:22220027

  6. The beginnings of Acta Neurochirurgica and the work of Fritz Loew, chief editor from 1958 - 1997. An historical vignette.

    PubMed

    Reulen, Hans-Jürgen; Collmann, Hartmut

    2012-07-01

    Acta Neurochirurgica was founded in 1950, in the difficult time after World War II, by Mario Milletti (Bologna) and Wolfram Sorgo (Innsbruck), and published by Springer press, Vienna. From the beginning the new journal was conceived as an international journal with an impressive list of outstanding neurosurgeons in the editorial board. Only a few years later the issues appeared at irregular intervals due to individual problems of both editors. Wilhelm Tönnis took the initiative to keep the journal alive, when he asked-in consent with Springer press-his staff member Fritz Loew to continue the editorial work and to assemble a new prestigious editorial board. Loew succeeded with both tasks and remained editor-in-chief for nearly 38 years. Initially, all papers were published in the native languages of the authors: English, French, German, Italian and Spanish. With ongoing time the journal accepted manuscripts in English only. The slow progress of this process exemplifies the slow integration of the European countries. In 1971, at the founding meeting of the European Association of Neurosurgical Societies (EANS) in Prague, Acta Neurochirurgica became the official organ of the EANS. Right from the beginning of Acta Neurochirurgica, Supplement volumes were added. Also, the book series Advances and Technical Standards in Neurosurgery is an offspring of Acta Neurochirurgica. Acta Neurochirurgica has become one of the most important neurosurgical journals worldwide. This historical sketch is based on an interview with Fritz Loew, now 91 years old, to which data from the available literature and the Archives of German Neurosurgery, as well as personal information by several colleagues were added. PMID:22581432

  7. Treatment with ActRIIB-mFc Produces Myofiber Growth and Improves Lifespan in the Acta1 H40Y Murine Model of Nemaline Myopathy.

    PubMed

    Tinklenberg, Jennifer; Meng, Hui; Yang, Lin; Liu, Fujun; Hoffmann, Raymond G; Dasgupta, Mahua; Allen, Kenneth P; Beggs, Alan H; Hardeman, Edna C; Pearsall, R Scott; Fitts, Robert H; Lawlor, Michael W

    2016-06-01

    Nemaline myopathies (NMs) are a group of congenital muscle diseases caused by mutations in at least 10 genes and associated with a range of clinical symptoms. NM is defined on muscle biopsy by the presence of cytoplasmic rod-like structures (nemaline rods) composed of cytoskeletal material. Myofiber smallness is also found in many cases of NM and may represent a cause of weakness that can be counteracted by treatment. We have used i.p. injection of activin type IIB receptor (ActRIIB)-mFc (an inhibitor of myostatin signaling) to promote hypertrophy and increase strength in our prior murine work; we therefore tested whether ActRIIB-mFc could improve weakness in NM mice through myofiber hypertrophy. We report a study of ActRIIB-mFc treatment in the Acta1 H40Y mouse model of NM. Treatment of Acta1 H40Y mice produced significant increases in body mass, muscle mass, quadriceps myofiber size, and survival, but other measurements of strength (forelimb grip strength, ex vivo measurements of contractile function) did not improve. Our studies also identified that the complications of urethral obstruction are associated with mortality in male hemizygote Acta1 H40Y mice. The incidence of urethral obstruction and histologic evidence of chronic obstruction (inflammation) were significantly lower in Acta1 H40Y mice that had been treated with ActRIIB-mFc. ActRIIB-mFc treatment produces a mild benefit to the disease phenotype in Acta1 H40Y mice. PMID:27102768

  8. Vascular disease-causing mutation R258C in ACTA2 disrupts actin dynamics and interaction with myosin

    PubMed Central

    Lu, Hailong; Fagnant, Patricia M.; Bookwalter, Carol S.; Joel, Peteranne; Trybus, Kathleen M.

    2015-01-01

    Point mutations in vascular smooth muscle α-actin (SM α-actin), encoded by the gene ACTA2, are the most prevalent cause of familial thoracic aortic aneurysms and dissections (TAAD). Here, we provide the first molecular characterization, to our knowledge, of the effect of the R258C mutation in SM α-actin, expressed with the baculovirus system. Smooth muscles are unique in that force generation requires both interaction of stable actin filaments with myosin and polymerization of actin in the subcortical region. Both aspects of R258C function therefore need investigation. Total internal reflection fluorescence (TIRF) microscopy was used to quantify the growth of single actin filaments as a function of time. R258C filaments are less stable than WT and more susceptible to severing by cofilin. Smooth muscle tropomyosin offers little protection from cofilin cleavage, unlike its effect on WT actin. Unexpectedly, profilin binds tighter to the R258C monomer, which will increase the pool of globular actin (G-actin). In an in vitro motility assay, smooth muscle myosin moves R258C filaments more slowly than WT, and the slowing is exacerbated by smooth muscle tropomyosin. Under loaded conditions, small ensembles of myosin are unable to produce force on R258C actin-tropomyosin filaments, suggesting that tropomyosin occupies an inhibitory position on actin. Many of the observed defects cannot be explained by a direct interaction with the mutated residue, and thus the mutation allosterically affects multiple regions of the monomer. Our results align with the hypothesis that defective contractile function contributes to the pathogenesis of TAAD. PMID:26153420

  9. Vascular disease-causing mutation R258C in ACTA2 disrupts actin dynamics and interaction with myosin.

    PubMed

    Lu, Hailong; Fagnant, Patricia M; Bookwalter, Carol S; Joel, Peteranne; Trybus, Kathleen M

    2015-08-01

    Point mutations in vascular smooth muscle α-actin (SM α-actin), encoded by the gene ACTA2, are the most prevalent cause of familial thoracic aortic aneurysms and dissections (TAAD). Here, we provide the first molecular characterization, to our knowledge, of the effect of the R258C mutation in SM α-actin, expressed with the baculovirus system. Smooth muscles are unique in that force generation requires both interaction of stable actin filaments with myosin and polymerization of actin in the subcortical region. Both aspects of R258C function therefore need investigation. Total internal reflection fluorescence (TIRF) microscopy was used to quantify the growth of single actin filaments as a function of time. R258C filaments are less stable than WT and more susceptible to severing by cofilin. Smooth muscle tropomyosin offers little protection from cofilin cleavage, unlike its effect on WT actin. Unexpectedly, profilin binds tighter to the R258C monomer, which will increase the pool of globular actin (G-actin). In an in vitro motility assay, smooth muscle myosin moves R258C filaments more slowly than WT, and the slowing is exacerbated by smooth muscle tropomyosin. Under loaded conditions, small ensembles of myosin are unable to produce force on R258C actin-tropomyosin filaments, suggesting that tropomyosin occupies an inhibitory position on actin. Many of the observed defects cannot be explained by a direct interaction with the mutated residue, and thus the mutation allosterically affects multiple regions of the monomer. Our results align with the hypothesis that defective contractile function contributes to the pathogenesis of TAAD. PMID:26153420

  10. Host cell heparan sulfate proteoglycans mediate attachment and entry of Listeria monocytogenes, and the listerial surface protein ActA is involved in heparan sulfate receptor recognition.

    PubMed

    Alvarez-Domínguez, C; Vázquez-Boland, J A; Carrasco-Marín, E; López-Mato, P; Leyva-Cobián, F

    1997-01-01

    The mechanisms by which the intracellular pathogen Listeria monocytogenes interacts with the host cell surface remain largely unknown. In this study, we investigated the role of heparan sulfate proteoglycans (HSPG) in listerial infection. Pretreatment of bacteria with heparin or heparan sulfate (HS), but not with other glycosaminoglycans, inhibited attachment and subsequent uptake by IC-21 murine macrophages and CHO epithelial-like cells. Specific removal of HS from target cells with heparinase III significantly impaired listerial adhesion and invasion. Mutant CHO cells deficient in HS synthesis bound and internalized significantly fewer bacteria than wild-type cells did. Pretreatment of target cells with the HS-binding proteins fibronectin and platelet factor 4, or with heparinase III, impaired listerial infectivity only in those cells expressing HS. Moreover, a synthetic peptide corresponding to the HS-binding ligand in Plasmodium falciparum circumsporozoite protein (pepPf1) inhibited listerial attachment to IC-21 and CHO cells. A motif very similar to the HS-binding site of pepPf1 was found in the N-terminal region of ActA, the L. monocytogenes surface protein responsible for actin-based bacterial motility and cell-to-cell spread. In the same region of ActA, several clusters of positively charged amino acids which could function as HS-binding domains were identified. An ActA-deficient mutant was significantly impaired in attachment and entry due to altered HS recognition functions. This work shows that specific interaction with an HSPG receptor present on the surface of both professional and nonprofessional phagocytes is involved in L. monocytogenes cytoadhesion and invasion and strongly suggests that the bacterial surface protein ActA may be a ligand mediating HSPG receptor recognition. PMID:8975895

  11. Combined MRI and 31P-MRS Investigations of the ACTA1(H40Y) Mouse Model of Nemaline Myopathy Show Impaired Muscle Function and Altered Energy Metabolism

    PubMed Central

    Gineste, Charlotte; Le Fur, Yann; Vilmen, Christophe; Le Troter, Arnaud; Pecchi, Emilie; Cozzone, Patrick J.; Hardeman, Edna C.; Bendahan, David; Gondin, Julien

    2013-01-01

    Nemaline myopathy (NM) is the most common disease entity among non-dystrophic skeletal muscle congenital diseases. Mutations in the skeletal muscle α-actin gene (ACTA1) account for ∼25% of all NM cases and are the most frequent cause of severe forms of NM. So far, the mechanisms underlying muscle weakness in NM patients remain unclear. Additionally, recent Magnetic Resonance Imaging (MRI) studies reported a progressive fatty infiltration of skeletal muscle with a specific muscle involvement in patients with ACTA1 mutations. We investigated strictly noninvasively the gastrocnemius muscle function of a mouse model carrying a mutation in the ACTA1 gene (H40Y). Skeletal muscle anatomy (hindlimb muscles and fat volumes) and energy metabolism were studied using MRI and 31Phosphorus magnetic resonance spectroscopy. Skeletal muscle contractile performance was investigated while applying a force-frequency protocol (from 1–150 Hz) and a fatigue protocol (80 stimuli at 40 Hz). H40Y mice showed a reduction of both absolute (−40%) and specific (−25%) maximal force production as compared to controls. Interestingly, muscle weakness was associated with an improved resistance to fatigue (+40%) and an increased energy cost. On the contrary, the force frequency relationship was not modified in H40Y mice and the extent of fatty infiltration was minor and not different from the WT group. We concluded that the H40Y mouse model does not reproduce human MRI findings but shows a severe muscle weakness which might be related to an alteration of intrinsic muscular properties. The increased energy cost in H40Y mice might be related to either an impaired mitochondrial function or an alteration at the cross-bridges level. Overall, we provided a unique set of anatomic, metabolic and functional biomarkers that might be relevant for monitoring the progression of NM disease but also for assessing the efficacy of potential therapeutic interventions at a preclinical level. PMID:23613869

  12. BOOK REVIEW: Astronomie von Olbers bis Schwarzschild. Nationale Entwicklungen und internationale Beziehungen im 19. Jahrhundert (Acta Historica Astronomiae Vol. 16)

    NASA Astrophysics Data System (ADS)

    Sterken, C.; Dick, W. R.; Hamel, J.

    2002-12-01

    The 14th volume of the Acta Historica Astronomiae is the Proceedings of a Colloquium International Relationships in Astronomy (in German) organised by the History of Astronomy Section of the Astronomische Gesellschaft held on September 18 in Lilienthal, Germany. The book contains 13 articles on astronomical topics covering the 19th and 20th centuries. The first paper is by Guenther Oestmann and deals with contemporary assessments of Johann Hieronymus Schroeter's (1745-1816) astronomical works and with later judgements of the scientific importance and significance of his observations as seen by astronomers and historians. This report is complemented by a second article on Schroeter's 25-ft reflector in Lilienthal near Bremen. To this end, author Felix Luehning has constructed a scale model of the telescope, and shows how the building of a model brings a deeper understanding of function and handling of this instrument. This brings us to a third paper on telescope building in Lilienthal: Hans-Joachim Leue describes the cooperation of Johann Hieronymus Schroeter and Johann Gottlieb Schrader in developing a white reflecting metal alloy for use as telescope mirror. The fourth article, by Klaus Schillinger, describes on the basis of archival documents the aquisition history of the Herschel telescopes, including telescope quality check, repair and building. Memorial sites referring to Wilhelm Olbers, Johann Hieronymus Schroeter, Friedrich Wilhelm Bessel and Carl Friedrich Gauss are described by Arno Langkavel in two walks outlined in the very last paper of this book. Peter Brosche, in the fifth paper, discusses the rediscovery of Ceres in December1801, a discovery that was the result of the combined efforts of a theoretician (Gauss) and an observer (Zach). Juergen Hamel's paper is based on previously unused archival sources and discusses the outstanding role played by H. C. Schumacher (1780-1850, editor of the Astronomische Nachrichten) in the communication between

  13. Multimodal MRI and 31P-MRS Investigations of the ACTA1(Asp286Gly) Mouse Model of Nemaline Myopathy Provide Evidence of Impaired In Vivo Muscle Function, Altered Muscle Structure and Disturbed Energy Metabolism

    PubMed Central

    Gineste, Charlotte; Duhamel, Guillaume; Le Fur, Yann; Vilmen, Christophe; Cozzone, Patrick J.; Nowak, Kristen J.; Bendahan, David; Gondin, Julien

    2013-01-01

    Nemaline myopathy (NM), the most common non-dystrophic congenital disease of skeletal muscle, can be caused by mutations in the skeletal muscle α-actin gene (ACTA1) (~25% of all NM cases and up to 50% of severe forms of NM). Muscle function of the recently generated transgenic mouse model carrying the human Asp286Gly mutation in the ACTA1 gene (Tg(ACTA1)Asp286Gly) has been mainly investigated in vitro. Therefore, we aimed at providing a comprehensive picture of the in vivo hindlimb muscle function of Tg(ACTA1)Asp286Gly mice by combining strictly noninvasive investigations. Skeletal muscle anatomy (hindlimb muscles, intramuscular fat volumes) and microstructure were studied using multimodal magnetic resonance imaging (Dixon, T2, Diffusion Tensor Imaging [DTI]). Energy metabolism was studied using 31-phosphorus Magnetic Resonance Spectroscopy (31P-MRS). Skeletal muscle contractile performance was investigated while applying a force-frequency protocol (1–150 Hz) and a fatigue protocol (6 min–1.7 Hz). Tg(ACTA1)Asp286Gly mice showed a mild muscle weakness as illustrated by the reduction of both absolute (30%) and specific (15%) maximal force production. Dixon MRI did not show discernable fatty infiltration in Tg(ACTA1)Asp286Gly mice indicating that this mouse model does not reproduce human MRI findings. Increased T2 values were observed in Tg(ACTA1)Asp286Gly mice and might reflect the occurrence of muscle degeneration/regeneration process. Interestingly, T2 values were linearly related to muscle weakness. DTI experiments indicated lower λ2 and λ3 values in Tg(ACTA1)Asp286Gly mice, which might be associated to muscle atrophy and/or the presence of histological anomalies. Finally 31P-MRS investigations illustrated an increased anaerobic energy cost of contraction in Tg(ACTA1)Asp286Gly mice, which might be ascribed to contractile and non-contractile processes. Overall, we provide a unique set of information about the anatomic, metabolic and functional consequences

  14. Comment on "Apatite: A new redox proxy for silicic magmas?" [Geochimica et Cosmochimica Acta 132 (2014) 101-119

    NASA Astrophysics Data System (ADS)

    Marks, Michael A. W.; Scharrer, Manuel; Ladenburger, Sara; Markl, Gregor

    2016-06-01

    Recently Miles et al. (2014) proposed that a negative correlation between oxygen fugacity (expressed as logfO2 and the Mn content of apatite from a range of intermediate to silicic igneous rocks could be used as an oxybarometer (Eq. (1)).

  15. RbZnFe(PO4)2: synthesis and crystal structure

    PubMed Central

    Badri, Abdessalem; Ben Amara, Mongi

    2016-01-01

    A new iron phosphate, rubidium zinc iron(III) phosphate, RbZnFe(PO4)2, has been synthesized as single crystals by the flux method. This compound is isostructural to the previously reported KCoAl(PO4)2 [Chen et al. (1997 ▸). Acta Cryst. C53,1754–1756]. Its structure consists of a three-dimensional framework built up from corner-sharing PO4 and (Zn,Fe)O4 tetra­hedra. This mode of linkage forms channels parallel to the [100], [010] and [001] directions in which the Rb+ ions are located. PMID:27536385

  16. RbZnFe(PO4)2: synthesis and crystal structure.

    PubMed

    Badri, Abdessalem; Ben Amara, Mongi

    2016-08-01

    A new iron phosphate, rubidium zinc iron(III) phosphate, RbZnFe(PO4)2, has been synthesized as single crystals by the flux method. This compound is isostructural to the previously reported KCoAl(PO4)2 [Chen et al. (1997 ▸). Acta Cryst. C53,1754-1756]. Its structure consists of a three-dimensional framework built up from corner-sharing PO4 and (Zn,Fe)O4 tetra-hedra. This mode of linkage forms channels parallel to the [100], [010] and [001] directions in which the Rb(+) ions are located. PMID:27536385

  17. Erratum: Di-μ-nitrosyl-bis-[(η-penta-methyl-cyclo-penta-dien-yl)ruthenium(0)](Ru-Ru). Corrigendum.

    PubMed

    Pearsal, Matthew; Gembicky, Milan; Dominiak, Paulina; Larsen, Anna; Coppens, Philip

    2010-01-01

    The acknowledgement in the paper by Pearsal, Gembicky, Dominiak, Larsen & Coppens [Acta Cryst. (2007), E63, m2596] is extended and an omitted reference is added.[This corrects the article DOI: 10.1107/S1600536807045321.]. PMID:21578980

  18. A monoclinic form of dendocarbin A: a borderline case of one-dimensional isostructural polymorphism.

    PubMed

    Paz, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo

    2015-04-01

    The title compound, dendocarbin A [systematic name: (1R,5aS,9aS,9bR)-1-hydroxy-6,6,9a-trimethyldodecahydronaphtho[1,2-c]furan-3-one], C15H22O3, is a sesquiterpene lactone isolated from Drimys winteri var chilensis. The monoclinic phase described herein displays an identical molecular structure to the orthorhombic phase that we reported previously [Paz Robles et al. (2014). Acta Cryst. C70, 1007-1010], while varying significantly in chain pitch, and can thus be considered as a borderline case of one-dimensional isostructural polymorphism. PMID:25836288

  19. Crystal structure of benzene-1,3,5-tri-carb-oxy-lic acid-4-pyridone (1/3).

    PubMed

    Staun, Selena L; Oliver, Allen G

    2015-11-01

    Slow co-crystallization of a solution of benzene-1,3,5-tri-carb-oxy-lic acid with a large excess of 4-hy-droxy-pyridine produces an inter-penetrating, three-dimensional, hydrogen-bonded framework consisting of three 4-pyridone and one benzene-1,3,5-tri-carb-oxy-lic acid mol-ecules, C9H6O6·3C5H5NO. This structure represents an ortho-rhom-bic polymorph of the previously reported C-centered, monoclinic structure [Campos-Gaxiola et al. (2014 ▸). Acta Cryst. E70, o453-o454]. PMID:26594492

  20. Trimethyl-3-meth­oxy-4-oxo-5-triphenyl­phospho­ranyl­idene­cyclo­pent-1-ene-1,2,3-tricarboxyl­ate

    PubMed Central

    Krawczyk, Krzysztof K.; Wojtasiewicz, Krystyna; Maurin, Jan K.; Gronowska, Ewa; Czarnocki, Zbigniew

    2010-01-01

    The title compound, C30H27O8P (2), was formed as one of two products {(1) [Krawczyk et al. (2010 ▶). Acta Cryst. E66 (cv2752)] and (2)} in the reaction of dimethyl acetyl­enedicarboxyl­ate with triphenyl­phosphine. The mol­ecule of (2) consists of a five-membered carbocyclic ring. The P atom is a part of a triphenylphosphoranylidene substituent. In contrast to (1), the five-membered ring of (2) is planar, the r.m.s. deviation being only 0.009 (2) Å. PMID:21588989

  1. Acta Mechanica Sinica (selected articles)

    NASA Astrophysics Data System (ADS)

    Ling, G.; Yin, X.; Jiang, J.; Li, K.

    1982-08-01

    Selected articles on fluid mechanics and heat transfer are presented. Topics discussed are: (1) the secondary vortex and the karman vortex formation; (2) viscous compressible flow in turbomachinery; (3) partial differential equations satisfied by stream functions in three dimensional turbomachinery flow; and (4) iridium electrostatic probe and its application in a high temperature wind tunnel.

  2. Acta mechanica sinica (Selected articles)

    NASA Astrophysics Data System (ADS)

    Lian, J.; Lu, W.

    1984-05-01

    The coherent structure of a turbulent boundary layer at zero pressure gradient and for the gradient of adverse pressure was investigated. The hydrogen bubble method was employed to examine the turbulent flow in a two dimensional diffusion sector in a water channel. In a separate work, tensor calculus was used to derive three dimensional weak conservation form equations, time dependent flow surface iterative equations, and characteristic theory of non-orthogonal spherical coordinates. These equations and theory are useful in solving the three dimensional turbomachine transonic flow field.

  3. Acta Mechanica Sinica (selected articles)

    NASA Astrophysics Data System (ADS)

    Guocan, L.; Xieyuan, Y.

    1982-05-01

    Articles on the following topics are presented: the early stages of unsteady flow around a cylinder at high Reynolds number and under laminar conditions; methods for solving three dimensional flow in turbomachinery; numerical computation of viscous compressible flow in turbomachinery; a high speed interferograph system for investigating fast phenomena; and statistical simulation of the aerodynamic behavior of the transitional region of flow past combined bodies of revolution at arbitrary angles of attack.

  4. ALS - resources

    MedlinePlus

    Resources - ALS ... The following organizations are good resources for information on amyotrophic lateral sclerosis : Muscular Dystrophy Association -- mda.org/disease/amyotrophic-lateral-sclerosis National Amyotrophic Lateral Sclerosis (ALS) Registry -- ...

  5. ALS Association

    MedlinePlus

    ... ALS. Find Out How Our Mission Leading the fight to treat and cure ALS through global research ... you participate, advocate, and donate, you advance the fight to find the cure and lead us toward ...

  6. Spherical nanoindentation stress-strain curves of commercially pure titanium and Ti-6Al-4V

    DOE Data Explorer

    Weaver, Jordan S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Priddy, Matthew W. [Georgia Inst. of Technology, Atlanta, GA (United States); McDowell, David L. [Georgia Inst. of Technology, Atlanta, GA (United States); Kalidindi, Surya R. [Georgia Inst. of Technology, Atlanta, GA (United States)

    2016-07-27

    Spherical nanoindentation combined with electron back-scattered diffraction was employed to characterize the grain-scale elastic and plastic anisotropy of single crystal alpha-Ti for commercially pure (CP-Ti) and alloyed (Ti-64) titanium. In addition, alpha-beta Ti (single colony) grains were characterized. The data set includes the nanoindentation force, displacement, and contact stiffness, the nanoindentation stress-strain analysis, and the alpha-Ti crystal orientations. Details of the samples and experimental protocols can be found in Weaver et al. (2016) Acta Materialia doi:10.1016/j.actamat.2016.06.053.

  7. Evolution of local atomic structure during solidification of Al2Au liquid: An ab initio study

    SciTech Connect

    Xiong, L H; Lou, H B; Wang, X D; Debela, T T; Cao, Q P; Zhang, D X; Wang, S Y; Wang, C Z; Jiang, J Z

    2014-04-01

    The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt-Anderson (HA) index and Voronoi tessellation methods. It was found that the icosahedral-like clusters are negligible in the Al2Au stable liquid and supercooled liquid states, and the most abundant clusters are those having HA indices of 131 and 120 or Voronoi indices of < 0,4,4,0 >, < 0,3, 6,0 > and < 0,4,4,2 > with coordination numbers of 8, 9 and 10, respectively. These clusters are similar to the local atomic structures in the CaF2-type Al2Au crystal, revealing the existence of structure heredity between liquid and crystalline phase in Al2Au alloy. (C) 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  8. 10Be and 26Al in Individual Cosmic Spherules

    NASA Astrophysics Data System (ADS)

    Nishiizumi, K.; Arnold, J. R.; Chaffee, M. W.; Finkel, R. C.; Southon, J.; Brownlee, D. E.; Harvey, R. P.

    1992-07-01

    previously by Nishiizumi et al., 1992, LC- 10 and LC-15) have contents of ^10Be and ^26Al that are not inconsistent with their being spall droplets from larger objects, bringing the number of possible cases to three out of 42 stony objects so far reported. In all other cases, clear evidence of SCR bombardment (^26Al/^10Be greater than the ratio produced in meteorites by GCR) is present. An earlier paper (Nishiizumi et al., 1991) discusses two acceptable models (4-pi and 2-pi) for the bombardment history of the particles bearing a clear SCR signature. The present data strengthen our preference for the 4-pi model; measurements of other nuclides will provide further constraints. References Dohnanyi J. S. (1978) in Cosmic Dust (ed. J. A. M. McDonnell) 527-605, (J. Wiley). Grun E. et al. (1985) Icarus 62, 244-272. Harvey R. P. and Maurette M. (1990) Lunar Planet. Sci. XXI, 467- 468. Koeberl C. and Hagen E. H. (1989) Geochim. Cosmochim. Acta 53, 937-944. Maurette M. et al. (1986) Science 233, 869-872. Murrell M. T. et al. (1980) Geochim. Cosmochim. Acta 44, 2067- 2074. Nishiizumi K. et al. (1991) Earth Planet. Sci. Lett. 104, 315-324. Nishiizumi K. et al. (1992) Lunar Planet. Sci. XXIII, 997-998. Olinger C. T. et al. (1990) Earth Planet. Sci. Lett. 100, 77-93. Raisbeck G. M. et al. (1985) in Properties and Interactions of Interplanetary Dust (eds. Giese R. H. & Lamy P.) 169-174 (D. Reidel).

  9. Hobartine: a tetracyclic indole alkaloid extracted from Aristotelia chilensis (maqui).

    PubMed

    Paz Robles, Cristian; Badilla Vidal, Natalia; Suarez, Sebastián; Baggio, Ricardo

    2014-11-01

    The natural compound hobartine {systematic name: (1R)-3-[(1S,5S)-(4,4,8-trimethylbicyclo[3.3.1]non-7-en-2-yl)methyl]-2,3-dihydro-1H-indole}, C20H26N2, (I), is an indole alkaloid isolated from Aristotelia chilensis as part of a study of secondary metabolites from Chilean flora. The colourless compound has a tetracyclic structure closely related to the strongly coloured polymorphic structures discussed in Paz et al. [Acta Cryst. (2013), C69, 1509-1512] and Watson et al. [Acta Cryst. (1989), C45, 1322-1324]. The main differences reside in the absence of a keto group in (I) compared with the previous structures, as well as an endo double bond in (I) contrasting with the exo double bond found in the previous structures. The supramolecular structure of (I) in strongly related to the twofold screw axis, around which isolated chains build up, internally linked by an N-H···N hydrogen bond which is the only significant intermolecular interaction present in the structure. PMID:25370110

  10. Evidence for 26Al in Feldspars from the H4 Chondrite Ste. Marguerite

    NASA Astrophysics Data System (ADS)

    Zinner, E.; Gopel, C.

    1992-07-01

    formation of Allende inclusions. This time interval is a little longer than but still consistent with the difference of the Pb/Pb age of 4.5627 +- 6 Ga for Ste. Marguerite (Gopel et al., 1991) and the U-Pb age of 4.566 +- 2 Ga for Allende inclusions (Manhes et al., 1988). It thus appears that there was sufficient ^26Al to melt early accreting small planetary bodies. References: Gopel C., Manhes G., and Allegre C. J. (1991) Meteoritics 26, 338. Hutcheon I. D. (1982) In Nuclear and Chemical Dating Techniques: Interpreting the Environmental Record (eds. L. A. Curie), Amer. Chem. Soc. Symposium Series No. 176, 95-128. Hutcheon I. D. and Hutchison R. (1989) Nature 337, 238. Ireland T. R. (1990) Geochim. Cosmochim. Acta 54, 3219-3237. Manhes G., Gopel C., and Allegre C. J. (1988) Comptes Rendus de l'ATP Planetologie, 323-327. Pellas P. and Storzer D. (1981) Proc. R. Soc. Lond. A374, 253- 270. Podosek F. A., Zinner E. K., MacPherson G. J., Lundberg L. L., Brannon J. C., and Fahey A. J. (1991) Geochim. Cosmochim. Acta 55, 1083-1110. Virag A., Zinner E., Amari S., and Anders E. (1991) Geochim. Cosmochim. Acta 55, 2045-2062. Wasserburg G. J. and Papanastassiou D. A. (1982) In Essays in Nuclear Astrophysics (eds. C. A. Barnes et al.), Cambridge Univ. Press, 77-140.

  11. Reply to "Comments on 'Extended electron energy loss fine structure simulation of the local boron environment in sodium aluminoborosilicate glasses containing gadolinium' by M. Qian, H. Li, L. Li and D. M. Strachan [J. Non-Cryst. Solids 328 (2003) 90

    SciTech Connect

    Li, Hong; Qian, Maoxu; Buck, Edgar C.; Strachan, Denis M.

    2005-04-24

    The nature of ^*-band, near 188-194 eV, from B K EELS spectra of borate minerals and boron containing glasses has been well documented. The ban results rom teh transition of B 1s to P ^* in B with sp hybridization. Similarly, the higher energy broad band is attributed to the transition from B 1s to P in B Radiation effects on B04 conversion to Bo3 was also studied in details for crystalline solids by Sauer et al.

  12. Coping with Social Change: Programs That Work. Proceedings of a Conference (Acapulco, Mexico, June 1989) = Como enfrentarse al cambio social: programas eficaces. Actas de uno Conferencia (Acapulco, Mexico, Junio de 1989).

    ERIC Educational Resources Information Center

    Hoskins, Irene, Ed.

    Written in English and Spanish, this document contains the proceedings of the 14th International Congress of Gerontology on concerns about the impact of rapid social change on the well-being of older women and families in Latin American and the Caribbean and about effective programs that address the needs of the older populations. The first…

  13. Western Hemisphere Conference on Persons with Disabilities. Conference Proceedings (Washington, D.C., March 14-18, 1993) = Conferencia Hemisferica Occidental sobre Personas con Discapacidades. Actas de la Conferencia. (Washington, D.C., 14 al 18 de Marzo de 1993).

    ERIC Educational Resources Information Center

    Kelley, Jerry D., Ed.; And Others

    This document presents the proceedings of a conference which brought together delegates and First Ladies representing western hemisphere nations to address needs and issues affecting people with disabilities in the Americas. It presents the texts of two keynote addresses: "Small Triumphs, Big Victories: A Global View of Persons with Disabilities,"…

  14. Al Composites

    NASA Astrophysics Data System (ADS)

    Chandanayaka, Tharaka; Azarmi, Fardad

    2014-05-01

    In the present study, cold spraying technique was used to fabricate a metal matrix composite (MMC) that consists of Ni matrix and 20 vol.% Ni3Al particles at two different particle sizes as reinforcement. This study intends to investigate the effect of reinforcement particle size on microstructural and mechanical properties of cold sprayed MMCs. Two different Ni3Al powders with nominal particle size of -45 to +5 and +45 to 100 μm were used as reinforcement in this study. Cold sprayed Ni-Ni3Al samples were subjected to the microstructural observation and characterization prior to any mechanical testing. Then, samples were tested using nano-indentation, Knoop hardness, Vickers hardness, and Resonance frequency to evaluate their mechanical properties. No significant changes were observed in microstructural characteristics due to different particle sizes. The results obtained from a variety of mechanical testings indicated that the increasing reinforcement particle size resulted in the slight reduction of mechanical properties such as elastic modulus and hardness in cold sprayed MMCs. The mechanical interlock between deposited particles defines the bonding strength in cold sprayed samples. Small size particles have a higher velocity and impact resulting in stronger interlock between deformed particles.

  15. AL Amyloidosis

    PubMed Central

    2012-01-01

    Definition of the disease AL amyloidosis results from extra-cellular deposition of fibril-forming monoclonal immunoglobulin (Ig) light chains (LC) (most commonly of lambda isotype) usually secreted by a small plasma cell clone. Most patients have evidence of isolated monoclonal gammopathy or smoldering myeloma, and the occurrence of AL amyloidosis in patients with symptomatic multiple myeloma or other B-cell lymphoproliferative disorders is unusual. The key event in the development of AL amyloidosis is the change in the secondary or tertiary structure of an abnormal monoclonal LC, which results in instable conformation. This conformational change is responsible for abnormal folding of the LC, rich in β leaves, which assemble into monomers that stack together to form amyloid fibrils. Epidemiology AL amyloidosis is the most common type of systemic amyloidois in developed countries with an estimated incidence of 9 cases/million inhabitant/year. The average age of diagnosed patients is 65 years and less than 10% of patients are under 50. Clinical description The clinical presentation is protean, because of the wide number of tissues or organs that may be affected. The most common presenting symptoms are asthenia and dyspnoea, which are poorly specific and may account for delayed diagnosis. Renal manifestations are the most frequent, affecting two thirds of patients at presentation. They are characterized by heavy proteinuria, with nephrotic syndrome and impaired renal function in half of the patients. Heart involvement, which is present at diagnosis in more than 50% of patients, leading to restrictive cardiopathy, is the most serious complication and engages prognosis. Diagnostic methods The diagnosis relies on pathological examination of an involved site showing Congo red-positive amyloid deposits, with typical apple-green birefringence under polarized light, that stain positive with an anti-LC antibody by immunohistochemistry and/or immunofluorescence. Due to the

  16. Oxygen isotope heterogeneity of the mantle beneath the Canary Islands: a discussion of the paper of Gurenko et al.

    NASA Astrophysics Data System (ADS)

    Day, James M. D.; Macpherson, Colin G.; Lowry, David; Pearson, D. Graham

    2012-07-01

    Gurenko et al. (Contrib Mineral Petrol 162:349-363, 2011) report laser-assisted fluorination (LF) and secondary ionization mass spectrometry (SIMS) 18O/16O datasets for olivine grains from the Canary Islands of Gran Canaria, Tenerife, La Gomera, La Palma and El Hierro. As with prior studies of oxygen isotopes in Canary Island lavas (e.g. Thirlwall et al. Chem Geol 135:233-262, 1997; Day et al. Geology 37:555-558, 2009, Geochim Cosmochim Acta 74:6565-6589, 2010), these authors find variations in δ18Ool (~4.6-6.0 ‰) beyond that measured for mantle peridotite olivine (Mattey et al. Earth Planet Sci Lett 128:231-241, 1994) and interpret this variation to reflect contributions from pyroxenite-peridotite mantle sources. Furthermore, Gurenko et al. (Contrib Mineral Petrol 162:349-363, 2011) speculate that δ18Ool values for La Palma olivine grains measured by LF (Day et al. Geology 37:555-558, 2009, Geochim Cosmochim Acta 74:6565-6589, 2010) may be biased to low values due to the presence of altered silicate, possibly serpentine. The range in δ18Ool values for Canary Island lavas are of importance for constraining their origin. Gurenko et al. (Contrib Mineral Petrol 162:349-363, 2011) took a subset (39 SIMS analyses from 13 grains from a single El Hierro lava; EH4) of a more extensive dataset (321 SIMS analyses from 110 grains from 16 Canary Island lavas) to suggest that δ18Ool is weakly correlated ( R 2 = 0.291) with the parameter used by Gurenko et al. (Earth Planet Sci Lett 277:514-524, 2009) to describe the estimated weight fraction of pyroxenite-derived melt ( Xpx). With this relationship, end-member δ18O values for HIMU-peridotite (δ18O = 5.3 ± 0.3 ‰) and depleted pyroxenite (δ18O = 5.9 ± 0.3 ‰) were defined. Although the model proposed by Gurenko et al. (Contrib Mineral Petrol 162:349-363, 2011) implicates similar pyroxenite-peridotite mantle sources to those proposed by Day et al. (Geology 37:555-558, 2009, Geochim Cosmochim Acta 74:6565-6589, 2010

  17. Acanthamoeba polyphaga mimivirus NDK: preliminary crystallographic analysis of the first viral nucleoside diphosphate kinase

    PubMed Central

    Jeudy, Sandra; Coutard, Bruno; Lebrun, Régine; Abergel, Chantal

    2005-01-01

    The complete sequence of the largest known double-stranded DNA virus, Acanthamoeba polyphaga mimivirus, has recently been determined [Raoult et al. (2004 ▶), Science, 306, 1344–1350] and revealed numerous genes not expected to be found in a virus. A comprehensive structural and functional study of these gene products was initiated [Abergel et al. (2005 ▶), Acta Cryst. F61, 212–215] both to better understand their role in the virus physiology and to obtain some clues to the origin of DNA viruses. Here, the preliminary crystallographic analysis of the viral nucleoside diphosphate kinase protein is reported. The crystal belongs to the cubic space group P213, with unit-cell parameter 99.425 Å. The self-rotation function confirms that there are two monomers per asymmetric unit related by a twofold non-crystallographic axis and that the unit cell thus contains four biological entities. PMID:16511098

  18. Response to Delibes-Mateos et al. : Pellet size matters

    NASA Astrophysics Data System (ADS)

    Rueda, Marta; Rebollo, Salvador; Gálvez-Bravo, Lucía

    2009-05-01

    In Rueda et al. [Rueda, M., Rebollo, S., Gálvez-Bravo, L., 2008. Age and season determine European rabbit habitat use in Mediterranean ecosystems. Acta Oecol. 34, 266-273] we used a threshold of 6 mm faecal pellet diameter to differentiate between adult and juvenile European rabbit ( Oryctolagus cuniculus) habitat use. Delibes-Mateos et al. designed a housing experiment with 12 adult rabbits and criticised the choice of 6 mm as a threshold to separate adult and juvenile rabbit pellets, claiming that adults can produce pellets both larger and smaller than 6 mm in similar proportions. In response to their criticism we argue the following. The selection of a 6 mm threshold has a bibliographic basis, it is not a new method developed by Rueda et al. and produces consistent results when applied in the field. Assuming that Delibes-Mateos et al. results are accurate, we should have found a greater number of <6 mm pellets than >6 mm, overall and seasonally, which is not the case. We believe that the use of commercial pelleted food, keeping animals isolated in small cages for over a year, and the use of adult rabbits only, makes the experimental design used by these authors not suitable to refute the usefulness of separating rabbit pellets smaller and larger than 6 mm diameter as indicators of changes in the relative abundance of juvenile and adult rabbits in the field. Finally, we agree with the authors that the use of indirect methods of animal aging would require case-specific validation studies; however, we believe these studies should be correctly designed.

  19. Effect of grain size on yield strength of Ni/sub 3/Al and other alloys

    SciTech Connect

    Takeyama, M.; Liu, C.T.

    1988-07-01

    This paper analyzes the effect of grain size on yield stress of ordered Ni/sub 3/Al and Zr/sub 3/Al, and mild steels that show Lueders band propagation after yielding, using the Hall--Petch relation, sigma/sub y/ = sigma/sub 0/+k/sub y/ d/sup -1//sup ///sup 2/, and the new relation proposed by Schulson et al., sigma/sub y/ = sigma/sub 0/+kd/sup -(//sup p//sup +1)/2/ (Schulson et al., Acta Metall. 33, 1587 (1985)). The major emphasis is placed on the analysis of Ni/sub 3/Al data obtained from published and new results, with a careful consideration of the alloy stoichiometry effect. All data, except for binary stoichiometric Ni/sub 3/Al prepared by powder extrusion, fit the Hall--Petch relation, whereas the data from boron-doped Ni/sub 3/Al and mild steels do not follow the Schulson relation. However, no conclusion can be made simply from the curve fitting using either relation. The results are also discussed in terms of Lueders strain and alloy preparation methods. On the basis of the Hall--Petch analysis, the small slope k/sub y/ is obtained only for hypostoichiometric Ni/sub 3/Al with boron, which would be related to a stronger segregation of boron in nickel-rich Ni/sub 3/Al. In addition, the potency for the solid solution strengthening effect of boron is found to be much higher for stoichiometric Ni/sub 3/Al than for hypostoichiometric alloys.

  20. Crystal structure of bis­(2-amino-5-chloro­pyridinium) tetra­chlorido­cobaltate(II)

    PubMed Central

    Mghandef, Marwa; Boughzala, Habib

    2015-01-01

    The title salt, (C5H6ClN2)2[CoCl4], was synthesized by slow evaporation of an aqueous solution at room temperature. The asymmetric unit consists of two essentially planar (C5H6ClN2)+ cations [maximum deviations = 0.010 (3) and 0.014 (3) Å] that are nearly perpendicular to each other [dihedral angle = 84.12 (7)°]. They are bonded through N—H⋯Cl hydrogen bonds to distorted [CoCl4]2− tetra­hedra, leading to the formation of undulating layers parallel to (100). The structure is isotypic with the Zn analogue [Kefi et. al (2011). Acta Cryst. E67, m355–m356.] PMID:25995878

  1. 3α-Hy­droxy­tirucalla-8,24-dien-21-oic acid

    PubMed Central

    Yousuf, S.; Kamdem, R. S. T.; Ngadjui, B. T.; Wafo, P.; Fun, Hoong-Kun

    2011-01-01

    The title compound, C30H48O3, a triterpene isolated from the resin of canarium schweinfurthiiand, is an isomer of the previously reported triterpene 3α-hy­droxy­tirucalla-7,24-dien-21-oic acid [Mora et al. (2001 ▶). Acta Cryst. C57, 638–640], which crystallizes in the same trigonal space group. The title mol­ecule consists of four fused rings having chair, half-chair, half-chair and envelope conformations for rings A, B, C and D, respectively (steroid labelling). An intra­molecular C—H⋯O hydrogen bond generates an S(7) ring. In the crystal, mol­ecules are linked by O—H⋯O and C—H⋯O inter­actions, forming (001) sheets. PMID:21754206

  2. Crystal structure of 2,4-di­nitro­phenyl 4-methyl­benzene­sulfonate: a new polymorph

    PubMed Central

    Cooley, Tyler A.; Riley, Sean; Biros, Shannon M.; Staples, Richard J.; Ngassa, Felix N.

    2015-01-01

    The title compound, C13H10N2O7S, was synthesized via a nucleophilic substitution reaction between 2,4-di­nitro­phenol and p-toluene­sulfonyl chloride. This crystal structure is a polymorph of CSD entry WUVYUH [Vembu et al. (2003). Acta Cryst, E59, o378–380]. The aromatic substituents on the sulfonate group are oriented gauche to one another with a C—O—S—C torsion angle of −62.0 (3)°. The supra­molecular features that contribute to the crystal stability are offset π–π [centroid–centroid distance = 3.729 (2) Å] and multiple C—H⋯O inter­actions. PMID:26396855

  3. Triclinic polymorph of bis­(triphenyl­sil­yl) oxide toluene disolvate

    PubMed Central

    Purdy, Andrew P.; Smoot, Emily; Butcher, Ray J.; Kerr, Andrew

    2012-01-01

    A new polymorph of the title compound, C36H30OSi2·2C7H8, is reported, which is triclinic (P-1) instead of possessing the previously reported rhombohedral symmetry [Hönle et al. (1990). Acta Cryst. C46, 1982–1984]. Each of the –SiPh3 units are related by the inversion center. The Si—O—Si moiety is linear with the O atom sitting on an inversion center, and the O—Si—(toluene ring centroid) angle is 3.69 (15)°. Each toluene mol­ecule is 5.622 (2) Å from the Si atom and has its closest contacts with the phenyl rings outside of the van der Waals radii. PMID:22412504

  4. Crystal structure of (E)-2-(4-chloro­benzyl­idene)-3,4-di­hydro­naphthalen-1(2H)-one: a second monoclinic polymorph

    PubMed Central

    Haroon, Muhammad; Akhtar, Tashfeen; Tahir, Muhammad Nawaz

    2015-01-01

    The title compound, C17H13ClO, is the second monoclinic polymorph to crystallize in the space group P21/c. The first polymorph crystallized with two independent mol­ecules in the asymmetric unit [Bolognesi et al. (1975 ▸). Acta Cryst. A31, S119; Z′ = 2; no atomic coordinates available], whereas the title compound has Z′ = 1. In the title polymorph, the dihedral angle between the plane of the benzene ring of the tetra­lone moiety and that of the 4-chloro­benzyl ring is 52.21 (11)°. The cyclo­hex-2-en-1-one ring of the tetra­lone moiety has a screw-boat conformation. In the crystal, mol­ecules are liked by pairs of C—H⋯π inter­actions forming inversion dimers. There are no other significant inter­molecular inter­actions present. PMID:26594452

  5. A second polymorph of sodium di­hydrogen citrate, NaH2C6H5O7: structure solution from powder diffraction data and DFT comparison

    PubMed Central

    Rammohan, Alagappa; Kaduk, James A.

    2016-01-01

    The crystal structure of a second polymorph of sodium di­hydrogen citrate, Na+·H2C6H5O7 −, has been solved and refined using laboratory X-ray powder diffraction data, and optimized using density functional techniques. The powder pattern of the commercial sample used in this study did not match that corresponding to the known crystal structure [Glusker et al. (1965). Acta Cryst. 19, 561–572; refcode NAHCIT]. In this polymorph, the [NaO7] coordination polyhedra form edge-sharing chains propagating along the a axis, while in NAHCIT the octa­hedral [NaO6] groups form edge-sharing pairs bridged by two hy­droxy groups. The most notable difference is that in this polymorph one of the terminal carboxyl groups is deprotonated, while in NAHCIT the central carboxyl­ate group is deprotonated, as is more typical. PMID:27308058

  6. Redetermined crystal structure of N-(β-carb-oxy-eth-yl)-α-isoleucine.

    PubMed

    Chandrarekha, M; Srinivasan, N; Krishnakumar, R V

    2015-09-01

    Redetermination of the crystal structure of N-(β-carb-oxy-eth-yl)-α-isoleucine, C9H18N2O3, reported earlier by Nehls et al. [Acta Cryst. (2013), E69, o172-o173], was undertaken in which the ionization state assigned to the mol-ecule as unionized has been modified as zwitterionic in the present work. Single-crystal X-ray intensity data obtained from freshly grown crystals and freely refining the amino H atoms provide enhanced refinement and structural parameters, particularly the hydrogen-bonding scheme. N-H⋯O hydrogen bonds dominate the inter-molecular inter-actions along with a C-H⋯O hydrogen bond. The inter-molecular inter-action pattern is a three-dimensional network. The structure was refined as a two-component perfect inversion twin. PMID:26396893

  7. Crystal structure of 4-(tri­methyl­germ­yl)benzoic acid

    PubMed Central

    Knauer, Lena; Barth, Eva R.; Golz, Christopher; Strohmann, Carsten

    2015-01-01

    The title compound, [Ge(CH3)3(C7H5O2)], was obtained as a by-product in the synthesis of the corresponding aldehyde. Two slightly different mol­ecules are present in the asymmetric unit. In both mol­ecules, the geometry of the aromatic ring plane is distorted by varying intensities. Additionally, the Ge atoms deviate from the mean aromatic ring planes. Whereas the distance of the Ge atom to the ring plane is only 0.101 (4) Å in the first mol­ecule, this distance is increased to 0.210 (4) Å in the second. In the crystal structure, centrosymmetric O—H⋯O hydrogen-bonded dimers are formed. The title compound is isostructural with the Si analogue [Haberecht et al. (2004 ▸). Acta Cryst. E60, o329–0330]. PMID:26090151

  8. About the hybrid Fourier syntheses: a probabilistic approach.

    PubMed

    Burla, Maria Cristina; Carrozzini, Benedetta; Cascarano, Giovanni Luca; Giacovazzo, Carmelo; Polidori, Giampiero

    2011-09-01

    The difference electron density has recently been revisited via the method of joint probability distribution functions [Burla et al. (2010). Acta Cryst. A 66, 347-361]. New Fourier coefficients were devised which were the basis of a new ab initio method for the solution of the phase problem (i.e. VLD, vive la difference). In this paper we study the joint probability distribution functions P(F, F(p), F(Q)), where F(Q) is the structure factor corresponding to the ideal hybrid Fourier synthesis ρ(Q) = τρ - ωρ(p) and τ and ω are any pair of real numbers. New Fourier coefficients for the calculations of any hybrid synthesis are obtained, and the properties of the corresponding electron-density maps are discussed. The first applications show the correctness of our theoretical approach and suggest possible applications in phasing procedures. PMID:21844649

  9. 3-[1-(3-Hy­droxy­benz­yl)-1H-benzimid­azol-2-yl]phenol dimethyl sulfoxide monosolvate

    PubMed Central

    Quezada-Miriel, Magdalena; Avila-Sorrosa, Alcives; German-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David

    2012-01-01

    Crystals of the title compound were obtained as a 1:1 dimethyl sulfoxide solvate, C20H16N2O2·C2H6O. The mol­ecular conformation of the organic mol­ecule is similar to that in the previously reported unsolvated structure [Eltayeb et al. (2009 ▶). Acta Cryst. E65, o1374–o1375]. Thus, the dihedral angles formed by the benzimidazole moiety with the two benzene rings are 57.54 (4) and 76.22 (5)°, and the dihedral angle between the benzene rings is 89.23 (5)°. In the crystal, a three-dimensional network features O—H⋯O, O—H⋯N and O—H⋯S hydrogen bonds, as well as C—H⋯O and C—H⋯π inter­actions. PMID:23125815

  10. A triclinic polymorph of (E)-2-(4-iso­butyl­phen­yl)-N′-[1-(4-nitro­phen­yl)ethyl­idene]propano­hydrazide

    PubMed Central

    Manjunath, B. C.; Madan Kumar, S.; Vinayaka, A. C.; Jayasheelan, S.; Sadashiva, M. P.; Lokanath, N. K.

    2013-01-01

    The asymmetric unit of the triclinic polymorph of the title compound, C21H25N3O3, consists of two mol­ecules, whereas for the monoclinic polymorph Z′ = 1 [Fun et al. (2009 ▶). Acta Cryst. E65, o445]. The two mol­ecules exhibit an E configuration with respect to the C=N bond. The mol­ecules are linked into dimers by N—H⋯O and C—H⋯O hydrogen bonds forming R 2 2(8) ring motifs. In addition, π–π inter­actions occur between nitro­phenyl groups [minimum centroid–centroid distance 3.940 (2) Å], stacking the molecules along the ac plane. PMID:24109404

  11. Is it jolly SAD?

    PubMed

    Dodson, Eleanor

    2003-11-01

    Examples of phasing macromolecular crystal structures based on single-wavelength anomalous dispersion (SAD) have demonstrated that this approach may have general applications in structural biology. With better data-collection facilities and cryogenic techniques, combined with powerful data-processing, phasing and density-modification programs, the SAD approach may prove simpler than phasing from multi-wavelength (MAD) measurements. It can be performed at any wavelength where anomalous scattering can be observed, in many cases using laboratory X-ray sources. However, there is still a need for accurate data, successful phase improvement and a certain amount of luck. This paper extends the discussion of Jolly SAD in Dauter et al. [Dauter, Z., Dauter, M. & Dodson, E. (2002), Acta Cryst. D58, 494-506]. PMID:14573950

  12. Tetra­methyl 1,1,2-triphenyl-2H-1λ5-phosphole-2,3,4,5-tetra­carboxyl­ate

    PubMed Central

    Krawczyk, Krzysztof K.; Wojtasiewicz, Krystyna; Maurin, Jan K.; Gronowska, Ewa; Czarnocki, Zbigniew

    2010-01-01

    The title compound, C30H27O8P (1), was formed as one of two products {(1) and (2) [Krawczyk et al. (2010 ▶). Acta Cryst. E66 (cv2753)]} in the reaction of dimethyl acetyl­enedicarboxyl­ate with triphenyl­phosphine. The mol­ecule of (1) consists of a five-membered ring, in which the P atom is incorporated. One of the phenyl groups of the triphenyl­phosphine migrated to a vicinal C atom during the reaction. The five-membered ring of (1) is corrugated [r.m.s. deviation = 0.0719 (8) Å], whereas that in compound (2) is planar, the r.m.s. deviation being only 0.009 (2) Å. PMID:21588988

  13. Redetermination of Zn2Mo3O8

    PubMed Central

    Cuny, Jerome; Gougeon, Patrick; Gall, Philippe

    2009-01-01

    The crystal structure of dizinc trimolybdenum(IV) octa­oxide, Zn2Mo3O8, has been redetermined from single-crystal X-ray data. The structure has been reported previously based on neutron powder diffraction data [Hibble et al. (1999 ▶). Acta Cryst. B55, 683-697] and single-crystal data [McCarroll et al. (1957 ▶). J. Am. Chem. Soc. 79, 5410–5414; Ansell & Katz (1966 ▶) Acta Cryst. 21, 482–485]. The results of the current redetermination show an improvement in the precision of the structural and geometric parameters with all atoms refined with anisotropic displacement parameters. The crystal structure consists of distorted hexa­gonal-close-packed oxygen layers with stacking sequence abac along [001] and is held together by alternating zinc and molybdenum layers. The Zn atoms occupy both tetra­hedral and octa­hedral inter­stices with a ratio of 1:1. The Mo atoms occupy octa­hedral sites and form strongly bonded triangular clusters involving three MoO6 octa­hedra that are each shared along two edges, forming a Mo3O13 unit. All atoms lie on special positions. The Zn atoms are in 2b Wyckoff positions with 3m. site symmetry, the Mo atoms are in 6c Wyckoff positions with . m. site symmetry and the O atoms are in 2a, 2b and 6c Wyckoff positions with 3m. and . m. site symmetries, respectively. PMID:21582645

  14. Two new polytypes of 2,4,6-tri­bromo­benzo­nitrile

    PubMed Central

    Britton, Doyle; Noland, Wayland E.; Tritch, Kenneth J.

    2016-01-01

    Three polymorphs of 2,4,6-tri­bromo­benzo­nitrile (RCN), C7H2Br3N, two of which are novel and one of which is a redetermination of the original structure first determined by Carter & Britton [(1972). Acta Cryst. B28, 945–950] are found to be polytypic. Each has a layer structure which differs only in the stacking of the layers. Each layer is composed of mol­ecules associated through C N⋯Br contacts which form R 2 2(10) rings. Two such rings are associated with each N atom; one with each ortho-Br atom. No new polytypes of 1,3,5-tri­bromo-2-iso­cyano­benzene (RNC) were found but a re-determination of the original structure by Carter et al. [(1977). Cryst. Struct. Commun. 6, 543–548] is presented. RNC was found to be isostructural with one of the novel polytypes of RCN. Unit cells were determined for 23 RCN samples and 11 RNC samples. Polytypes could not be distinguished based on crystal habits. In all four structures, each mol­ecule of the asymmetric unit lies across a mirror plane. PMID:26958382

  15. Corrigendum to "Isotopic and geochemical characterization of fossil brines of the Cambrian Mt. Simon sandstone and Ironton-Galesville formation from the Illinois Basin, USA" [Geochim. Cosmochim. Acta 165 (2015) 342-360

    NASA Astrophysics Data System (ADS)

    Labotka, Dana M.; Panno, Samuel V.; Locke, Randall A.; Freiburg, Jared T.

    2016-08-01

    The original Fig. 4 incorrectly represented data from Clayton et al. (1966). The deuterium values were reported in percent deuterium and mistaken by the authors as per mille. The corrected Fig. 4 Corrigendum is given and shows the data from Clayton et al. (1966) plotting in a similar manner as other published data for groundwater in the Illinois Basin. The data from Clayton et al. (1966) was not used in the discussion of the deep-seated Cambrian brines, and, therefore, this misrepresentation does not affect the conclusions of the original manuscript. The authors apologize for the oversight.

  16. A spectroscopic and computational study of Al(III) complexes in cryolite melts: Effect of cation nature

    NASA Astrophysics Data System (ADS)

    Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Vassiliev, Sergey Yu.; Glukhov, Dmitrii V.; Tsirlina, Galina A.; Probst, Michael

    2013-02-01

    Lithium, sodium and potassium cryolite melts are probed by Raman spectroscopy in a wide range of the melt composition. The experimental data demonstrate a slight red shift of main peaks and a decrease of their half-widths in the row Li+, Na+, K+. Quantum chemical modelling of the systems is performed at the density functional theory level. The ionic environment is found to play a crucial role in the energy of fluoroaluminates. Potential energy surfaces describing the formation/dissociation of certain complex species, as well as model Raman spectra are constructed and compared with those obtained recently for sodium containing cryolite melts (R.R. Nazmutdinov, et al., Spectrochim, Acta A 75 (2010) 1244.). The calculations show that the cation nature affects the geometry of the ionic associates as well as the equilibrium and kinetics of the complexation processes. This enables to interpret both original experimental data and those reported in literature.

  17. A spectroscopic and computational study of Al(III) complexes in cryolite melts: Effect of cation nature

    PubMed Central

    Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Vassiliev, Sergey Yu.; Glukhov, Dmitrii V.; Tsirlina, Galina A.; Probst, Michael

    2013-01-01

    Lithium, sodium and potassium cryolite melts are probed by Raman spectroscopy in a wide range of the melt composition. The experimental data demonstrate a slight red shift of main peaks and a decrease of their half-widths in the row Li+, Na+, K+. Quantum chemical modelling of the systems is performed at the density functional theory level. The ionic environment is found to play a crucial role in the energy of fluoroaluminates. Potential energy surfaces describing the formation/dissociation of certain complex species, as well as model Raman spectra are constructed and compared with those obtained recently for sodium containing cryolite melts (R.R. Nazmutdinov, et al., Spectrochim, Acta A 75 (2010) 1244.). The calculations show that the cation nature affects the geometry of the ionic associates as well as the equilibrium and kinetics of the complexation processes. This enables to interpret both original experimental data and those reported in literature. PMID:23408115

  18. A spectroscopic and computational study of Al(III) complexes in cryolite melts: Effect of cation nature.

    PubMed

    Nazmutdinov, Renat R; Zinkicheva, Tamara T; Vassiliev, Sergey Yu; Glukhov, Dmitrii V; Tsirlina, Galina A; Probst, Michael

    2013-02-01

    Lithium, sodium and potassium cryolite melts are probed by Raman spectroscopy in a wide range of the melt composition. The experimental data demonstrate a slight red shift of main peaks and a decrease of their half-widths in the row Li(+), Na(+), K(+). Quantum chemical modelling of the systems is performed at the density functional theory level. The ionic environment is found to play a crucial role in the energy of fluoroaluminates. Potential energy surfaces describing the formation/dissociation of certain complex species, as well as model Raman spectra are constructed and compared with those obtained recently for sodium containing cryolite melts (R.R. Nazmutdinov, et al., Spectrochim, Acta A 75 (2010) 1244.). The calculations show that the cation nature affects the geometry of the ionic associates as well as the equilibrium and kinetics of the complexation processes. This enables to interpret both original experimental data and those reported in literature. PMID:23408115

  19. Crystallization of Chicken Egg White Lysozyme from Sulfate Salts

    NASA Technical Reports Server (NTRS)

    Forsythe, Elizabeth; Pusey, Marc

    1998-01-01

    It has been "known" that chicken egg white lysozyme does not crystallize from sulfate, particularly ammonium sulfate, salts, but instead gives amorphous precipitates. This has been the basis of several studies using lysozyme comparing macromolecule crystal nucleation and amorphous precipitation. Recently Ries-Kautt et al (Acta Cryst D50, (1994) 366) have shown that purified isoionic CEWL could be crystallized from low concentrations of sulfate at basic pH, and we subsequently showed that in fact CEWL could be purified in both the tetragonal and orthorhombic forms using ammonium sulfate over the pH range 4.0 to 7.8 (Acta Cryst D53, (1997) 795). We have now extended these observations to include a range of common sulfate salts, specifically sodium, potassium, rubidium, magnesium, and manganese sulfates. In all cases but the manganese sulfates both the familiar tetragonal and orthorhombic forms were obtained, with unit cell dimensions close to those known for the "classic" sodium chloride crystallized forms. Manganese sulfate has only yielded orthorhombic crystals to date. All crystallizations were carried out using low (typically less than or equal to 6 M) salt and high (greater than approximately 90 mg/ml) protein concentrations. As with ammonium sulfate, the tetragonal - orthorhombic phase shift appears to be a function of both the temperature and the protein concentration, with higher temperatures and concentrations favoring the orthorhombic and lower the tetragonal form. The phase change range is somewhat reduced for the sulfate salts, depending upon conditions being typically between approximately 15 - 20 C. Both the magnesium and manganese sulfates gave crystals at salt concentrations over 0.6 M as well, with magnesium sulfate giving a very slowly nucleating and growing hexagonal form. A triclinic crystal form, characterized by aggressively small crystals (typically 0.1 mm in size) has been occasionally obtained from ammonium sulfate. Finally, preliminary spot

  20. Crystal structure of a Pd4 carbonyl tri-phenyl-phosphane cluster [Pd4(CO)5(PPh3)4]·2C4H8O, comparing solvates.

    PubMed

    Robeyns, Koen; Willocq, Christopher; Tinant, Bernard; Devillers, Michel; Hermans, Sophie

    2016-02-01

    Attempts to synthesize Au-Pd heterometallic compounds from homonuclear palladium or gold complexes, [Pd(PtBu2)2] and [Au(PPh3)Cl] in a tetra-hydro-furan (THF) solution under a CO atmosphere resulted in a homonuclear Pd cluster, namely penta-kis-(μ-carbonyl-κ(2) C:C)tetra-kis-(tri-phenyl-phosphane-κP)tetrapalladium(5 Pd-Pd) tetra-hydro-furan disolvate, [Pd4(CO)5(C18H15P)4]·2C4H8O. The complex mol-ecule lies on a twofold rotation axis. The crystal structure is described in relation to the CH2Cl2 solvate previously determined by our group [Willocq et al. (2011 ▸). Inorg. Chim. Acta, 373, 233-242], and in particular to the desolvated structure [Feltham et al. (1985 ▸). Inorg. Chem. 24, 1503-1510]. It is assumed that the title compound transforms into the latter structure, upon gradual loss of solvent mol-ecules. In the title compound, the symmetry-unique THF solvent mol-ecule is linked to the complex mol-ecule by a weak C-H⋯O hydrogen bond. Contributions of disordered solvent molecules to the diffraction intensities, most likely associated with methanol, were removed with the SQUEEZE [Spek (2015). Acta Cryst. C71, 9-18] algorithm. PMID:26958368

  1. Crystal structure of a Pd4 carbonyl tri­phenyl­phosphane cluster [Pd4(CO)5(PPh3)4]·2C4H8O, comparing solvates

    PubMed Central

    Robeyns, Koen; Willocq, Christopher; Tinant, Bernard; Devillers, Michel; Hermans, Sophie

    2016-01-01

    Attempts to synthesize Au–Pd heterometallic compounds from homonuclear palladium or gold complexes, [Pd(PtBu2)2] and [Au(PPh3)Cl] in a tetra­hydro­furan (THF) solution under a CO atmosphere resulted in a homonuclear Pd cluster, namely penta­kis­(μ-carbonyl-κ2 C:C)tetra­kis­(tri­phenyl­phosphane-κP)tetrapalladium(5 Pd—Pd) tetra­hydro­furan disolvate, [Pd4(CO)5(C18H15P)4]·2C4H8O. The complex mol­ecule lies on a twofold rotation axis. The crystal structure is described in relation to the CH2Cl2 solvate previously determined by our group [Willocq et al. (2011 ▸). Inorg. Chim. Acta, 373, 233–242], and in particular to the desolvated structure [Feltham et al. (1985 ▸). Inorg. Chem. 24, 1503–1510]. It is assumed that the title compound transforms into the latter structure, upon gradual loss of solvent mol­ecules. In the title compound, the symmetry-unique THF solvent mol­ecule is linked to the complex mol­ecule by a weak C—H⋯O hydrogen bond. Contributions of disordered solvent molecules to the diffraction intensities, most likely associated with methanol, were removed with the SQUEEZE [Spek (2015). Acta Cryst. C71, 9–18] algorithm. PMID:26958368

  2. ALS - The cost cutter

    NASA Astrophysics Data System (ADS)

    Colucci, Frank

    1987-10-01

    The Advanced Launch System (ALS) development program will avail itself of existing technologies in the short term in order to produce an interim 'core' vehicle that may be operational by 1993; the full, booster-incorporating system objective will then be achieved in 1998. This programmatic 'decoupling' of booster and core vehicle development efforts will separate their funding peaks. The ALS program will cut costs by colocating manufacturing and launch facilities, using Al-Li alloys in booster primary structures, and aggressively applying 'paperless' CIM. The ALS launch vehicle configuration will be primarily determined by both payload requirements and flight frequency.

  3. Al-Anon/Alateen

    MedlinePlus

    Find an Al-Anon meeting Español | Français 2018 Int'l Convention Home About Group Meetings What If I'm not ready ... a meeting? What can I expect at an Al-Anon meeting? What was my first meeting like? ...

  4. [Environmental factors in ALS].

    PubMed

    Juntas-Morales, Raul; Pageot, Nicolas; Corcia, Philippe; Camu, William

    2014-05-01

    ALS is likely to be a disorder of multifactorial origin. Among all the factors that may increase the risk of ALS, environmental ones are being studied for many years, but in the recent years, several advances have pointed to a new interest in their potential involvement in the disease process, especially for the cyanotoxin BMAA. Food containing BMAA has been found on Guam, a well-known focus of ALS/parkinsonism/dementia and high levels of BMAA have been identified into the brain of these patients. The BMAA cyanotoxin is potentially ubiquitous and have also been found into the food of patients who died from ALS both in Europe and USA. BMAA can be wrongly integrated into the protein structure during mRNA traduction, competing with serine. This may induce abnormal protein folding and a subsequent cell death. Heavy metals, such as lead or mercury may be directly toxic for neuronal cells. Several works have suggested an increased risk of ALS in individuals chronically exposed to these metals. Exposure to pesticides has been suggested to be linked to an increased risk of developing ALS. The mechanism of their toxicity is likely to be mediated by paraoxonases. These proteins are in charge of detoxifying the organism from toxins, and particularly organophosphates. To date, there are insufficient scientific data to suggest that exposure to electromagnetic fields may increase the risk of having ALS. We are particularly missing longitudinal cohorts to demonstrate that risk. PMID:24703731

  5. All About ALS

    MedlinePlus

    ... External link, please review our exit disclaimer . Subscribe All About ALS Understanding a Devastating Disorder In the ... a coffee pot, or button a shirt. Eventually, all muscles under voluntary control are affected, and people ...

  6. Amyotrophic Lateral Sclerosis (ALS)

    MedlinePlus

    ... Pictures of ALS Mutant Proteins Support Two Major Theories About How the Disease is Caused May 2003 ... All NINDS-prepared information is in the public domain and may be freely copied. Credit to the ...

  7. Genetic Testing for ALS

    MedlinePlus

    ... Involved Donate Familial Amyotrophic Lateral Sclerosis (FALS) and Genetic Testing By Deborah Hartzfeld, MS, CGC, Certified Genetic ... guarantee a person will develop symptoms of ALS. Genetic Counseling If there is more than one person ...

  8. ALS synchrotron radiation shielding

    SciTech Connect

    Donahue, R.J.

    1995-10-01

    This note discusses the assumptions and results of synchrotron radiation shielding estimates for ALS bend magnet and wiggler beamlines. Estimates of gas bremsstrahlung production are not included and are dealt with elsewhere.

  9. What Is ALS?

    MedlinePlus

    ... scarring or hardening ("sclerosis") in the region. Motor neurons reach from the brain to the spinal cord ... the body. The progressive degeneration of the motor neurons in ALS eventually leads to their demise. When ...

  10. Comment on "Behavior of Re and Os during contact between an aqueous solution and oil: Consequences for the application of the Re-Os geochronometer to petroleum" [Geochim. Cosmochim. Acta 158 (2015) 1-21

    NASA Astrophysics Data System (ADS)

    Wu, Jia; Li, Zhen; Wang, Xuan-ce

    2016-08-01

    In a recent study, Mahdaoui et al. (2015) simulated the contact of oil with Re/Os-bearing aqueous fluids in petroleum reservoirs and concluded that both metals could be rapidly and substantially enriched in the oil fraction. These findings could have significant geological ramifications for the use of rhenium-osmium (Re-Os) geochronology in the age-dating of oil deposits. However, the lack of data reproducibility between parallel experiments and misused parameter of "recovery rate" has cast doubt on the main conclusions of the paper. Re-analyses of the raw data provided sufficient evidence to suggest that in petroleum basins with very low abundances of Re and Os, the extraction of these metals to oil is unlikely to be a geologically instantaneous process as the authors implied in their study. In addition, the possibility of reactor leakage in the contacting experiments cannot be completely ruled out.

  11. Rapidly solidified NiAl and FeAl

    NASA Technical Reports Server (NTRS)

    Gaydosh, D. J.; Crimp, M. A.

    1984-01-01

    Melt spinning was used to produce rapidly solidified ribbons of the B2 intermetallics NiAl and FeAl. Both Fe-40Al and Fe-45Al possessed some bend ductility in the as spun condition. The bend ductility of Fe-40Al, Fe-45Al, and equiatomic NiAl increased with subsequent heat treatment. Heat treatment at approximately 0.85 T (sub m) resulted in significant grain growth in equiatomic FeAl and in all the NiAl compositions. Low bend ductility in both FeAl and NiAl generally coincided with intergranular failure, while increased bend ductility was characterized by increasing amounts of transgranular cleavage fracture.

  12. Modulus measurements in ordered Co-Al, Fe-Al, and Ni-Al alloys

    NASA Technical Reports Server (NTRS)

    Harmouche, M. R.; Wolfenden, A.

    1985-01-01

    The composition and/or temperature dependence of the dynamic Young's modulus for the ordered B2 Co-Al, Fe-Al, and Ni-Al aluminides has been investigated using the piezoelectric ultrasonic composite oscillator technique (PUCOT). The modulus has been measured in the composition interval 48.49 to 52.58 at. pct Co, 50.87 to 60.2 at. pct Fe, and 49.22 to 55.95 at. pct Ni for Co-Al, Fe-Al, and Ni-Al, respectively. The measured values for Co-Al are in the temperature interval 300 to 1300 K, while those for the other systems are for ambient temperature only. The data points show that Co-Al is stiffer than Fe-Al, which is stiffer than Ni-Al. The data points for Fe-Al and Ni-Al are slightly higher than those reported in the literature.

  13. CrystTwiV: a webserver for automated phase extension and refinement in X-ray crystallography

    PubMed Central

    Thireou, Trias; Atlamazoglou, Vassilis; Levakis, Manolis; Eliopoulos, Elias; Hountas, Athanassios; Tsoucaris, George; Bethanis, Kostas

    2007-01-01

    An important stage in macromolecular crystallography is that of phase extension and refinement when initial phase estimates are available from isomorphous replacement or anomalous scattering or other methods. For this purpose, an alternative method called the twin variables (TwiV) method has been proposed. The algorithm is based on alternately transferring the phase information between the twin variable sets. The phase extension and refinement is evaluated with the crystallographic symmetry test by deliberately sacrificing the space-group symmetry in the starting set, then using its re-appearance as a criterion for correctness. Here we present a software program (CrysTwiV) that runs on the web (freely available at: http://btweb.aua.gr/crystwiv/) implementing the above-mentioned method. PMID:17488848

  14. Al Shanker Remembers.

    ERIC Educational Resources Information Center

    American Educator, 2000

    2000-01-01

    In a 1996 interview shortly before his death, Al Shanker, longtime president of the American Federation of Teachers, discussed such topics as: his own educational experiences; how he learned about political fighting in the Boy Scouts; the appeal of socialism; multinational corporations and the nation state; teaching tough students; and John Dewey…

  15. ALS renewal moves forward

    NASA Astrophysics Data System (ADS)

    Falcone, R. W.; Feinberg, B.; Hussain, Z.; Kirz, J.; Krebs, G. F.; Padmore, H. A.; Robin, D. S.; Robinson, A. L.

    2007-11-01

    As the result of an extensive long-term planning process involving all its stakeholders—management, staff, and users—the ALS has seen its future and is aggressively moving ahead to implement its vision for keeping the facility at the cutting edge for the next 2-3 decades. The evolving strategic plan now in place aims to renew the ALS so it can address a new generation of fundamental questions about size dependent and dimensional-confinement phenomena at the nanoscale; correlation and complexity in physical, biological, and environmental systems; and temporal evolution, assembly, dynamics and ultrafast phenomena. The renewal spans three areas: (1) increased staffing at beamlines to support the growing user community and safety professionals to keep an increasingly complex facility hazard free; (2) implementing advances in accelerator, insertion device, beamline, and detector technology that will make it possible for ALS users to address emerging grand scientific and technological challenges with incisive world-class tools; and (3) construction of a user support building and guest housing that will increase the safety and user friendliness of the ALS by providing users office, meeting, experiment staging, and laboratory space for their work and on-site accommodations at reasonable rates.

  16. Fosetyl-al

    Integrated Risk Information System (IRIS)

    Fosetyl - al ; CASRN 39148 - 24 - 8 Human health assessment information on a chemical substance is included in the IRIS database only after a comprehensive review of toxicity data , as outlined in the IRIS assessment development process . Sections I ( Health Hazard Assessments for Noncarcinogenic Ef

  17. ALS Project Management Manual

    SciTech Connect

    Krupnick, Jim; Harkins, Joe

    2000-05-01

    This manual has been prepared to help establish a consistent baseline of management practices across all ALS projects. It describes the initial process of planning a project, with a specific focus on the production of a formal project plan. We feel that the primary weakness in ALS project management efforts to date stems from a failure to appreciate the importance of ''up-front'' project planning. In this document, we present a guide (with examples) to preparing the documents necessary to properly plan, monitor, and control a project's activities. While following the manual will certainly not guarantee good project management, failure to address the issues we raise will dramatically reduce the chance of success. Here we define success as meeting the technical goals on schedule and within the prescribed budget.

  18. ALS insertion devices

    SciTech Connect

    Hoyer, E.; Chin, J.; Halbach, K.; Hassenzahl, W.V.; Humphries, D.; Kincaid, B.; Lancaster, H.; Plate, D.

    1990-11-01

    The Advanced Light Source (ALS), the first US third generation synchrotron radiation source, is currently under construction at the Lawrence Berkeley Laboratory. The low-emittance, 1.5 GeV electron storage ring and the insertion devices are specifically designed to produce high brightness beams in the UV to soft X-Ray range. The planned initial complement of insertion devices includes four 4.6 m long undulators, with period lengths of 3.9 cm, 5.0 cm (2) and 8.0 cm, and a 2.9 m long wiggler of 16 cm period length. Undulator design is well advanced and fabrication has begun on the 5.0 cm and 8.0 cm period length undulators. This paper discusses ALS insertion device requirements; general design philosophy; and design of the magnetic structure, support structure/drive systems, control system and vacuum system. 18 refs., 9 figs., 5 tabs.

  19. Ausbildung als zentrale Aufgabe

    NASA Astrophysics Data System (ADS)

    Krämer, Walter; Schmerbach, Sibylle

    Anders als Lesen und Schreiben zählen Grundkenntnisse in Statistik heute noch nicht zu den Voraussetzungen einer sinnvollen Teilhabe am Sozialgeschehen. Und auch in der akademischen Statistik-Ausbildung gibt es noch einiges zu tun. Das vorliegende Kapitel zeichnet die Geschichte dieser akademischen Ausbildung an deutschen Universitäten nach dem zweiten Weltkrieg nach, stellt aktuelle Defizite vor und weist auf mögliche Verbesserungen hin.

  20. Optical gain characteristics in Al-rich AlGaN/AlN quantum wells

    SciTech Connect

    Oto, Takao; Banal, Ryan G.; Funato, Mitsuru; Kawakami, Yoichi

    2014-05-05

    The optical gain characteristics of Al-rich AlGaN/AlN quantum wells (QWs) were assessed by the variable stripe length method at room temperature. An Al{sub 0.79}Ga{sub 0.21}N/AlN QW with a well width of 5 nm had a large optical gain of 140 cm{sup −1}. Increasing the excitation length induced a redshift due to the gain consumption and the consequent saturation of the amplified spontaneous emission. Moreover, a change in the dominant gain polarization with Al composition, which was attributed to switching of the valence band ordering of strained AlGaN/AlN QWs at Al compositions of ∼0.8, was experimentally demonstrated.

  1. AL Amyloidosis and Agent Orange

    MedlinePlus

    ... for survivors' benefits . Research on AL amyloidosis and herbicides The Health and Medicine Division (formally known as ... to the compounds of interest found in the herbicide Agent Orange and AL amyloidosis." VA made a ...

  2. Al(+)-ligand binding energies

    NASA Technical Reports Server (NTRS)

    Sodupe, M.; Bauschlicher, Charles W., Jr.

    1991-01-01

    Ab initio calculations are used to optimize the structure and determine the binding energies of Al(+) to a series of ligands. For Al(+)-CN, the bonding was found to have a large covalent component. For the remaining ligands, the bonding is shown to be electrostatic in origin. The results obtained for Al(+) are compared with those previously reported for Mg(+).

  3. Al Jazirah, Sudan

    NASA Technical Reports Server (NTRS)

    2008-01-01

    Al Jazirah (also Gezira) is one of the 26 states of Sudan. The state lies between the Blue Nile and the White Nile in the east-central region of the country. It is a well populated area suitable for agriculture. The area was at the southern end of Nubia and little is known about its ancient history and only limited archaeological work has been conducted in this area. The region has benefited from the Gezira Scheme, a program to foster cotton farming begun in 1925. At that time the Sennar Dam and numerous irrigation canals were built. Al Jazirah became the Sudan's major agricultural region with more than 2.5 million acres (10,000 km) under cultivation. The initial development project was semi-private, but the government nationalized it in 1950. Cotton production increased in the 1970s but by the 1990s increased wheat production has supplanted a third of the land formerly seeded with cotton.

    The image was acquired December 25, 2006, covers an area of 56 x 36.4 km, and is located near 14.5 degrees north latitude, 33.1 degrees east longitude.

    The U.S. science team is located at NASA's Jet Propulsion Laboratory, Pasadena, Calif. The Terra mission is part of NASA's Science Mission Directorate.

  4. Studies of 27Al NMR in EuAl4

    NASA Astrophysics Data System (ADS)

    Niki, H.; Nakamura, S.; Higa, N.; Kuroshima, H.; Toji, T.; Yogi, M.; Nakamura, A.; Hedo, M.; Nakama, T.; Ōnuki, Y.; Harima, H.

    2015-03-01

    EuAl4 orders antiferromagnetically at TN ≈ 16 K with an effective magnetic moment of 8.02 μB. In the paramagnetic phase, the magnetic susceptibility of EuAl4 follows the Curie-Weiss law with a positive Curie-Weiss temperature θP = +14 K. The antiferromagnetic state is changed into the field induced ferromagnetic state at a critical field Hc of approximately 2 T. In order to microscopically investigate the magnetic and electronic properties in EuAl4, the NMR measurements of EuAl4 have been carried out at temperatures between 2 and 300 K, applying an external magnetic field of approximately 6.5 T. The 27Al NMR spectra corresponding to Al(I) and Al(II) sites are obtained. From the 27Al NMR spectra, the isotropic part Kiso and anisotropic part Kaniso of Knight shift, and nuclear quadrupole frequncy νQ are obtained. The Kiso and Kaniso shift to negative side with decreasing temperature due to the RKKY interaction. These temperature dependences follow the Curie-Weiss law with θP = +14 K, which is consistent with that of the magnetic susceptibility. From the K - χ plot, the values of the hyperfine fields Hhf_iso and Hhf_aniso are -3.231 and -0.162 kOe/μB for Al(I) site, and -1.823 and -0.264 kOe/μB for Al(II) site, respectively. The values of νQ of 27Al nucleus for Al(I) and Al(II) sites are approximately 0.865 and 0.409 MHz, respectively. The nuclear relaxation time T1 of 27Al NMR for both sites is almost constant in the paramagnetic phase, while the value of 1/T1 is abruptly decreased in the ordered ferromagnetic state.

  5. Interfacial characterization of Al-Al thermocompression bonds

    NASA Astrophysics Data System (ADS)

    Malik, N.; Carvalho, P. A.; Poppe, E.; Finstad, T. G.

    2016-05-01

    Interfaces formed by Al-Al thermocompression bonding were studied by the transmission electron microscopy. Si wafer pairs having patterned bonding frames were bonded using Al films deposited on Si or SiO2 as intermediate bonding media. A bond force of 36 or 60 kN at bonding temperatures ranging from 400-550 °C was applied for a duration of 60 min. Differences in the bonded interfaces of 200 μm wide sealing frames were investigated. It was observed that the interface had voids for bonding with 36 kN at 400 °C for Al deposited both on Si and on SiO2. However, the dicing yield was 33% for Al on Si and 98% for Al on SiO2, attesting for the higher quality of the latter bonds. Both a bond force of 60 kN applied at 400 °C and a bond force of 36 kN applied at 550 °C resulted in completely bonded frames with dicing yields of, respectively, 100% and 96%. A high density of long dislocations in the Al grains was observed for the 60 kN case, while the higher temperature resulted in grain boundary rotation away from the original Al-Al interface towards more stable configurations. Possible bonding mechanisms and reasons for the large difference in bonding quality of the Al films deposited on Si or SiO2 are discussed.

  6. Studies of 27Al NMR in SrAl4

    NASA Astrophysics Data System (ADS)

    Niki, Haruo; Higa, Nonoka; Kuroshima, Hiroko; Toji, Tatsuki; Morishima, Mach; Minei, Motofumi; Yogi, Mamoru; Nakamura, Ai; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika; Harima, Hisatomo

    A charge density wave (CDW) transition at TCDW = 243 K and a structural phase (SP) transition at approximately 100 K occur in SrAl4 with the BaAl4-type body center tetragonal structure, which is the divalent and non-4f electron reference compound of EuAl4. To understand the behaviors of the CDW and SP transitions, the 27Al NMR measurements using a single crystal and a powder sample of SrAl4 have been carried out. The line width below TCDW is modulated by an electrical quadruple interaction between 27Al nucleus and CDW charge modulation. The incommensurate CDW state below TCDW changes into a different structure below TSP. The temperature dependences of Knight shifts of 27Al(I) and 27Al(II) show the different behaviors. The temperature variation of 27Al(I) Knight shift shows anomalies at the CDW and SP transition temperatures, revealing the shift to negative side below TCDW, which is attributable to the core polarization of the d-electrons. However, 27Al(II) Knight shift keeps almost constant except for the small shift due to the SP transition. The 1/T1T of 27Al(I) indicates the obvious changes due to the CDW and SP transitions, while that of 27Al(II) takes a constant value. The density of state at the Fermi level at Al(I) site below 60 K would be about 0.9 times less than that above TCDW.

  7. ALS Performance Summary - Update

    SciTech Connect

    Waters, A M; Brown, W D; Martz, Jr., H E

    2004-09-30

    High Energy Density Physics (HEDP) experiments play an important role in corroborating the improved physics codes that underlie LLNL's Stockpile Stewardship mission. Conducting these experiments, whether on the National Ignition Facility (NIF) or another national facility such as Omega, will require not only improvement in the diagnostics for measuring the experiment, but also detailed knowledge of the as-built target components and assemblies themselves. To assist in this effort, a defined set of well-known reference standards designed to represent a range of HEDP targets have been built and are being used to quantify the performance of different characterization techniques [Hibbard, et al. 2004]. Without the critical step of using reference standards for qualifying characterization tools there can be no verification of either commercial or internally-developed characterization techniques and thus an uncertainty in the input to the physics code models would exist.

  8. Doppelthydrophile Blockcopolymere als Mineralisationstemplate

    NASA Astrophysics Data System (ADS)

    Kasparova, Pavla

    2002-07-01

    Die vorliegende Arbeit beschäftigt sich mit der Synthese und den Eigenschaften von doppelthydrophilen Blockcopolymeren und ihrer Anwendung in einem biomimetischen Mineralisationsprozeß von Calciumcarbonat und Bariumsulfat. Doppelthydrophile Blockcopolymere bestehen aus einem hydrophilen Block, der nicht mit Mineralien wechselwirkt und einem zweiten Polyelektrolyt-Block, der stark mit Mineraloberflächen wechselwirkt. Diese Blockcopolymere wurden durch ringöffnende Polymerisation von N-carboxyanhydriden (NCA's) und a-methoxy-ω-amino[poly(ethylene glycol)] PEG-NH2 als Initiator hergestellt. Die hergestellten Blockcopolymere wurden als effektive Wachstumsmodifikatoren für die Kristallisation von Calciumcarbonat und Bariumsulfat Mineralien eingesetzt. Die so erhaltenen Mineralpartikel (Kugeln, Hantel, eiförmige Partikel) wurden durch Lichtmikroskopie in Lösung, SEM und TEM charakterisiert. Röntgenweitwinkelstreuung (WAXS) wurde verwendet, um die Modifikation von Calciumcarbonat zu ermitteln und die Größe der Calciumcarbonat- und Bariumsulfat-Nanopartikel zu ermitteln. This work describes the synthesis and characterization of double hydrophilic block copolymers and their use in a biomimetic mineralization process of Calcium Carbonate and Barium Sulfate. Double hydrophilic block copolymers consist of a hydrophilic block that does not interact with minerals and another hydrophilic polyelectrolyte block that strongly interacts with mineral surfaces. These polymers were synthesised via ring opening polymerisation of N-carboxyanhydride (NCA), and the first hydrophilic block a-methoxy-ω-amino[poly(ethylene glycol)] PEG-NH2 was used as an initiator. The prepared block copolymers were used as effective crystal growth modifiers to control the crystallization of Calcium Carbonate and Barium Sulfate minerals. The resulting mineral particles (spheres, dumbbells, egg-like particles) were characterised by light microscopy in solution, by SEM, and by TEM. X-Ray scattering

  9. Second monoclinic polymorph of 4-[(1H-benzimidazol-1-yl)meth­yl]benzoic acid

    PubMed Central

    Kuai, Hai-Wei; Cheng, Xiao-Chun

    2011-01-01

    Recently, we reported the first monoclinic [Kuai & Cheng (2011). Acta Cryst., E67, o2787] and the ortho­rhom­bic polymorph [Kuai & Cheng (2011). Acta Cryst., E67, o3014] of the title compound, C15H12N2O2. Another monoclinic polymorph was obtained accidentally by the hydro­thermal reaction of the title compound with manganese chloride in the presence of potassium hydroxide at 413 K. The asymmetric unit consists of four independent mol­ecules. In the crystal, O—H⋯N hydrogen bonds link the independent mol­ecules into four separate chains parallel to the b axis. PMID:22199726

  10. Interfacial reactions and oxidation behavior of Al 2O 3 and Al 2O 3/Al coatings on an orthorhombic Ti 2AlNb alloy

    NASA Astrophysics Data System (ADS)

    Li, H. Q.; Wang, Q. M.; Gong, J.; Sun, C.

    2011-02-01

    The uniform and dense Al2O3 and Al2O3/Al coatings were deposited on an orthorhombic Ti2AlNb alloy by filtered arc ion plating. The interfacial reactions of the Al2O3/Ti2AlNb and Al2O3/Al/Ti2AlNb specimens after vacuum annealing at 750 °C were studied. In the Al2O3/Ti2AlNb specimens, the Al2O3 coating decomposed significantly due to reaction between the Al2O3 coating and the O-Ti2AlNb substrate. In the Al2O3/Al/Ti2AlNb specimens, a γ-TiAl layer and an Nb-rich zone came into being by interdiffusion between the Al layer and the O-Ti2AlNb substrate. The γ-TiAl layer is chemically compatible with Al2O3, with no decomposition of Al2O3 being detected. No internal oxidation or oxygen and nitrogen dissolution zone was observed in the O-Ti2AlNb alloy. The Al2O3/Al/Ti2AlNb specimens exhibited excellent oxidation resistance at 750 °C.

  11. Rub' al Khali, Arabia

    NASA Technical Reports Server (NTRS)

    2008-01-01

    The Rub' al Khali is one of the largest sand deserts in the world, encompassing most of the southern third of the Arabian Peninsula. It includes parts of Oman, United Arab Emirates, and Yemen. The desert covers 650,000 square kilometers, more than the area of France. Largely unexplored until recently, the desert is 1000 km long and 500 km wide. The first documented journeys made by Westerners were those of Bertram Thomas in 1931 and St. John Philby in 1932. With daytime temperatures reaching 55 degrees Celsius, and dunes taller than 330 meters, the desert may be one of the most forbidding places on Earth.

    The image was acquired December 2, 2005, covers an area of 54.8 x 61.9 km, and is located near 20.7 degrees north latitude, 53.6 degrees east longitude.

    The U.S. science team is located at NASA's Jet Propulsion Laboratory, Pasadena, Calif. The Terra mission is part of NASA's Science Mission Directorate.

  12. The active site of hen egg-white lysozyme: flexibility and chemical bonding

    SciTech Connect

    Held, Jeanette Smaalen, Sander van

    2014-04-01

    Chemical bonding at the active site of lysozyme is analyzed on the basis of a multipole model employing transferable multipole parameters from a database. Large B factors at low temperatures reflect frozen-in disorder, but therefore prevent a meaningful free refinement of multipole parameters. Chemical bonding at the active site of hen egg-white lysozyme (HEWL) is analyzed on the basis of Bader’s quantum theory of atoms in molecules [QTAIM; Bader (1994 ▶), Atoms in Molecules: A Quantum Theory. Oxford University Press] applied to electron-density maps derived from a multipole model. The observation is made that the atomic displacement parameters (ADPs) of HEWL at a temperature of 100 K are larger than ADPs in crystals of small biological molecules at 298 K. This feature shows that the ADPs in the cold crystals of HEWL reflect frozen-in disorder rather than thermal vibrations of the atoms. Directly generalizing the results of multipole studies on small-molecule crystals, the important consequence for electron-density analysis of protein crystals is that multipole parameters cannot be independently varied in a meaningful way in structure refinements. Instead, a multipole model for HEWL has been developed by refinement of atomic coordinates and ADPs against the X-ray diffraction data of Wang and coworkers [Wang et al. (2007), Acta Cryst. D63, 1254–1268], while multipole parameters were fixed to the values for transferable multipole parameters from the ELMAM2 database [Domagala et al. (2012), Acta Cryst. A68, 337–351] . Static and dynamic electron densities based on this multipole model are presented. Analysis of their topological properties according to the QTAIM shows that the covalent bonds possess similar properties to the covalent bonds of small molecules. Hydrogen bonds of intermediate strength are identified for the Glu35 and Asp52 residues, which are considered to be essential parts of the active site of HEWL. Furthermore, a series of weak C

  13. Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization.

    PubMed

    Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan

    2016-01-01

    Crystal engineering can be described as the understanding of intermolecular interactions in the context of crystal packing and the utilization of such understanding to design new solids with desired physical and chemical properties. Free-energy differences between supramolecular isomers are generally small and minor changes in the crystallization conditions may result in the occurrence of new isomers. The study of supramolecular isomerism will help us to understand the mechanism of crystallization, a very central concept of crystal engineering. Two supramolecular isomers of dichloridobis(1,10-phenanthroline-κ(2)N,N')cobalt(II), [CoCl2(C12H8N2)2], i.e. (IA) (orthorhombic) and (IB) (monoclinic), and two supramolecular isomers of dichloridobis(1,10-phenanthroline-κ(2)N,N')cobalt(II) N,N-dimethylformamide monosolvate, [CoCl2(C12H8N2)2]·C3H7NO, i.e. (IIA) (orthorhombic) and (IIB) (monoclinic), were synthesized in dimethylformamide (DMF) and structurally characterized. Of these, (IA) and (IIA) have been prepared and structurally characterized previously [Li et al. (2007). Acta Cryst. E63, m1880-m1880; Cai et al. (2008). Acta Cryst. E64, m1328-m1329]. We found that the heating rate is a key factor for the crystallization of (IA) or (IB), while the temperature difference is responsible for the crystallization of (IIA) or (IIB). Based on the crystallization conditions, isomerization behaviour, the KPI (Kitajgorodskij packing index) values and the density data, (IB) and (IIA) are assigned as the thermodynamic and stable kinetic isomers, respectively, while (IA) and (IIB) are assigned as the metastable kinetic products. The 1,10-phenanthroline (phen) ligands interact with each other through offset face-to-face (OFF) π-π stacking in (IB) and (IIB), but by edge-to-face (EF) C-H...π interactions in (IA) and (IIA). Meanwhile, the DMF molecules in (IIB) connect to neighbouring [CoCl2(phen)2] units through two C-H...Cl hydrogen bonds, whereas there are no obvious interactions

  14. Triclinic polymorph of 4-[4-(4-formyl-phen-oxy)but-oxy]benzaldehyde.

    PubMed

    Balić, Tomislav; Marković, Berislav; Balić, Ivana

    2013-01-01

    The title compound, C18H18O4, is a triclinic polymorph of the previously reported monoclinic polymorph [Han & Zhen (2005 ▶). Acta Cryst. E61, o4358-o4359]. In the crystal of the triclinic polymorph, molecules are linked by two pairs of C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (102), and enclosing loops with graph set motifs of R2(2)(8) and R2(2)(6). PMID:23476387

  15. Triclinic polymorph of 4-[4-(4-formyl­phen­oxy)but­oxy]benzaldehyde

    PubMed Central

    Balić, Tomislav; Marković, Berislav; Balić, Ivana

    2013-01-01

    The title compound, C18H18O4, is a triclinic polymorph of the previously reported monoclinic polymorph [Han & Zhen (2005 ▶). Acta Cryst. E61, o4358–o4359]. In the crystal of the triclinic polymorph, molecules are linked by two pairs of C—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (102), and enclosing loops with graph set motifs of R 2 2(8) and R 2 2(6). PMID:23476387

  16. Alexandria (Al Iskandariya), Egypt

    NASA Technical Reports Server (NTRS)

    2002-01-01

    This image of Alexandria was taken by astronauts on board the International Space Station in December 2000 using an Electronic Still Camera. A wider-angle view (STS088-739-90) taken from the Space Shuttle in December 1998 is available for context. Alexandria (Al Iskandariya) occupies a T-shaped peninsula and strip of land separating the Mediterranean from Lake Mariout. Originally the town was built upon a mole (stone breakwater) called Heptastadium, which joined the island of Pharos (see referenced website, below) to the mainland. Since then sedimentary deposits have widened the mole. Since 1905, when the 370,000 Alexandrians lived in an area of about 4 sq km between the two harbors, the city (population 4 million; see referenced website, below) has grown beyond its medieval walls and now occupies an area of about 300 sq km. The Mahmudiya Canal, connecting Alexandria with the Nile, runs to the south of the city and, by a series of locks, enters the harbor of the principal port of Egypt (note ships). The reddish and ochre polygons west of Lake Mariout are salt-evaporation, chemical-storage, and water-treatment ponds within the coastal lagoon. Reference Youssef Halim and Fatma Abou Shouk, 2000, Human impacts on Alexandria's marine environment: UNESCO, Coastal Regions and Small Islands Unit (CSI), Coastal Management Sourcebooks 2 (accessed December 20, 2000) Additional photographs taken by astronauts can be viewed at NASA-JSC's Gateway to Astronaut Photography of Earth. Image ISS001-ESC-5025 provided by the Earth Sciences and Image Analysis Laboratory, Johnson Space Center.

  17. Undulators at the ALS

    SciTech Connect

    Hoyer, E.; Akre, J.; Chin, J.

    1994-07-01

    At Lawrence Berkeley Laboratory`s (LBL) Advanced Light Source (ALS), three 4.6 m long undulators have been completed, tested and installed. A fourth is under construction. The completed undulators include two 5.0 cm period length, 89 period devices (U5.0s) which achieve a 0.85 T effective field at a 14 mm minimum gap and a 8.0 cm period length, 55 period device (U8.0) that reaches a 1.2 T effective field at a 14 mm minimum gap. The undulator under construction is a 10.0 cm period length, 43 period device (U10.0) that is designed to achieve 0.98 T at a 23 mm gap. Undulator magnetic gap variation (rms) is within 25 microns over the periodic structure length. Reproducibility of the adjustable magnetic gap has been measured to be within +/{minus} 5 microns. Gap adjusting range is from 14 mm to 210 mm, which can be scanned in one minute. The 5.1 m long vacuum chambers are flat in the vertical direction to within 0.74 mm and straight in the horizontal direction to within 0.08 mm over the 4.6 m magnetic structure sections. Vacuum chamber base pressures after UHV beam conditioning are. in the mid 10{sup {minus}11} Torr range and storage ring operating pressures with full current are in the low 10{sup {minus}10} Torr range. Measurements show that the uncorrelated magnetic field errors are 0.23%, and 0.20% for the two U5.Os and the U8.0 respectively and that the field integrals are small over the 1 cm by 6 cm beam aperture. Device description, fabrication, and measurements are presented.

  18. Thermal Modeling of Al-Al and Al-Steel Friction Stir Spot Welding

    NASA Astrophysics Data System (ADS)

    Jedrasiak, P.; Shercliff, H. R.; Reilly, A.; McShane, G. J.; Chen, Y. C.; Wang, L.; Robson, J.; Prangnell, P.

    2016-07-01

    This paper presents a finite element thermal model for similar and dissimilar alloy friction stir spot welding (FSSW). The model is calibrated and validated using instrumented lap joints in Al-Al and Al-Fe automotive sheet alloys. The model successfully predicts the thermal histories for a range of process conditions. The resulting temperature histories are used to predict the growth of intermetallic phases at the interface in Al-Fe welds. Temperature predictions were used to study the evolution of hardness of a precipitation-hardened aluminum alloy during post-weld aging after FSSW.

  19. Modeling neuronal vulnerability in ALS.

    PubMed

    Roselli, Francesco; Caroni, Pico

    2014-08-20

    Using computational models of motor neuron ion fluxes, firing properties, and energy requirements, Le Masson et al. (2014) reveal how local imbalances in energy homeostasis may self-amplify and contribute to neurodegeneration in ALS. PMID:25144872

  20. Philosophieren als Unterrichtsprinzip im Mathematikunterricht

    NASA Astrophysics Data System (ADS)

    Meerwaldt, Diana

    Philosophieren und Mathematik scheinen zunächst gegensätzliche Bereiche zu sein, die sich kaum vereinbaren lassen. Dies trifft für eine Auffassung zu, die Philosophieren als "Gerede" disqualifiziert und Mathematik als eine reine "Formelwissenschaft" begreift. Beide Auffassungen werden den Gegenständen nicht gerecht.

  1. Characteristics of CeCoIn5/Al/AlOx/Nb and CeCoIn5/Al/AlOx/Al Tunnel Junctions

    SciTech Connect

    Petrovic, C.; Nevirkovets, I.P.; Chernyashevskyy, O.; Hu, R.; Ketterson, J.B.; Sarma, B.K.

    2009-03-03

    We report characteristics of CeCoIn{sub 5}/Al/AlO{sub x}/Nb and CeCoIn{sub 5}/Al/AlO{sub x}/Al tunnel junctions fabricated on the (0 0 1) surface of CeCoIn{sub 5} crystal platelets. The main result of this work is the observation of a low Josephson current (as compared with that expected from the Ambegaokar-Baratoff formula), which is consistent with idea that the order parameter in the heavy-fermion superconductor CeCoIn{sub 5} has unconventional pairing symmetry.

  2. Single-Crystal Elastic Properties of the Spinel (MgAl2O4) - Galaxite (MnAl2O4) Solid Solution Series

    NASA Astrophysics Data System (ADS)

    Speziale, S.; Bruschini, E.; Andreozzi, G. B.; Bosi, F.; Hålenius, U.

    2014-12-01

    correlations based on experimental data and simple models of interatomic interactions can successfully reproduce the relationship between chemical composition and elastic properties of oxide spinels. References: [1] Hazen, R. M. (1988) Am. J. Sci., 288-A, 242; [2] Bosi, F., et al. (2011) Am. Mineral., 96, 594; [3] Shannon, R.D. (1976) Acta Crystall., A32, 751.

  3. Protein energy landscapes determined by five-dimensional crystallography

    SciTech Connect

    Schmidt, Marius; Srajer, Vukica; Henning, Robert; Ihee, Hyotcherl; Purwar, Namrta; Tenboer, Jason; Tripathi, Shailesh

    2013-12-01

    Barriers of activation within the photocycle of a photoactive protein were extracted from comprehensive time courses of time resolved crystallographic data collected at multiple temperature settings. Free-energy landscapes decisively determine the progress of enzymatically catalyzed reactions [Cornish-Bowden (2012 ▶), Fundamentals of Enzyme Kinetics, 4th ed.]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [Moffat (2001 ▶), Chem. Rev.101, 1569–1581; Schmidt et al. (2005 ▶), Methods Mol. Biol.305, 115–154; Schmidt (2008 ▶), Ultrashort Laser Pulses in Medicine and Biology] because both can be determined from the same set of X-ray data. Here, it is demonstrated how barriers of activation can be determined solely from five-dimensional crystallography, where in addition to space and time, temperature is a variable as well [Schmidt et al. (2010 ▶), Acta Cryst. A66, 198–206]. Directly linking molecular structures with barriers of activation between them allows insight into the structural nature of the barrier to be gained. Comprehensive time series of crystallographic data at 14 different temperature settings were analyzed and the entropy and enthalpy contributions to the barriers of activation were determined. One hundred years after the discovery of X-ray scattering, these results advance X-ray structure determination to a new frontier: the determination of energy landscapes.

  4. Etude structurale et vibrationnelle d'un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl.

    PubMed

    Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

    2015-10-01

    In the title complex, chlorido-tetra-kis-(1H-imidazole-κN (3))cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the Co(II) cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49-56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324-m1326]. In the crystal, the [CoCl(C3H4N2)4](+) cations and Cl(-) anions are linked via N-H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C-H⋯Cl hydrogen bonds and C-H⋯π and π-π [inter-centroid distance = 3.794 (2) Å] inter-actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho-rhom-bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1). PMID:26594402

  5. Direct phasing in femtosecond nanocrystallography. I. Diffraction characteristics

    PubMed Central

    Chen, Joe P. J.; Spence, John C. H.; Millane, Rick P.

    2014-01-01

    X-ray free-electron lasers solve a number of difficulties in protein crystallography by providing intense but ultra-short pulses of X-rays, allowing collection of useful diffraction data from nanocrystals. Whereas the diffraction from large crystals corresponds only to samples of the Fourier amplitude of the molecular transform at the Bragg peaks, diffraction from very small crystals allows measurement of the diffraction amplitudes between the Bragg samples. Although highly attenuated, these additional samples offer the possibility of iterative phase retrieval without the use of ancillary experimental data [Spence et al. (2011 ▸). Opt. Express, 19, 2866–2873]. This first of a series of two papers examines in detail the characteristics of diffraction patterns from collections of nanocrystals, estimation of the molecular transform and the noise characteristics of the measurements. The second paper [Chen et al. (2014 ▸). Acta Cryst. A70, 154–161] examines iterative phase-retrieval methods for reconstructing molecular structures in the presence of the variable noise levels in such data. PMID:24572315

  6. Protein energy landscapes determined by five-dimensional crystallography

    PubMed Central

    Schmidt, Marius; Srajer, Vukica; Henning, Robert; Ihee, Hyotcherl; Purwar, Namrta; Tenboer, Jason; Tripathi, Shailesh

    2013-01-01

    Free-energy landscapes decisively determine the progress of enzymatically catalyzed reactions [Cornish-Bowden (2012 ▶), Fundamentals of Enzyme Kinetics, 4th ed.]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [Moffat (2001 ▶), Chem. Rev. 101, 1569–1581; Schmidt et al. (2005 ▶), Methods Mol. Biol. 305, 115–154; Schmidt (2008 ▶), Ultrashort Laser Pulses in Medicine and Biology] because both can be determined from the same set of X-ray data. Here, it is demonstrated how barriers of activation can be determined solely from five-dimensional crystallo­graphy, where in addition to space and time, temperature is a variable as well [Schmidt et al. (2010 ▶), Acta Cryst. A66, 198–206]. Directly linking molecular structures with barriers of activation between them allows insight into the structural nature of the barrier to be gained. Comprehensive time series of crystallo­graphic data at 14 different temperature settings were analyzed and the entropy and enthalpy contributions to the barriers of activation were determined. One hundred years after the discovery of X-ray scattering, these results advance X-ray structure determination to a new frontier: the determination of energy landscapes. PMID:24311594

  7. Ring-strain release in neutral and dicationic 7,8,17,18-tetra-bromo-5,10,15,20-tetra-phenyl-porphyrin: crystal structures of C44H26Br4N4 and C44H28Br4N4 (2+)·2ClO4 (-)·3CH2Cl2.

    PubMed

    Scheidt, W Robert; Duval, Hugues F; Oliver, Allen G

    2016-06-01

    Two porphyrin complexes were studied to determine the effects of protonation on ring deformation within the porphyrin. The porphyrin 7,8,17,18-tetra-bromo-5,10,15,20-tetra-phenyl-porphyrin, C44H26Br4N4, was selected because the neutral species is readily doubly protonated to yield a dication, which was crystallized here with perchlorate counter-ions as a di-chloro-methane tris-olvate, C44H28Br4N4 (2+)·2ClO4 (-)·3CH2Cl2. The centrosymmetric neutral species is observed to have a mild 'ruffling' of the pyrrole rings and is essentially planar throughout; intra-molecular N-H⋯N hydrogen bonds occur. In contrast, the dication exhibits considerable deformation, with the pyrrole rings oriented well out of the plane of the porphyrin, resulting in a 'saddle' conformation of the ring. The charged species forms N-H⋯O hydrogen bonds to the perchlorate anions, which lie above and below the plane of the porphyrin ring. Distortions to the planarity of the pyrrole rings in both cases are very minor. The characterization of the neutral species represents a low-temperature redetermination of the previous room-temperature analyses [Zou et al. (1995 ▸). Acta Cryst. C51, 760-761; Rayati et al. (2008 ▸). Polyhedron, pp. 2285-2290], which showed disorder and physically unrealistic displacement parameters. PMID:27308051

  8. Stimulated emission in AlGaN/AlGaN quantum wells with different Al content

    NASA Astrophysics Data System (ADS)

    Mickevičius, J.; Jurkevičius, J.; Kazlauskas, K.; Žukauskas, A.; Tamulaitis, G.; Shur, M. S.; Shatalov, M.; Yang, J.; Gaska, R.

    2012-02-01

    Stimulated emission (SE) is studied in AlGaN/AlGaN multiple quantum wells (MQWs) with different Al content grown on sapphire substrate. The spectra of spontaneous and stimulated emission and their transformations with increasing temperature as well as stimulated emission thresholds were measured in the temperature range from 8 to 300 K. Phonon-assisted band broadening in low-Al-content MQWs and double-scaled potential profile in high-Al-content MQWs were observed in the samples and linked with carrier localization conditions. The temperature dependence of the stimulated emission threshold was similar in the samples where the stimulated transitions occur between extended states and in the samples where the transitions occur in localized states. The stimulated emission threshold depends predominantly on the density of nonradiative recombination centers.

  9. Medical application of 26Al

    NASA Astrophysics Data System (ADS)

    Steinhausen, C.; Gerisch, P.; Heisinger, B.; Hohl, Ch.; Kislinger, G.; Korschinek, G.; Niedermayer, M.; Nolte, E.; Dumitru, M.; Alvarez-Brückmann, M.; Schneider, M.; Ittel, T. H.

    1996-06-01

    Accelerator mass spectrometry (AMS) measurements with 26Al as tracer were performed in order to study the aluminium metabolism and anomalies in the human body and in rats. In particular, the differences between healthy volunteers and patients with renal failure were investigated. The obtained data points of 26Al in blood and urine were described by an open compartment model with three peripheral compartments. It was found that the minimum of peripheral compartments needed to describe 26Al concentrations in blood and urine over a time period of three years is at least three.

  10. In memory of Al Cameron

    NASA Astrophysics Data System (ADS)

    Cowan, John; Truran, James W.

    Al Cameron, who died recently (October 3, 2005) at 80, was one of the giants in astrophysics. His insights were profound and his interests were wide-ranging. Originally trained as a nuclear physicist, he made major contributions in a number of fields, including nuclear reactions in stars, nucleosynthesis, the abundances of the elements in the Solar System, and the origin of the Solar System and the Moon. In 1957, Cameron and, independently, Burbidge, Burbidge, Fowler and Hoyle, wrote seminal papers on nuclear astrophysics. Most of our current ideas concerning ele- ment formation in stars have followed from those two pioneering and historical works. Al also made many contributions in the field of Solar System physics. Particularly noteworthy in this regard was Cameron's work on the formation of the Moon. Al was also a good friend and mentor of young people. Al Cameron will be missed by many in the community both for his scientific contributions and for his friendship.

  11. Reply to Gopalswamy et al.

    NASA Technical Reports Server (NTRS)

    Cane, H. V.; Richardson, I. G.

    2003-01-01

    The comment of Gopalswamy et al. (thereafter GMY) relates to a letter discussing coronal mass ejections (CMEs), interplanetary ejecta and geomagnetic storms. GMY contend that Cane et al. incorrectly identified ejecta (interplanetary CMEs) and hypothesize that this is because Cane et al. fail to understand how to separate ejecta from "shock sheaths" when interpreting solar wind and energetic particle data sets. They (GMY) are wrong be cause the relevant section of the paper was concerned with the propagation time to 1 AU of any potentially geoeffective structures caused by CMEs, i.e. upstream compression regions with or without shocks, or ejecta. In other words, the travel times used by Cane et al. were purposefully and deliberately distinct from ejecta travel times (except for those slow ejecta, approx. 30% of their events, which generated no upstream features), and no error in identification was involved. The confusion of GMY stems from the description did not characterize the observations sufficiently clearly.

  12. Comparing the Thermodynamic Behaviour of Al(1)+ZrO2(s) to Al(1)+Al2O3(s)

    NASA Technical Reports Server (NTRS)

    Copland, Evan

    2004-01-01

    In an effort to better determine the thermodynamic properties of Al(g) and Al2O(g). the vapor in equilibrium with Al(l)+ZrO2(s) was compared to the vapor in equilibrium with Al(l)+Al2O3(s) over temperature range 1197-to-1509K. The comparison was made directly by Knudsen effusion-cell mass spectrometry with an instrument configured for a multiple effusion-cell vapor source (multi-cell KEMS). Second law enthalpies of vaporization of Al(g) and Al2O(g) together with activity measurements show that Al(l)+ZrO2(s) is thermodynamically equivalent to Al(l)+Al2O3(s), indicating Al(l) remained pure and Al2O3(s) was present in the ZrO2-cell. Subsequent observation of the Al(l)/ZrO2 and vapor/ZrO2 interfaces revealed a thin Al2O3-layer had formed, separating the ZrO2-cell from Al(l) and Al(g)+Al2O(g), effectively transforming it into an Al2O3 effusion-cell. This behavior agrees with recent observations made for Beta-NiAl(Pt) alloys measured in ZrO2 effusion-cell.

  13. Corrosion Behavior of Al-Al3Ni and Al-Al2Cu Functionally Graded Materials Fabricated by a Centrifugal Method

    NASA Astrophysics Data System (ADS)

    Noda, Kazuhiko; Miyahara, Keita; Watanabe, Yoshimi

    2008-02-01

    Intermetallic compounds, such as Al3Ni and Al2Cu, are effective for enhancing the mechanical properties of an alloy. Al-Al3Ni and Al-Al2Cu functionally graded materials (FGMs) might be attractive materials for advanced materials. Al-Al3Ni and Al-Al2Cu FGMs were fabricated by a centrifugal method; the centrifugal method is an extremely effective method for fabricating FGMs. Al-Al3Ni and Al-Al2Cu FGMs that had a graded distribution of intermetallic compounds could be produced by this in-situ centrifugal method. Particle size, particle shape and the distribution of intermetallic compounds were controlled by varying the content of the alloy element (Ni, Cu) in the master alloy, the cooling rate in casting and the gravity number. The casting mechanism is explained in terms of the microstructures of the Al-Al3Ni and Al-Al2Cu FGMs fabricated by this method. The corrosion behavior of the FGMs was investigated by electrochemical analysis. Polarization curves of the FGMs in a borate solution were measured by a potentiodynamic method. The presence of Al2Cu exerted a larger effect on the corrosion behavior of the FGMs than Al3Ni. Analysis of the polarization curve parameters was effective for evaluating the corrosion resistance of the FGMs.

  14. Ab initio modeling of zincblende AlN layer in Al-AlN-TiN multilayers

    NASA Astrophysics Data System (ADS)

    Yadav, S. K.; Wang, J.; Liu, X.-Y.

    2016-06-01

    An unusual growth mechanism of metastable zincblende AlN thin film by diffusion of nitrogen atoms into Al lattice is established. Using first-principles density functional theory, we studied the possibility of thermodynamic stability of AlN as a zincblende phase due to epitaxial strains and interface effect, which fails to explain the formation of zincblende AlN. We then compared the formation energetics of rocksalt and zincblende AlN in fcc Al through direct diffusion of nitrogen atoms to Al octahedral and tetrahedral interstitials. The formation of a zincblende AlN thin film is determined to be a kinetically driven process, not a thermodynamically driven process.

  15. High Density Sliding at Ta/Al and Al/Al Interfaces

    SciTech Connect

    Hammerberg, J. E.; Germann, T. C.; Ravelo, R.

    2006-07-28

    We present 3D-nonequilibrium molecular dynamics results for the velocity dependence of the frictional force at smooth sliding interfaces for Ta and Al single crystals. For Ta/Al we consider Al(100)/Ta(100) and Al(111)/Ta(110) interfaces sliding along [001] and [11(bar sign)0]fcc /[001]bcc respectively. These are compared with Al(111)/Al(100) interfaces at the same loads, corresponding to a pressure of 15 GPa. Both interfacial pairs show similar behavior in the velocity dependence of the frictional force: a low velocity regime with an increasing frictional force followed by a strain induced transformation regime at velocities above approximately 1/10 the transverse sound speed, followed by a fluidized interface at high velocities. For both interfacial pairs, the high velocity dependence of the frictional force exhibits power law behavior, Ft {proportional_to} v-{beta} with {beta}=3/4. We discuss the structural changes that influence dissipation in each of these regimes.

  16. Superconductivity in Al/Al2O3 interface

    NASA Astrophysics Data System (ADS)

    Palnichenko, A. V.; Vyaselev, O. M.; Mazilkin, A. A.; Khasanov, S. S.

    2016-06-01

    Metastable superconductivity at Tc ≈ 65 K has been observed in Al foil subjected to special oxidation process, according to the ac magnetic susceptibility and electrical resistance measurements. Comparison of the ac susceptibility and the dc magnetization measurements infers that the superconductivity arises within the interfacial granular layer formed during the oxidation process between metallic aluminum and its oxide.

  17. AlN/Fe/AlN nanostructures for magnetooptic magnetometry

    SciTech Connect

    Lišková-Jakubisová, E. Višňovský, Š.; Široký, P.; Hrabovský, D.; Pištora, J.

    2014-05-07

    AlN/Fe/AlN/Cu nanostructures with ultrathin Fe grown by sputtering on Si substrates are evaluated as probes for magnetooptical (MO) mapping of weak currents. They are considered for a laser wavelength of λ = 410 nm (3.02 eV) and operate at oblique light incidence angles, φ{sup (0)}, to enable detection of both in-plane and out-of-plane magnetization. Their performance is evaluated in terms of MO reflected wave electric field amplitudes. The maximal MO amplitudes in AlN/Fe/AlN/Cu are achieved by a proper choice of layer thicknesses. The nanostructures were characterized by MO polar Kerr effect at φ{sup (0)} ≈ 5° and longitudinal Kerr effect spectra (φ{sup (0)} = 45°) at photon energies between 1 and 5 eV. The nominal profiles were refined using a model-based analysis of the spectra. Closed form analytical expressions are provided, which are useful in the search for maximal MO amplitudes.

  18. ALS - A unique design approach

    NASA Astrophysics Data System (ADS)

    Chamberlain, Roger A.

    1990-09-01

    An advanced launch system (ALS), which is intended to be flexible and to deliver a wide range of payloads at a reduced cost, is discussed. The ALS concept also features total quality management, modular subsystems, standardized interfaces, standardized missions, and off-line payload encapsulation. The technological improvements include manufacturing of dry structures, use of composite materials, adaptive guidance and control systems, and laser-initiated radar systems. The operational improvements range from paperless management, to rocket engine leak detection devices and automated ground operations.

  19. Crystal structure of a new monoclinic polymorph of N-(4-methyl­phen­yl)-3-nitro­pyridin-2-amine

    PubMed Central

    Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R. T.

    2014-01-01

    The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z′ = 4) of the previously reported monoclinic (P21/c, with Z′ = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol­ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra­molecular amine–nitro N—H⋯O hydrogen bond. The differences between mol­ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6–311 g+(d,p) basis set] has the same features except that the entire mol­ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C—H⋯O, C—H⋯π, nitro-N—O⋯π and π–π inter­actions [inter-centroid distances = 3.649 (2)–3.916 (2) Å]. PMID:25249854

  20. Structure of Physarum polycephalum cytochrome b{sub 5} reductase at 1.56 Å resolution

    SciTech Connect

    Kim, Sangwoo; Suga, Michihiro; Ogasahara, Kyoko; Ikegami, Terumi; Minami, Yoshiko; Yubisui, Toshitsugu; Tsukihara, Tomitake

    2007-04-01

    The structure of P. polycephalum cytochrome b{sub 5} reductase, an enzyme which catalyzes the reduction of cytochrome b{sub 5} by NADH, was determined at a resolution of 1.56 Å. Physarum polycephalum cytochrome b{sub 5} reductase catalyzes the reduction of cytochrome b{sub 5} by NADH. The structure of P. polycephalum cytochrome b{sub 5} reductase was determined at a resolution of 1.56 Å. The molecular structure was compared with that of human cytochrome b{sub 5} reductase, which had previously been determined at 1.75 Å resolution [Bando et al. (2004 ▶), Acta Cryst. D60, 1929–1934]. The high-resolution structure revealed conformational differences between the two enzymes in the adenosine moiety of the FAD, the lid region and the linker region. The structural properties of both proteins were inspected in terms of hydrogen bonding, ion pairs, accessible surface area and cavity volume. The differences in these structural properties between the two proteins were consistent with estimates of their thermostabilities obtained from differential scanning calorimetry data.

  1. Can I solve my structure by SAD phasing? Planning an experiment, scaling data and evaluating the useful anomalous correlation and anomalous signal

    DOE PAGESBeta

    Terwilliger, Thomas C.; Bunkóczi, Gábor; Hung, Li-Wei; Zwart, Peter H.; Smith, Janet L.; Akey, David L.; Adams, Paul D.

    2016-03-01

    A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. Here, we describe algorithms and tools for evaluating and optimizing the useful anomalous correlation and the anomalous signal in a SAD experiment. A simple theoretical framework [Terwilliger et al.(2016),Acta Cryst.D72, 346–358] is used to develop methods for planning a SAD experiment, scaling SAD data sets and estimating the useful anomalous correlation and anomalous signal in a SAD data set. Thephenix.plan_sad_experimenttool uses a database of solved and unsolved SAD data sets and the expected characteristics of a SAD data set to estimatemore » the probability that the anomalous substructure will be found in the SAD experiment and the expected map quality that would be obtained if the substructure were found. Thephenix.scale_and_mergetool scales unmerged SAD data from one or more crystals using local scaling and optimizes the anomalous signal by identifying the systematic differences among data sets, and thephenix.anomalous_signaltool estimates the useful anomalous correlation and anomalous signal after collecting SAD data and estimates the probability that the data set can be solved and the likely figure of merit of phasing.« less

  2. Can I solve my structure by SAD phasing? Planning an experiment, scaling data and evaluating the useful anomalous correlation and anomalous signal

    PubMed Central

    Terwilliger, Thomas C.; Bunkóczi, Gábor; Hung, Li-Wei; Zwart, Peter H.; Smith, Janet L.; Akey, David L.; Adams, Paul D.

    2016-01-01

    A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. Here, algorithms and tools for evaluating and optimizing the useful anomalous correlation and the anomalous signal in a SAD experiment are described. A simple theoretical framework [Terwilliger et al. (2016 ▸), Acta Cryst. D72, 346–358] is used to develop methods for planning a SAD experiment, scaling SAD data sets and estimating the useful anomalous correlation and anomalous signal in a SAD data set. The phenix.plan_sad_experiment tool uses a database of solved and unsolved SAD data sets and the expected characteristics of a SAD data set to estimate the probability that the anomalous substructure will be found in the SAD experiment and the expected map quality that would be obtained if the substructure were found. The phenix.scale_and_merge tool scales unmerged SAD data from one or more crystals using local scaling and optimizes the anomalous signal by identifying the systematic differences among data sets, and the phenix.anomalous_signal tool estimates the useful anomalous correlation and anomalous signal after collecting SAD data and estimates the probability that the data set can be solved and the likely figure of merit of phasing. PMID:26960123

  3. A P212121 polymorph of (+)-clusianone

    PubMed Central

    Vaneesa Nagalingam, Sree; Wong Pik Ching, Janet; Khaled bin Break, Mohammed; Tahir, M. Ibrahim M.; Khoo, Teng-Jin

    2013-01-01

    The title compound, C33H42O4 [systematic name: (1S,5S,7R)-3-benzoyl-4-hy­droxy-8,8-dimethyl-1,5,7-tris­(3-methyl­but-2-­enyl)bi­cyclo­[3.3.1]nona-3-ene-2,9-dione], has a central bi­cyclo­[3.3.1]nonane-2,4,9-trione surrounded by tetra­prenyl­ated and benzoyl groups. The compound was recrystallized several times in methanol using both a slow evaporation method and with a crystal-seeding technique. This subsequently produced diffraction-quality crystals which crystallize in the ortho­rhom­bic space group P212121, in contrast to a previous report of a structure determination in the Pna21 space group [McCandlish et al. (1976 ▶). Acta Cryst. B32, 1793–1801]. The title compound has a melting point of 365–366 K, and a specific rotation [α]20 value of +51.94°. A strong intra­molecular O—H⋯O hydrogen bond is noted. In the crystal, mol­ecules are assembled in the ab plane by weak C—H⋯O inter­actions. PMID:24860292

  4. Magnetic structure determination from the magnetic pair distribution function (mPDF): ground state of MnO.

    PubMed

    Frandsen, Benjamin A; Billinge, Simon J L

    2015-05-01

    An experimental determination of the magnetic pair distribution function (mPDF) defined in an earlier paper [Frandsen et al. (2014). Acta Cryst. A70, 3-11] is presented for the first time. The mPDF was determined from neutron powder diffraction data from a reactor and a neutron time-of-flight total scattering source on a powder sample of the antiferromagnetic oxide MnO. A description of the data treatment that allowed the measured mPDF to be extracted and then modelled is provided and utilized to investigate the low-temperature structure of MnO. Atomic and magnetic co-refinements support the scenario of a locally monoclinic ground-state atomic structure, despite the average structure being rhombohedral, with the mPDF analysis successfully recovering the known antiferromagnetic spin configuration. The total scattering data suggest a preference for the spin axis to lie along the pseudocubic [10{\\overline 1}] direction. Finally, r-dependent PDF refinements indicate that the local monoclinic structure tends toward the average rhombohedral R{\\overline 3}m symmetry over a length scale of approximately 100 Å. PMID:25921501

  5. Crystal structure of a new monoclinic polymorph of N-(4-methyl-phen-yl)-3-nitro-pyridin-2-amine.

    PubMed

    Aznan, Aina Mardia Akhmad; Abdullah, Zanariah; Lee, Vannajan Sanghiran; Tiekink, Edward R T

    2014-08-01

    The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, with Z' = 4) of the previously reported monoclinic (P21/c, with Z' = 2) form [Akhmad Aznan et al. (2010 ▶). Acta Cryst. E66, o2400]. Four independent mol-ecules comprise the asymmetric unit, which have the common features of a syn disposition of the pyridine N atom and the toluene ring, and an intra-molecular amine-nitro N-H⋯O hydrogen bond. The differences between mol-ecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6-311 g+(d,p) basis set] has the same features except that the entire mol-ecule is planar. In the crystal, the three-dimensional architecture is consolidated by a combination of C-H⋯O, C-H⋯π, nitro-N-O⋯π and π-π inter-actions [inter-centroid distances = 3.649 (2)-3.916 (2) Å]. PMID:25249854

  6. Comparison of racemic epi-inosose and (-)-epi-inosose.

    PubMed

    Krishnaswamy, Shobhana; Patil, Madhuri T; Shashidhar, Mysore S

    2011-11-01

    The conversion of myo-inositol to epi-inositol can be achieved by the hydride reduction of an intermediate epi-inosose derived from myo-inositol. (-)-epi-Inosose, (I), crystallized in the monoclinic space group P2(1), with two independent molecules in the asymmetric unit [Hosomi et al. (2000). Acta Cryst. C56, e584-e585]. On the other hand, (2RS,3SR,5SR,6SR)-epi-inosose, C(6)H(10)O(6), (II), crystallized in the orthorhombic space group Pca2(1). Interestingly, the conformation of the molecules in the two structures is nearly the same, the only difference being the orientation of the C-3 and C-4 hydroxy H atoms. As a result, the molecular organization achieved mainly through strong O-H···O hydrogen bonding in the racemic and homochiral lattices is similar. The compound also follows Wallach's rule, in that the racemic crystals are denser than the optically active form. PMID:22051958

  7. Redetermined structure of 4,4'-bi-pyridine-1,4-phenyl-enedi-acetic acid (1/1) co-crystal.

    PubMed

    Paul, Rima; Bora, Sanchay Jyoti

    2015-10-01

    The asymmetric unit of the title 1:1 co-crystal, C10H8N2·C10H10O4, consists of one half-mol-ecule each of 4,4'-bi-pyridine and 1,4-phenyl-enedi-acetic acid: the complete mol-ecules are generated by crystallographic inversion centres. The dihedral angle between the -CO2H group and the benzene ring in the diacid is 73.02 (7)°. In the crystal, the components are linked by O-H⋯N hydrogen bonds, generating [1-2-1] chains of alternating amine and carb-oxy-lic acid mol-ecules. The chains are cross-linked by C-H⋯O inter-actions. This structure was previously incorrectly described as a (C10H10N2)(2+)·(C10H8O4)(2-) mol-ecular salt [Jia et al. (2009 ▸). Acta Cryst. E65, o2490-o2490]. PMID:26594486

  8. Enhanced rigid-bond restraints

    SciTech Connect

    Thorn, Andrea; Dittrich, Birger; Sheldrick, George M.

    2012-07-01

    An extension is proposed to the rigid-bond description of atomic thermal motion in crystals. The rigid-bond model [Hirshfeld (1976 ▶). Acta Cryst. A32, 239–244] states that the mean-square displacements of two atoms are equal in the direction of the bond joining them. This criterion is widely used for verification (as intended by Hirshfeld) and also as a restraint in structure refinement as suggested by Rollett [Crystallographic Computing (1970 ▶), edited by F. R. Ahmed et al., pp. 167–181. Copenhagen: Munksgaard]. By reformulating this condition, so that the relative motion of the two atoms is required to be perpendicular to the bond, the number of restraints that can be applied per anisotropic atom is increased from about one to about three. Application of this condition to 1,3-distances in addition to the 1,2-distances means that on average just over six restraints can be applied to the six anisotropic displacement parameters of each atom. This concept is tested against very high resolution data of a small peptide and employed as a restraint for protein refinement at more modest resolution (e.g. 1.7 Å)

  9. A new polymorph of 2,6-dimeth­oxy­benzoic acid

    PubMed Central

    Portalone, Gustavo

    2011-01-01

    A new crystalline form of 2,6-dimeth­oxy­benzoic acid, C9H10O4, crystallizing in a tetra­gonal unit cell has been identified during screening for co-crystals. The asymmetric unit comprises a non-planar independent mol­ecule with a synplanar conformation of the carb­oxy group. The sterically bulky o-meth­oxy substituents force the carb­oxy group to be twisted away from the plane of the benzene ring by 65.72 (15)°. The carb­oxy group is disordered over two sites about the C—C bond [as indicated by the almost equal C—O distances of 1.254 (3) and 1.250 (3) Å], the occupancies of the disordered carboxym H atoms being 0.53 (5) and 0.47 (5). In the known ortho­rhom­bic form reported by Swaminathan et al. [Acta Cryst. (1976), B32, 1897–1900], due to the anti­planar conformation adopted by the OH group, the mol­ecular components are associated in the crystal in chains stabilized by linear O—H⋯O hydrogen bonds. However, in the new tetra­gonal polymorph, mol­ecules form dimeric units via pairs of O—H⋯O hydrogen bonds between the carb­oxy groups. PMID:22199883

  10. Bis[2-(hy-droxy-imino-meth-yl)phenolato]nickel(II): a second monoclinic polymorph.

    PubMed

    Rusanova, Julia A; Buvaylo, Elena A; Rusanov, Eduard B

    2011-01-01

    The title compound, [Ni(C(7)H(6)NO(2))(2)], (I), is a second monoclinic polymorph of the compound, (II), reported by Srivastava et al. [Acta Cryst. (1967), 22, 922] and Mereiter [Private communication (2002) CCDC refcode NISALO01]. The bond lengths and angles are similar in both structures. The mol-ecule in both structures lies on a crystallographic inversion center and both have an inter-nal hydrogen bond. The title compound crystallizes in the space group P2(1)/c (Z = 2), whereas compound (II) is in the space group P2(1)/n (Z = 2) with a similar cell volume but different cell parameters. In both polymorphs, mol-ecules are arranged in the layers but in contrast to the previously published compound (II) where the dihedral angle between the layers is 86.3°, in the title polymorph the same dihedral angle is 29.4°. The structure of (I) is stabilized by strong intra-molecular O-H⋯O hydrogen bonding between the O-H group and the phenolate O atom. PMID:21522882

  11. A second ortho­rhom­bic polymorph of (Z)-3-(9-anthr­yl)-1-(2-thien­yl)prop-2-en-1-one1

    PubMed Central

    Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun

    2010-01-01

    The title heteroaryl chalcone, C21H14OS, is a second ortho­rhom­bic polymorph which crystallizes in the space group P212121. The structure was previously reported [Fun et al. (2009 ▶). Acta Cryst. E65, o2168-o2169] in the space group Pna21. The bond distances and angles are similar in both structures. In contrast, the overall crystal packing is different from that in the first ortho­rhom­bic Pna21 polymorph in which mol­ecules were stacked into columns along the b axis and the thio­phene units of two adjacent columns were stacked in a head to tail fashion. In the present polymorph, mol­ecules are found to dimerize through a weak S⋯S inter­action [3.6513 (7) Å] and these dimers are arranged into sheets parallel to the bc plane. There are no classical hydrogen bonds in the packing which features short C⋯O [3.2832 (2)–3.6251 (9) Å], C⋯S [3.4879 (17)–3.6251 (19) Å] and S⋯O [2.9948 (16) Å] contacts, together with C—H⋯π inter­actions. Similar contacts were found in the other polymorph. PMID:21579743

  12. On the group-theoretical approach to the study of interpenetrating nets.

    PubMed

    Baburin, Igor A

    2016-05-01

    Using group-subgroup and group-supergroup relations, a general theoretical framework is developed to describe and derive interpenetrating 3-periodic nets. The generation of interpenetration patterns is readily accomplished by replicating a single net with a supergroup G of its space group H under the condition that site symmetries of vertices and edges are the same in both H and G. It is shown that interpenetrating nets cannot be mapped onto each other by mirror reflections because otherwise edge crossings would necessarily occur in the embedding. For the same reason any other rotation or roto-inversion axes from G \\ H are not allowed to intersect vertices or edges of the nets. This property significantly narrows the set of supergroups to be included in the derivation of interpenetrating nets. A procedure is described based on the automorphism group of a Hopf ring net [Alexandrov et al. (2012). Acta Cryst. A68, 484-493] to determine maximal symmetries compatible with interpenetration patterns. The proposed approach is illustrated by examples of twofold interpenetrated utp, dia and pcu nets, as well as multiple copies of enantiomorphic quartz (qtz) networks. Some applications to polycatenated 2-periodic layers are also discussed. PMID:27126113

  13. Redetermined structure of 4,4′-bi­pyridine–1,4-phenyl­enedi­acetic acid (1/1) co-crystal

    PubMed Central

    Paul, Rima; Bora, Sanchay Jyoti

    2015-01-01

    The asymmetric unit of the title 1:1 co-crystal, C10H8N2·C10H10O4, consists of one half-mol­ecule each of 4,4′-bi­pyridine and 1,4-phenyl­enedi­acetic acid: the complete mol­ecules are generated by crystallographic inversion centres. The dihedral angle between the –CO2H group and the benzene ring in the diacid is 73.02 (7)°. In the crystal, the components are linked by O—H⋯N hydrogen bonds, generating [1-2-1] chains of alternating amine and carb­oxy­lic acid mol­ecules. The chains are cross-linked by C—H⋯O inter­actions. This structure was previously incorrectly described as a (C10H10N2)2+·(C10H8O4)2− mol­ecular salt [Jia et al. (2009 ▸). Acta Cryst. E65, o2490–o2490]. PMID:26594486

  14. Can I solve my structure by SAD phasing? Planning an experiment, scaling data and evaluating the useful anomalous correlation and anomalous signal.

    PubMed

    Terwilliger, Thomas C; Bunkóczi, Gábor; Hung, Li Wei; Zwart, Peter H; Smith, Janet L; Akey, David L; Adams, Paul D

    2016-03-01

    A key challenge in the SAD phasing method is solving a structure when the anomalous signal-to-noise ratio is low. Here, algorithms and tools for evaluating and optimizing the useful anomalous correlation and the anomalous signal in a SAD experiment are described. A simple theoretical framework [Terwilliger et al. (2016), Acta Cryst. D72, 346-358] is used to develop methods for planning a SAD experiment, scaling SAD data sets and estimating the useful anomalous correlation and anomalous signal in a SAD data set. The phenix.plan_sad_experiment tool uses a database of solved and unsolved SAD data sets and the expected characteristics of a SAD data set to estimate the probability that the anomalous substructure will be found in the SAD experiment and the expected map quality that would be obtained if the substructure were found. The phenix.scale_and_merge tool scales unmerged SAD data from one or more crystals using local scaling and optimizes the anomalous signal by identifying the systematic differences among data sets, and the phenix.anomalous_signal tool estimates the useful anomalous correlation and anomalous signal after collecting SAD data and estimates the probability that the data set can be solved and the likely figure of merit of phasing. PMID:26960123

  15. 2-[(1,3-Benzo­thia­zol-2-yl)imino­meth­yl]-6-meth­oxy­phenol: a new monoclinic polymorph

    PubMed Central

    Affan, Md. Abu; Jessop, Philip G.; Salam, Md. Abdus; Halim, Siti Nadiah Binti Abdul; Tiekink, Edward R. T.

    2013-01-01

    The title compound, C15H12N2O2S, is a P21/c polymorph of a previously reported P21/n polymorph [Büyükgüngör et al. (2004 ▶). Acta Cryst. E60, o1414–o1416]. The dihedral angle between the benzo­thia­zole (r.m.s. deviation = 0.010 Å) and the benzene ring of 7.86 (6)° compares with 10.76 (10)° in the literature structure. The meth­oxy substituent is almost coplanar with the benzene ring to which it is attached [C—O—C—C torsion angle = 178.31 (14)°] and the conformation about the imine bond [1.287 (2) Å] is E. There is an intra­molecular O—H⋯N hydrogen bond and the hy­droxy O and thio­ether S atoms are syn. In the crystal, columns are formed along the b axis as centrosymmetric dimeric aggregates, mediated by C—H⋯O inter­actions and linked by π–π inter­actions between the thia­zole and benzene rings [centroid-to-centroid distance = 3.8256 (10) Å]. PMID:24109355

  16. V1.42In1.83Mo15Se19

    PubMed Central

    Gougeon, Patrick; Gall, Philippe; Salloum, Diala; Potel, Michel

    2010-01-01

    The structure of the title compound, vanadium indium penta­deca­molybdenum nona­deca­selenide, V1.42In1.83Mo15Se19, is isotypic with In2.9Mo15Se19 [Grüttner et al. (1979 ▶). Acta Cryst. B35, 285–292]. It is characterized by two cluster units Mo6Sei 8Sea 6 and Mo9Sei 11Sea 6 (where i represents inner and a apical atoms) that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry and , respectively. The clusters are inter­connected through additional Mo—Se bonds. In the title compound, the V3+ cations replace the trivalent indium atoms present in In2.9Mo15Se19, and a deficiency is observed on the monovalent indium site. One Mo, one Se and the V atom are situated on mirror planes, and two other Se atoms and the In atom are situated on threefold rotation axes. PMID:21587348

  17. Na4.25Mo15S19: a novel ternary reduced molybdenum sulfide containing Mo6 and Mo9 clusters

    PubMed Central

    Salloum, D.; Gougeon, P.; Gall, P.

    2014-01-01

    The structure of tetra­sodium penta­deca­molybdenum nona­deca­sulfide, Na4.25Mo15S19, is isotypic with Na3.9Mo15Se19 [Salloum et al. (2013 ▶). Acta Cryst. E69, i67–i68]. It is characterized by Mo6Si 8Sa 6 and Mo9Si 11Sa 6 (where i represents inner and a apical atoms) cluster units that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c, and have point-group symmetry -3 and -6, respectively. The clusters are inter­connected through additional Mo—S bonds. The Na+ cations occupy inter­unit voids formed by six or seven S atoms. One Mo, one S and one Na site [occupancy 0.751 (12)] are situated on mirror planes, and two other S atoms and one Na site (full occupancy) are situated on threefold rotation axes. PMID:24940190

  18. Na3.88Mo15Se19: a novel ternary reduced molybdenum selenide containing Mo6 and Mo9 clusters

    PubMed Central

    Salloum, Diala; Gougeon, Patrick; Gall, Philippe

    2013-01-01

    The structure of tetrasodium penta­deca­molybdenum nona­deca­selenide, Na3.88Mo15Se19, is isotypic with the In3+xMo15Se19 compounds [Grüttner et al. (1979 ▶). Acta Cryst. B35, 285–292]. It is characterized by two cluster units, Mo6Sei 8Sea 6 and Mo9Sei 11Sea 6 (where i represents inner and a apical atoms), that are present in a 1:1 ratio. The cluster units are centered at Wyckoff positions 2b and 2c and have point-group symmetry -3 and -6, respectively. The clusters are inter­connected through additional Mo—Se bonds. In the title compound, the Na+ cations replace the trivalent as well as the monovalent indium atoms present in In3.9Mo15Se19. One Mo, one Se and one Na atom are situated on mirror planes, and two other Se atoms and one Na atom [occupancy 0.628 (14)] are situated on threefold rotation axes. The crystal studied was twinned by merohedry with refined components of 0.4216 (12) and 0.5784 (12). PMID:24098158

  19. Diosgenin hemihydrate

    PubMed Central

    Hernández Linares, María-Guadalupe; Bernès, Sylvain; Flores-Alamo, Marcos; Guerrero-Luna, Gabriel; Martínez-Gallegos, Anselmo A.

    2012-01-01

    Diosgenin [or (22R,25R)-spirost-5-en-3β-ol] is the starting material of the Marker degradation, a cheap semi-synthesis of progesterone, which has been designated as an Inter­national Historic Chemical Landmark. Thus far, a single X-ray structure for diosgenin is known, namely its dimethyl sulfoxide solvate [Zhang et al. (2005 ▶). Acta Cryst. E61, o2324–o2325]. We have now determined the structure of the hemihydrate, C27H42O3·0.5H2O. The asymmetric unit contains two diosgenin mol­ecules, with quite similar conformations, and one water mol­ecule. Hy­droxy groups in steroids and water mol­ecules form O—H⋯O hydrogen-bonded R 5 4(10) ring motifs. Fused edge-sharing R(10) rings form a backbone oriented along [100], which aggregates the diosgenin mol­ecules in the crystal structure. PMID:22904823

  20. Succinate esters: odd-even effects in melting points.

    PubMed

    Joseph, Sumy; Sathishkumar, Ranganathan

    2014-10-01

    Dialkyl succinates show a pattern of alternating behavior in their melting points, as the number of C atoms in the alkane side chain increases, unlike in the dialkyl oxalates [Joseph et al. (2011). Acta Cryst. B67, 525-534]. Dialkyl succinates with odd numbers of C atoms in the alkyl side chain show higher melting points than the immediately adjacent analogues with even numbers. The crystal structures and their molecular packing have been analyzed for a series of dialkyl succinates with 1-4 C atoms in the alkyl side chain. The energy difference (ΔE) between the optimized and observed molecular conformations, density, Kitaigorodskii packing index (KPI) and C-H...O interactions are considered to rationalize this behavior. In contrast to the dialkyl oxalates where a larger number of moderately strong C-H...O interactions were characteristic of oxalates with elevated melting points, here the molecular packing and the density play a major role in raising the melting point. On moving from oxalate to succinate esters the introduction of the C2 spacer adds two activated H atoms to the asymmetric unit, resulting in the formation of stronger C-H...O hydrogen bonds in all succinates. As a result the crystallinity of long-chain alkyl substituted esters improves enormously in the presence of hydrogen bonds from activated donors. PMID:25274517

  1. Phasing in the presence of severe site-specific radiation damage through dose-dependent modelling of heavy atoms.

    PubMed

    Schiltz, M; Dumas, P; Ennifar, E; Flensburg, C; Paciorek, W; Vonrhein, C; Bricogne, G

    2004-06-01

    The case of a brominated RNA crystal structure determination in which standard three-wavelength MAD phasing was unsuccessful because of fast X-ray-induced debromination was reinvestigated [Ennifar et al. (2002), Acta Cryst. D58, 1262-1268]. It was found that if the data are kept unmerged and if a dose-stamp is associated with each reflection measurement, dose-dependent occupancies can be refined for the Br atoms. Such a parametrization has been implemented in the macromolecular phasing program SHARP. Refining such dose-dependent occupancies on an unmerged data set gave a dramatic improvement, even for SAD phases from only the first wavelength (peak), and resulted in a good electron-density map after solvent flattening. The adverse effect of radiation damage has been turned into a beneficial one. The crucial difference is made by the use of unmerged data: phasing power is generated through the intensity differences of symmetry-related reflections recorded at different doses, i.e. corresponding to different states of the X-ray-induced debromination. This approach should prove useful in all situations of experimental phasing where site-specific radiation damage occurs unavoidably and undesirably and not only in cases in which radiation damage is purposely being created in order to demonstrate its potential usefulness. PMID:15159561

  2. Data processing pipeline for serial femtosecond crystallography at SACLA1

    PubMed Central

    Nakane, Takanori; Joti, Yasumasa; Tono, Kensuke; Yabashi, Makina; Nango, Eriko; Iwata, So; Ishitani, Ryuichiro; Nureki, Osamu

    2016-01-01

    A data processing pipeline for serial femtosecond crystallography at SACLA was developed, based on Cheetah [Barty et al. (2014). J. Appl. Cryst.47, 1118–1131] and CrystFEL [White et al. (2016). J. Appl. Cryst.49, 680–689]. The original programs were adapted for data acquisition through the SACLA API, thread and inter-node parallelization, and efficient image handling. The pipeline consists of two stages: The first, online stage can analyse all images in real time, with a latency of less than a few seconds, to provide feedback on hit rate and detector saturation. The second, offline stage converts hit images into HDF5 files and runs CrystFEL for indexing and integration. The size of the filtered compressed output is comparable to that of a synchrotron data set. The pipeline enables real-time feedback and rapid structure solution during beamtime. PMID:27275146

  3. Dynamic Modeling of ALS Systems

    NASA Technical Reports Server (NTRS)

    Jones, Harry

    2002-01-01

    The purpose of dynamic modeling and simulation of Advanced Life Support (ALS) systems is to help design them. Static steady state systems analysis provides basic information and is necessary to guide dynamic modeling, but static analysis is not sufficient to design and compare systems. ALS systems must respond to external input variations and internal off-nominal behavior. Buffer sizing, resupply scheduling, failure response, and control system design are aspects of dynamic system design. We develop two dynamic mass flow models and use them in simulations to evaluate systems issues, optimize designs, and make system design trades. One model is of nitrogen leakage in the space station, the other is of a waste processor failure in a regenerative life support system. Most systems analyses are concerned with optimizing the cost/benefit of a system at its nominal steady-state operating point. ALS analysis must go beyond the static steady state to include dynamic system design. All life support systems exhibit behavior that varies over time. ALS systems must respond to equipment operating cycles, repair schedules, and occasional off-nominal behavior or malfunctions. Biological components, such as bioreactors, composters, and food plant growth chambers, usually have operating cycles or other complex time behavior. Buffer sizes, material stocks, and resupply rates determine dynamic system behavior and directly affect system mass and cost. Dynamic simulation is needed to avoid the extremes of costly over-design of buffers and material reserves or system failure due to insufficient buffers and lack of stored material.

  4. Large rectification magnetoresistance in nonmagnetic Al/Ge/Al heterojunctions

    NASA Astrophysics Data System (ADS)

    Zhang, Kun; Li, Huan-Huan; Grünberg, Peter; Li, Qiang; Ye, Sheng-Tao; Tian, Yu-Feng; Yan, Shi-Shen; Lin, Zhao-Jun; Kang, Shi-Shou; Chen, Yan-Xue; Liu, Guo-Lei; Mei, Liang-Mo

    2015-09-01

    Magnetoresistance and rectification are two fundamental physical properties of heterojunctions and respectively have wide applications in spintronics devices. Being different from the well known various magnetoresistance effects, here we report a brand new large magnetoresistance that can be regarded as rectification magnetoresistance: the application of a pure small sinusoidal alternating-current to the nonmagnetic Al/Ge Schottky heterojunctions can generate a significant direct-current voltage, and this rectification voltage strongly varies with the external magnetic field. We find that the rectification magnetoresistance in Al/Ge Schottky heterojunctions is as large as 250% at room temperature, which is greatly enhanced as compared with the conventional magnetoresistance of 70%. The findings of rectification magnetoresistance open the way to the new nonmagnetic Ge-based spintronics devices of large rectification magnetoresistance at ambient temperature under the alternating-current due to the simultaneous implementation of the rectification and magnetoresistance in the same devices.

  5. AlSb/InAs/AlSb quantum wells

    NASA Technical Reports Server (NTRS)

    Kroemer, Herbert

    1990-01-01

    Researchers studied the InAs/AlSb system recently, obtaining 12nm wide quantum wells with room temperature mobilities up to 28,000 cm(exp 2)/V center dot S and low-temperature mobilities up to 325,000 cm(exp 2)/V center dot S, both at high electron sheet concentrations in the 10(exp 12)/cm(exp 2) range (corresponding to volume concentrations in the 10(exp 18)/cm(exp 2) range). These wells were not intentionally doped; the combination of high carrier concentrations and high mobilities suggest that the electrons are due to not-intentional modulation doping by an unknown donor in the AlSb barriers, presumably a stoichiometric defect, like an antisite donor. Inasmuch as not intentionally doped bulk AlSb is semi-insulating, the donor must be a deep one, being ionized only by draining into the even deeper InAs quantum well. The excellent transport properties are confirmed by other observations, like excellent quantum Hall effect data, and the successful use of the quantum wells as superconductive weak links between Nb electrodes, with unprecendentedly high critical current densities. The system is promising for future field effect transistors (FETs), but many processing problems must first be solved. Although the researchers have achieved FETs, the results so far have not been competitive with GaAs FETs.

  6. The effect of Si in Al-alloy on electromigration performance in Al filled vias

    NASA Astrophysics Data System (ADS)

    Kageyama, Makiko; Hashimoto, Keiichi; Onoda, Hiroshi

    1998-01-01

    Electromigration performance of vias filled with Al-Si-Cu alloys on Ti glue layers was investigated in comparison with W-stud vias. In Al-Si-Cu filled vias, voids were formed at only a few locations in the test structure, while voids were formed at every via in W-stud via chains. It is supposed that Al moves through the Al-Si-Cu via during electromigration in spite of the existence of a glue layer at the via bottom. This phenomenon was observed only in the vias filled with Al-Si-Cu alloy. Al movement was prohibited in Al-Cu filled vias. In Al-Si-Cu filled vias, an Al-Ti-Si alloy was formed at the via bottom while Al3Ti was formed at Al-Cu filled vias. Al is speculated to move through this Al-Ti-Si alloy during electromigration.

  7. Emerging mechanisms of molecular pathology in ALS

    PubMed Central

    Peters, Owen M.; Ghasemi, Mehdi; Brown, Robert H.

    2015-01-01

    Amyotrophic lateral sclerosis (ALS) is a devastating degenerative disease characterized by progressive loss of motor neurons in the motor cortex, brainstem, and spinal cord. Although defined as a motor disorder, ALS can arise concurrently with frontotemporal lobal dementia (FTLD). ALS begins focally but disseminates to cause paralysis and death. About 10% of ALS cases are caused by gene mutations, and more than 40 ALS-associated genes have been identified. While important questions about the biology of this disease remain unanswered, investigations of ALS genes have delineated pathogenic roles for (a) perturbations in protein stability and degradation, (b) altered homeostasis of critical RNA- and DNA-binding proteins, (c) impaired cytoskeleton function, and (d) non-neuronal cells as modifiers of the ALS phenotype. The rapidity of progress in ALS genetics and the subsequent acquisition of insights into the molecular biology of these genes provide grounds for optimism that meaningful therapies for ALS are attainable. PMID:25932674

  8. Ab initio modeling of zincblende AlN layer in Al-AlN-TiN multilayers

    DOE PAGESBeta

    Yadav, S. K.; Wang, J.; Liu, X. -Y.

    2016-06-14

    An unusual growth mechanism of metastable zincblende AlN thin film by diffusion of nitrogen atoms into Al lattice is established. Using first-principles density functional theory, we studied the possibility of thermodynamic stability of AlN as a zincblende phase due to epitaxial strains and interface effect, which fails to explain the formation of zincblende AlN. We then compared the formation energetics of rocksalt and zincblende AlN in fcc Al through direct diffusion of nitrogen atoms to Al octahedral and tetrahedral interstitials. Furthermore, the formation of a zincblende AlN thin film is determined to be a kinetically driven process, not a thermodynamicallymore » driven process.« less

  9. Synthesis of AlN/Al Polycrystals along with Al Nanoparticles Using Thermal Plasma Route

    SciTech Connect

    Kanhe, Nilesh S.; Nawale, A. B.; Kulkarni, N. V.; Bhoraskar, S. V.; Mathe, V. L.; Das, A. K.

    2011-07-15

    This paper for the first time reports the (200) oriented growth of hexagonal Aluminum nitride crystals during synthesis of aluminum nanoparticles in dc transferred arc thermal plasma reactor by gas phase condensation in nitrogen plasma. The structural and morphological study of as synthesized AlN crystal and aluminium nanoparticles was done by using the x-ray diffraction method, scanning electron microscopy and transmission electron microscopy.

  10. Synthesis of Al-Al2O3 and Al-Aln Nanoparticle Composites Via Electric Explosion of Wires

    NASA Astrophysics Data System (ADS)

    Lerner, M. I.; Lozhkomoev, A. S.; Pervikov, A. V.; Bakina, O. V.

    2016-07-01

    Composite Al-Al2O3 and Al-AlN nanoparticles were synthesized via electric explosion of aluminum wires in an argon-oxygen gas mixture and in nitrogen. The parameters of electric explosion and gas medium affect the size and relative content of nitride and aluminum oxide in the nanoparticles. Processes of forming chemical compounds during aluminum oxidation at the contact surface between explosive products and gas and of nitrogen diffusions into the nanoparticles of the condensed phase are considered.

  11. Investigation of Wear Anisotropy in a Severely Deformed Al-Al3Ti Composite

    NASA Astrophysics Data System (ADS)

    El-Hadad, Shimaa; Sato, Hisashi; Watanabe, Yoshimi

    2012-09-01

    In the current investigation, Al-Al3Ti composite was processed by equal channel angular pressing (ECAP). ECAP was carried out using routes A and BC up to eight passes of deformation. It was observed that increasing the number of ECAP passes causes fragmentation of Al3Ti platelet particles and decreases their sizes compared to their original sizes in the undeformed Al-Al3Ti specimens. Moreover, the microstructure of route A-ECAPed Al-Al3Ti composite samples showed a strong alignment of the fragmented Al3Ti particles parallel to the pressing axis. On the other hand, ECAPed Al-Al3Ti alloy specimens by route BC have a relatively homogeneous distribution of Al3Ti particles. Because of the platelet Al3Ti particle fragmentation by ECAP, all the ECAPed specimens showed small anisotropy in their wear property in spite of this observed anisotropic microstructure induced by route A-ECAP.

  12. Investigation of Wear Anisotropy in a Severely Deformed Al-Al3Ti Composite

    NASA Astrophysics Data System (ADS)

    El-Hadad, Shimaa; Sato, Hisashi; Watanabe, Yoshimi

    2012-05-01

    In the current investigation, Al-Al3Ti composite was processed by equal channel angular pressing (ECAP). ECAP was carried out using routes A and BC up to eight passes of deformation. It was observed that increasing the number of ECAP passes causes fragmentation of Al3Ti platelet particles and decreases their sizes compared to their original sizes in the undeformed Al-Al3Ti specimens. Moreover, the microstructure of route A-ECAPed Al-Al3Ti composite samples showed a strong alignment of the fragmented Al3Ti particles parallel to the pressing axis. On the other hand, ECAPed Al-Al3Ti alloy specimens by route BC have a relatively homogeneous distribution of Al3Ti particles. Because of the platelet Al3Ti particle fragmentation by ECAP, all the ECAPed specimens showed small anisotropy in their wear property in spite of this observed anisotropic microstructure induced by route A-ECAP.

  13. NiAl-base composite containing high volume fraction of AlN for advanced engines

    NASA Technical Reports Server (NTRS)

    Hebsur, Mohan (Inventor); Whittenbeger, John D. (Inventor); Lowell, Carl F. (Inventor)

    1994-01-01

    A particulate reinforced NiAl-AlN composite alloy has a NiAl matrix and greater than about 13 volume percent fine particles of AlN within the matrix. The particles preferably have a diameter from about 15 nanometers to about 50 nanometers. The particulate reinforced NiAl-AlN composite alloy may be prepared by cryomilling prealloyed NiAl in liquid nitrogen using grinding media having a diameter of from about 2 to 6 mm at an impeller speed of from about 450 RPM to about 800 RPM. The cryomilling may be done for a duration of from about 4 hours to about 20 hours to obtain a cryomilled powder. The cryomilled powder may be consolidated to form the particulate reinforced NiAl-AlN composite alloy. The particulate reinforced alloy can further include a toughening alloy. The toughening alloy may include NiCrAlY, FeCrAlY, and FeAl.

  14. 77 FR 73732 - In the Matter of Amendment of the Designation of al-Qa'ida in Iraq, aka Jam'at al Tawhid wa'al...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-11

    ... Matter of Amendment of the Designation of al-Qa'ida in Iraq, aka Jam'at al Tawhid wa'al-Jihad, aka The... al-Rafidayn, aka The Organization of al-Jihad's Base of Operations in Iraq, aka al-Qaida of Jihad in Iraq, aka al-Qaida in Iraq, aka al-Qaida in Mesopotamia, aka al-Qaida in the Land of the Two...

  15. New investigations on shock-wave synthesized high-pressure phases in the system Si-Al-O-N

    NASA Astrophysics Data System (ADS)

    Schlothauer, T.; Greif, A.; Keller, K.; Schwarz, M. R.; Kroke, E.; Heide, G.

    2012-12-01

    The shock-wave synthesis of nanostructured high-pressure phases at a gram-scale permits the analysis of spinel type nitrides with different chemical composition using methods not suitable for microgram amounts of material. Methods with a significant mass loss through the analytical process like TG-MS or FT-IR or bulk methods at the g-scale like 29Si-MAS-NMR or neutron diffraction were used. The synthesis of pure high-pressure modifications (gamma-phases) of different SiAlON-compounds using amorphous H-bearing precursors at pressures of 30-40 GPa is a necessary prerequisite for precise determinations of crystal chemical features. Etching with HF is a well-known method to purify the high-pressure nitrides (Sekine 2002). The etched parts were analyzed by neutron diffraction, TG-MS, and carrier gas hot extraction (CGHE). Volatile elements like H2 and Cl2, as well as non-stoichiometric oxygen and nitrogen, and NOx, H2O are enriched in the disordered rims. This degassing process ends at temperatures of approximately 600°C, while the spinel structure remains well preserved up to 1300°C. Under these conditions the gamma-phases stay unchanged under air, argon and vacuum. Furthermore chlorine, an important impurity of the H-bearing precursors neither influences the synthesized products nor the synthesis process itself. IR-spectroscopy of gamma-Si3(O,N)4 shows that peak shifts of octahedral lattice vibrations (≈ 680 cm-1) and both tetrahedral vibrations (ny3 and ny4) (Jeanloz 1980, Preudhomme & Tarte 1971) to higher frequencies with decreasing oxygen content occur. This effect is also visible in samples contaminated with impurities of low pressure modifications. The more complex structure of gamma-SiAlON and the simultaneously exchange of the cation- and the anion-positions prevents the appearance of this important feature. Yet to be synthesized pure gamma-SiAlON using similar H-bearing precursors is necessary to resolve its structure. Sekine, T., H. He, T. Kobayashi, K

  16. The Al-Al3Ni Eutectic Reaction: Crystallography and Mechanism of Formation

    NASA Astrophysics Data System (ADS)

    Fan, Yangyang; Makhlouf, Makhlouf M.

    2015-09-01

    The characteristics of the Al-Al3Ni eutectic structure are examined with emphasis on its morphology and crystallography. Based on these examinations, the mechanism of formation of this technologically important eutectic is postulated. It is found that a thin shell of α-Al forms coherently around each Al3Ni fiber. The excellent thermal stability of the Al-Al3Ni eutectic may be attributed to the presence of this coherent layer.

  17. Reply to Pachai et al.

    PubMed

    Harrison, William J; Bex, Peter J

    2016-05-01

    Peripheral vision is fundamentally limited by the spacing between objects. When asked to report a target's identity, observers make erroneous reports that sometimes match the identity of a nearby distractor and sometimes match a combination of target and distractor features. The classification of these errors has previously been used to support competing 'substitution' [1] or 'averaging' [2] models of the phenomenon known as 'visual crowding'. We recently proposed a single model in which both classes of error occur because observers make their reports by sampling from a biologically-plausible population of weighted responses within a region of space around the target [3]. It is critical to note that there is no probabilistic substitution or averaging process in our model; instead, we argue that neither substitution nor averaging occur, but that these are misclassifications of the distribution of reports that emerge when a population response distribution is sampled. This is a fundamentally different way of thinking about crowding, and on this basis we claim to have provided a mechanism unifying categorically distinct perceptual errors. Our goal was not to model all crowding phenomena, such as the release from crowding when target and flanks differ in color or depth [4]. Pachai et al.[5] have suggested that our model is not unifying because it inaccurately predicts perceptual performance for a particular stimulus. Although we agree that our model does not predict their data, this specific demonstration overlooks the critical aspect of the model: perceptual reports are drawn from a weighted population code. We show that Pachai et al.'s [5] own data actually provide evidence for the population code we have described [3], and we suggest a biologically-plausible analysis of their stimuli that provides a computational basis for their 'grouping' account of crowding. PMID:27166690

  18. Effects of the Al content on pore structures of porous TieAl alloys

    SciTech Connect

    Jaing, Y; He, Y H; Xu, N P; Zou, J; Huang, B; Lui, C T

    2008-01-01

    Porous TieAl alloys with different nominal compositions were fabricated through a reactive synthesis of Ti and Al elemental powders. It has been found that the pore parameters vary with the Al contents, indicating that the nature of the pores can be manipulated through changing the Al contents. In addition, detailed structural characterizations showed that the fabricated porous TieAl alloys can have three crystalline phases (i.e., a2-Ti3Al, g-TiAl, and TiAl3) when using different compositions. The fundamental reasons behind these phenomena have been explored.

  19. Everyday Life with ALS: A Practical Guide

    MedlinePlus

    ... course of ALS. ALS also will require some adaptations to your environment, both for safety and to ... the way, Chapter 6 will include information on adaptations for computer access. Though the chapter is called “ ...

  20. Benefits for Military Veterans with ALS

    MedlinePlus

    ... Chapters Certified Centers and Clinics Support Groups About ALS About Us Our Research In Your Community Advocate ... Veterans Resources for Military Veterans, Families & Survivors The ALS Association is working everyday to support people with ...

  1. Aluminium distribution in ZSM-5 revisited: The role of Al-Al interactions

    SciTech Connect

    Ruiz-Salvador, A. Rabdel; Grau-Crespo, Ricardo; Gray, Aileen E.; Lewis, Dewi W.

    2013-02-15

    We present a theoretical study of the distribution of Al atoms in zeolite ZSM-5 with Si/Al=47, where we focus on the role of Al-Al interactions rather than on the energetics of Al/Si substitutions at individual sites. Using interatomic potential methods, we evaluate the energies of the full set of symmetrically independent configurations of Al siting in a Si{sub 94}Al{sub 2}O{sub 192} cell. The equilibrium Al distribution is determined by the interplay of two factors: the energetics of the Al/Si substitution at an individual site, which tends to populate particular T sites (e.g., the T14 site), and the Al-Al interaction, which at this Si/Al maximises Al-Al distances in general agreement with Dempsey's rule. However, it is found that the interaction energy changes approximately as the inverse of the square of the distance between the two Al atoms, rather than the inverse of the distance expected if this were merely charge repulsion. Moreover, we find that the anisotropic nature of the framework density plays an important role in determining the magnitude of the interactions, which are not simply dependent on Al-Al distances. - Graphical abstract: Role of Al-Al interactions in high silica ZSM-5 is shown to be anisotropic in nature and not dependent solely on Coulombic interactions. Highlights: Black-Right-Pointing-Pointer Si-Al distribution in ZSM-5 is revisited, stressing the role of the Al-Al interaction. Black-Right-Pointing-Pointer Coulomb interactions are not the key factors controlling the Al siting. Black-Right-Pointing-Pointer Anisotropy of the framework is identified as a source of departure from Dempsey's rule.

  2. Photoelectrical, photophysical and photocatalytic properties of Al based MOFs: MIL-53(Al) and MIL-53-NH2(Al)

    NASA Astrophysics Data System (ADS)

    An, Yang; Li, Huiliang; Liu, Yuanyuan; Huang, Baibiao; Sun, Qilong; Dai, Ying; Qin, Xiaoyan; Zhang, Xiaoyang

    2016-01-01

    Two Al based MOFs (MIL-53(Al) and MIL-53-NH2 (Al)) were synthesized, and their photoelectrical, photophysical and photocatalytic properties towards oxygen evolution from water were investigated. Different from the ligand to metal charge transfer process previously reported, we proposes a new photocatalytic mechanism based on electron tunneling according to the results of theoretical calculation, steady state and time resolved fluorescence spectra. The organic linkers absorb photons, giving rise to electrons and holes. Then, the photogenerated electrons tunnel through the AlO6-octahedra, which not only inhibit the recombination of photogenerated charge carriers, but also is a key factor to the photocatalytic activity of Al based MOFs.

  3. Nonstoichiometry of Al-Zr intermetallic phases

    SciTech Connect

    Radmilovic, V.; Thomas, G.

    1994-06-01

    Nonstoichiometry of metastable cubic {beta}{prime} and equilibrium tetragonal {beta} Al-Zr intermetallic phases of the nominal composition Al{sub 3}Zr in Al-rich alloys has been extensively studied. It is proposed that the ``dark contrast`` of {beta}{prime} core in {beta}{prime}/{sigma}{prime} complex precipitates, in Al-Li-Zr based alloys, is caused by incorporation of Al and Li atoms into the {beta}{prime} phase on Zr sublattice sites, forming nonstoichiometric Al-Zr intermetallic phases, rather than by Li partitioning only. {beta}{prime} particles contain very small amounts of Zr, approximately 5 at.%, much less than the stoichiometric 25 at.% in the Al{sub 3}Zr metastable phase. These particles are, according to simulation of high resolution images, of the Al{sub 3}(Al{sub 0.4}Li{sub 0.4}Zr{sub 0.2}) type. Nonstoichiometric particles of average composition Al{sub 4}Zr and Al{sub 6}Zr are observed also in the binary Al-Zr alloy, even after annealing for several hours at 600{degree}C.

  4. Cyclic oxidation resistance of a reaction milled NiAl-AlN composite

    NASA Technical Reports Server (NTRS)

    Lowell, Carl E.; Barrett, Charles A.; Whittenberger, J. D.

    1990-01-01

    Based upon recent mechanical property tests a NiAl-AlN composite produced by cryomilling has very attractive high temperature strength. This paper focuses on the oxidation resistance of the NiAl-AlN composite at 1473 and 1573 K as compared to that of Ni-47Al-0.15Zr, one of the most oxidation resistant intermetallics. The results of cyclic oxidation tests show that the NiAl-AlN composite has excellent properties although not quite as good as those of Ni-47Al-0.15Zr. The onset of failure of the NiAl-AlN was unique in that it was not accompanied by a change in scale composition from alumina to less protective oxides. Failure in the composite appears to be related to the entrapment of AlN particles within the alumina scale.

  5. Cenomanian-Turonian biostratigraphy of the Jardas Al Abid area, Al Jabal Al Akhdar, northeast Libya

    NASA Astrophysics Data System (ADS)

    El Qot, Gamal M.; Abdulsamad, Esam O.

    2016-09-01

    The Upper Cenomanian-Turonian succession exposed at Jardas al'Abid area consists mainly of carbonates with siliciclastic intercalations. This succession is subdivided lithostratigraphically into: Qasr al'Abid (Late Cenomanian) and Al Baniyah (Late Cenomanian-Coniacian) formations. This sequence is relatively rich in macrofossil assemblages especially bivalves, gastropods, and echinoids with rare ammonites. Based on the first occurrence (FO) and last occurrence (LO) of some index species of these macrofossil groups, an integrated biostratigraphic framework has been constructed. The studied Cenomanian-Turonian sequence is subdivided biostratigraphically into three ammonite biozones; Pseudaspidoceras pseudonodosoides Total Range Zone, Choffaticeras segne Total Range Zone, and Coilopoceras requienianum Total Range Zone. Based on the rest of macrofossil assemblages other than the ammonites, eight biozones were recognized; Mecaster batnensis Total Range Zone, Ceratostreon flabellatum-Neithea dutrugei Acme Zone, Costagyra olisiponensis Acme Zone, Pycnodonte (Phygraea) vesicularis vesiculosa Acme Zone, Mytiloides labiatus Total Range Zone = Mecaster turonensis Acme Zone, Rachiosoma rectilineatum-Curvostrea rouvillei-Tylostoma (T.) globosum Assemblage Zone, Radiolites sp.-Apricardia? matheroni Total Range Zone, and Nerinea requieniana Total Range Zone. Most of the proposed biozones are recorded for the first time from Libya. The integration among these biozones as well as local and inter-regional correlation of the biozones have been discussed. The stage boundaries of the studied stratigraphic intervals are discussed, where the Cenomanian/Turonian boundary is delineated at the last occurrence (LO) of Pseudaspidoceras pseudonodosoides (Choffat), while the Turonian/Coniacian boundary is delineated arbitrary being agree with the LO of the Turonian fauna.

  6. Systems Engineering Techniques for ALS Decision Making

    NASA Technical Reports Server (NTRS)

    Rodriquez, Luis F.; Drysdale, Alan E.; Jones, Harry; Levri, Julie A.

    2004-01-01

    The Advanced Life Support (ALS) Metric is the predominant tool for predicting the cost of ALS systems. Metric goals for the ALS Program are daunting, requiring a threefold increase in the ALS Metric by 2010. Confounding the problem, the rate new ALS technologies reach the maturity required for consideration in the ALS Metric and the rate at which new configurations are developed is slow, limiting the search space and potentially giving the perspective of a ALS technology, the ALS Metric may remain elusive. This paper is a sequel to a paper published in the proceedings of the 2003 ICES conference entitled, "Managing to the metric: an approach to optimizing life support costs." The conclusions of that paper state that the largest contributors to the ALS Metric should be targeted by ALS researchers and management for maximum metric reductions. Certainly, these areas potentially offer large potential benefits to future ALS missions; however, the ALS Metric is not the only decision-making tool available to the community. To facilitate decision-making within the ALS community a combination of metrics should be utilized, such as the Equivalent System Mass (ESM)-based ALS metric, but also those available through techniques such as life cycle costing and faithful consideration of the sensitivity of the assumed models and data. Often a lack of data is cited as the reason why these techniques are not considered for utilization. An existing database development effort within the ALS community, known as OPIS, may provide the opportunity to collect the necessary information to enable the proposed systems analyses. A review of these additional analysis techniques is provided, focusing on the data necessary to enable these. The discussion is concluded by proposing how the data may be utilized by analysts in the future.

  7. Opportunity's 'Rub al Khali' Panorama

    NASA Technical Reports Server (NTRS)

    2005-01-01

    [figure removed for brevity, see original site] Click on the image for Opportunity's 'Rub al Khali' Panorama (QTVR)

    This panoramic image, dubbed 'Rub al Khali,' was acquired by NASA's Mars Exploration Rover Opportunity on the plains of Meridiani during the period from the rover's 456th to 464th sols on Mars (May 6 to May 14, 2005). Opportunity was about 2 kilometers (1.2 miles) south of 'Endurance Crater' at a place known informally as 'Purgatory Dune.'

    The rover was stuck in the dune's deep fine sand for more than a month. 'Rub al Khali' (Arabic translation: 'the empty quarter') was chosen as the name for this panorama because it is the name of a similarly barren, desolate part of the Saudi Arabian desert on Earth.

    The view spans 360 degrees. It consists of images obtained in 97 individual pointings of the panoramic camera. The camera took images with five camera filters at each pointing. This 22,780-by-6,000-pixel mosaic is an approximately true-color rendering generated using the images acquired through filters admitting light wavelengths of 750, 530, and 480 nanometers.

    Lighting varied during the nine sols it took to acquire this panorama, resulting in some small image seams within the mosaic. These seams have been smoothed in sky parts of the mosaic to better simulate the vista that a person would see if able to view it all at the same time on Mars.

    Opportunity's tracks leading back to the north (center of the panorama) are a reminder of the rover's long trek from Endurance Crater. The deep ruts dug by Opportunity's wheels as it became stuck in the sand appear in the foreground. The crest and trough of the last ripple the rover crossed before getting stuck is visible in the center. These wind-formed sand features are only about 10 to 15 centimeters (4 to 6 inches) tall. The crest of the actual ripple where the rover got stuck can be seen just to the right of center. The tracks and a few other places on and near ripple crests can

  8. Immunomodulatory drugs in AL amyloidosis.

    PubMed

    Jelinek, T; Kufova, Z; Hajek, R

    2016-03-01

    Immunoglobulin light chain amyloidosis (AL amyloidosis) is indeed a rare plasma cell disorder, yet the most common of the systemic amyloidoses. The choice of adequate treatment modality is complicated and depends dominantly on the risk stratification of these fragile patients. Immunomodulatory drugs (IMiDs) are currently used in newly diagnosed patients as well as in salvage therapy in relapsed/refractory patients. IMiDs have a pleiotropic effect on malignant cells and the exact mechanism of their action has been described recently. Thalidomide is the most ancient representative, effective but toxic. Lenalidomide seems to be more effective, nevertheless the toxicity remains high, especially in patients with renal insufficiency. Pomalidomide is the newest IMiD used in this indication with a good balance between efficacy and tolerable toxicity and represents the most promising compound. This review is focused on the evaluation of all three representatives of IMiDs and their roles in the treatment of this malignant disorder. PMID:26806146

  9. Instandhaltungsmanagement als Gestaltungsfeld Ganzheitlicher Produktionssysteme

    NASA Astrophysics Data System (ADS)

    Dombrowski, Uwe; Schulze, Sven; Otano, Isabel Crespo

    Sich kontinuierlich verändernde Rahmenbedingungen, wie beispielsweise eine steigende Variantenvielfalt, verkürzte Produktlebenszyklen sowie Kundenforderungen nach höherer Qualität, kürzeren Lieferzeiten und geringeren Kosten, fordern von produzierenden Unternehmen eine stetige Anpassung der Prozesse, der Organisation und der Strukturen. Seit den 90er Jahren versuchen immer mehr deutsche Unternehmen diesen veränderten Anforderungen mit der Einführung eines Ganzheitlichen Produktionssystems (GPS) zu begegnen. Ganzheitliche Produktionssysteme sind dabei in ihren Grundlagen an das Toyota Produktionssystem angelehnt, vereinigen aber auch weitere Methoden zu einem unternehmensspezifischen Regelwerk. Im Rahmen des langfristigen Trends zu unternehmensindividuellen Produktionssystemen wird sowohl in der Industrie als auch in der Forschung intensiv über das Toyota Produktionssystem, Lean Production, Lean Management und Ganzheitliche Produktionssysteme diskutiert, werden Konzepte zu Implementierung und Betrieb erstellt und die Wirtschaftlichkeit untersucht.

  10. Magnetism of Al-substituted magnetite reduced from Al-hematite

    NASA Astrophysics Data System (ADS)

    Jiang, Zhaoxia; Liu, Qingsong; Zhao, Xiang; Roberts, Andrew P.; Heslop, David; Barrón, Vidal; Torrent, José

    2016-06-01

    Aluminum-substituted magnetite (Al-magnetite) reduced from Al-substituted hematite or goethite (Al-hematite or Al-goethite) is an environmentally important constituent of magnetically enhanced soils. In order to characterize the magnetic properties of Al-magnetite, two series of Al-magnetite samples were synthesized through reduction of Al-hematite by a mixed gas (80% CO2 and 20% CO) at 395°C for 72 h in a quartz tube furnace. Al-magnetite samples inherited the morphology of their parent Al-hematite samples, but only those transformed from Al-hematite synthesized at low temperature possessed surficial micropores, which originated from the release of structural water during heating. Surface micropores could thus serve as a practical fingerprint of fire or other high-temperature mineralogical alteration processes in natural environments, e.g., shear friction in seismic zones. In addition, Al substitution greatly affects the magnetic properties of Al-magnetite. For example, coercivity (Bc) increases with increasing Al content and then decreases slightly, while the saturation magnetization (Ms), Curie temperature (Tc), and Verwey transition temperature (Tv) all decrease with increasing Al content due to crystal defect formation and dilution of magnetic ions caused by Al incorporation. Moreover, different trends in the correlation between Tc and Bc can be used to discriminate titanomagnetite from Al-magnetite, which is likely to be important in environmental and paleomagnetic studies, particularly in soil.

  11. Reactive Plasma Spraying of Fine Al2O3/AlN Feedstock Powder

    NASA Astrophysics Data System (ADS)

    Shahien, Mohammed; Yamada, Motohiro; Yasui, Toshiaki; Fukumoto, Masahiro

    2013-12-01

    Reactive plasma spraying (RPS) is a promising technology for in situ formation of aluminum nitride (AlN) coatings. Recently, AlN-based coatings were fabricated by RPS of alumina (Al2O3) powder in N2/H2 thermal plasma. This study investigated the feasibility of RPS of a fine Al2O3/AlN mixture and the influence of the plasma gases (N2, H2) on the nitriding conversion, and coating microstructure and properties. Thick AlN/Al2O3 coatings with high nitride content were successfully fabricated. The coatings consist of h-AlN, c-AlN, Al5O6N, γ-Al2O3, and a small amount of α-Al2O3. Use of fine particles enhanced the nitriding conversion and the melting tendency by increasing the surface area. Furthermore, the AlN additive improved the AlN content in the coatings. Increasing the N2 gas flow rate improved the nitride content and complete crystal growth to the h-AlN phase, and enhanced the coating thickness. On the other hand, though the H2 gas is required for plasma nitriding of the Al2O3 particles, increasing its flow rate decreased the nitride content and the coating thickness. Remarkable influence of the plasma gases on the coating composition, microstructure, and properties was observed during RPS of the fine particles.

  12. Al/Al-N/AlN compositional gradient film synthesized by ion-beam assisted deposition method

    SciTech Connect

    Amamoto, Yoshiki; Uchiyama, Shingo; Watanabe, Yoshihisa; Nakamura, Yoshikazu

    1997-12-01

    Al/Al-N-AlN compositional gradient thin film was deposited on a Si(100) substrate at room temperature by ion-beam assisted deposition method, with a diminishing ion beam current from 1.4 to 0 mA at increments of 0.3 mA in order to gradually decrease the nitrogen to aluminum ratio at the substrate. The gradual Al and AlN variation in composition was shown by the change of the Al/N atomic ratio analyzed by the energy dispersive X-ray spectroscopy (EDX) and the X-ray photoelectron spectroscopy (XPS) in the cross section of the film. The formation of crystalline Al metal and AlN ceramic layer on the Si substrate was revealed by X-ray diffraction (XRD). The cross sectional image taken by high resolution transmission electron microscope (HRTEM) showed a nano-sized crystalline Al-N ceramic material and the flat interface between the Si substrate and the AlN film.

  13. Accumulation of Al in Root Mucilage of an Al-Resistant and an Al-Sensitive Cultivar of Wheat.

    PubMed Central

    Archambault, D. J.; Zhang, G.; Taylor, G. J.

    1996-01-01

    To estimate rates of Al accumulation within the symplasm, all apoplastic pools of Al need to be eliminated or accounted for. We have developed a revised kinetic protocol that allows us to estimate the contribution of mucilage-bound Al to total, nonexchangeable Al, and to eliminate the mucilage as an apoplastic pool of Al. By comparing the Al content of excised root tips (2 cm) of wheat (Triticum aestivum L.) with and without the removal of the mucilage (using a 10-min wash in 1 M NH4Cl), we found that Al bound to the mucilage accounted for approximately 25 to 35% of Al remaining after desorption in citric acid. The kinetics of Al uptake into mucilage were biphasic, with a rapid phase occurring in the first 30 min of uptake, followed by a linear phase occurring in the remainder of the experimental period (180 min). By adopting a step for removal of mucilage into our existing kinetic protocol, we have been able to isolate a linear phase of uptake with only a slight deviation from linearity in the first 5 min. Although we cannot unambiguously identify this phase of uptake as uptake into the symplasm, we believe this new protocol provides us with the most accurate quantitative estimate of symplastic Al yet available. PMID:12226458

  14. Fabrication of Nb/AlO x/Al/AlO x/Nb junctions for voltage standard applications

    NASA Astrophysics Data System (ADS)

    Maezawa, M.; Urano, C.; Kaneko, N.; Kiryu, S.

    2007-10-01

    We present an overdamped superconductor-insulator-normal-insulator-superconductor (SINIS) junction technology for ac voltage standard applications. Modifying our standard Nb-junction process, we developed a simple process for Nb/AlOx/Al/AlOx/Nb-junction circuits. A Josephson arbitrary waveform synthesizer device which consisted of a 100-SINIS-junction array embedded in a 50 Ω coplanar waveguide was fabricated and successfully tested.

  15. Growth and stress-induced transformation of zinc blende AlN layers in Al-AlN-TiN multilayers

    SciTech Connect

    Li, Nan; Yadav, Satyesh K.; Wang, Jian; Liu, Xiang -Yang; Misra, Amit

    2015-12-18

    We report that AlN nanolayers in sputter deposited {111}Al/AlN/TiN multilayers exhibit the metastable zinc-blende-structure (z-AlN). Based on density function theory calculations, the growth of the z-AlN is ascribed to the kinetically and energetically favored nitridation of the deposited aluminium layer. In situ nanoindentation of the as-deposited {111}Al/AlN/TiN multilayers in a high-resolution transmission electron microscope revealed the z-AlN to wurzite AlN phase transformation through collective glide of Shockley partial dislocations on every two {111} planes of the z-AlN.

  16. Growth and Stress-induced Transformation of Zinc blende AlN Layers in Al-AlN-TiN Multilayers

    PubMed Central

    Li, Nan; Yadav, Satyesh K.; Wang, Jian; Liu, Xiang-Yang; Misra, Amit

    2015-01-01

    AlN nanolayers in sputter deposited {111}Al/AlN/TiN multilayers exhibit the metastable zinc-blende-structure (z-AlN). Based on density function theory calculations, the growth of the z-AlN is ascribed to the kinetically and energetically favored nitridation of the deposited aluminium layer. In situ nanoindentation of the as-deposited {111}Al/AlN/TiN multilayers in a high-resolution transmission electron microscope revealed the z-AlN to wurzite AlN phase transformation through collective glide of Shockley partial dislocations on every two {111} planes of the z-AlN. PMID:26681109

  17. Growth and Stress-induced Transformation of Zinc blende AlN Layers in Al-AlN-TiN Multilayers.

    PubMed

    Li, Nan; Yadav, Satyesh K; Wang, Jian; Liu, Xiang-Yang; Misra, Amit

    2015-01-01

    AlN nanolayers in sputter deposited {111}Al/AlN/TiN multilayers exhibit the metastable zinc-blende-structure (z-AlN). Based on density function theory calculations, the growth of the z-AlN is ascribed to the kinetically and energetically favored nitridation of the deposited aluminium layer. In situ nanoindentation of the as-deposited {111}Al/AlN/TiN multilayers in a high-resolution transmission electron microscope revealed the z-AlN to wurzite AlN phase transformation through collective glide of Shockley partial dislocations on every two {111} planes of the z-AlN. PMID:26681109

  18. Reply to Vance et al.

    SciTech Connect

    Woon-Chee Yee; Elliott, J.L; Kwon, J.M.; Goodfellow, P.

    1996-07-01

    In our report of a family with a motor and sensory polyneuropathy that was linked to chromosome 3q, we classified this neuropathy as a form of hereditary motor and sensory neuropathy II (HMSN II, also known as {open_quotes}CMT2{close_quotes}). Doubts have been raised by Vance et al. as to whether this neuropathy should be classified as hereditary sensory autonomic neuropathy I (HSAN I) instead of HMSN II. While it is reasonable to raise such doubts, we believe that the neuropathy is best designated as HMSN II for the reasons described below. The group of disorders described as HSAN are characterized by primary or predominant involvement of sensory and autonomic neurons that fail to develop or that undergo atrophy and degeneration. These disorders were extensively reviewed by Dyck and Ohta, who initially described them as the hereditary sensory neuropathies (HSN). It was Dyck who subsequently suggested that these disorders be designated HSAN rather than HSN, because of the presence of autonomic involvement. 8 refs.

  19. Effects of Al Contents on Carburization Behavior and Corrosion Resistance of TiAl Alloys

    NASA Astrophysics Data System (ADS)

    Liao, Cui Jiao; He, Yue Hui; Ming, Xing Zu

    2015-10-01

    TiAl alloys with Al contents of 30.7, 37, 46.5, and 54.2 at.% were carburized. Corrosion resistance of the untreated and the carburized TiAl alloys was comparatively analyzed. The phase and microstructure of the carburized TiAl alloys were studied by x-ray diffraction and scanning electron microscopy, respectively. Electrochemical corrosion behavior of the untreated and the carburized TiAl alloys was investigated using potentiodynamic polarization and electrochemical impedance spectroscopy. Experimental results indicate that different Al contents bring about distinct microstructure of the carburized layers. The lower Al content leads to the formation of the thicker binary carbides and the thinner Ti2AlC phase. Additionally, the lower Al content leads to higher corrosion resistance in the untreated and the carburized states.

  20. Tensile Behavior of Al2o3/feal + B and Al2o3/fecraly Composites

    NASA Technical Reports Server (NTRS)

    Draper, S. L.; Eldridge, J. I.; Aiken, B. J. M.

    1995-01-01

    The feasibility of Al2O3/FeAl + B and Al2O3/FeCrAlY composites for high-temperature applications was assessed. The major emphasis was on tensile behavior of both the monolithics and composites from 298 to 1100 K. However, the study also included determining the chemical compatibility of the composites, measuring the interfacial shear strengths, and investigating the effect of processing on the strength of the single-crystal Al2O3 fibers. The interfacial shear strengths were low for Al203/FeAl + B and moderate to high for Al203/FeCrAlY. The difference in interfacial bond strengths between the two systems affected the tensile behavior of the composites. The strength of the Al203 fiber was significantly degraded after composite processing for both composite systems and resulted in poor composite tensile properties. The ultimate tensile strength (UTS) values of the composites could generally be predicted with either rule of mixtures (ROM) calculations or existing models when using the strength of the etched-out fiber. The Al2O3/FeAl + B composite system was determined to be unfeasible due to poor interfacial shear strengths and a large mismatch in coefficient of thermal expansion (CTE). Development of the Al2O3/FeCrAlY system would require an effective diffusion barrier to minimize the fiber strength degradation during processing and elevated temperature service.

  1. A New Phase in ALS Research.

    PubMed

    Chong, P Andrew; Forman-Kay, Julie D

    2016-09-01

    In this issue of Structure, Conicella et al. (2016) present evidence that the low complexity C-terminal region of TDP-43 undergoes liquid-liquid phase separation. ALS-associated mutations alter this phase separation process, providing a possible mechanism for the pathology caused by these TDP-43 mutations. The work is strongly supportive of toxic loss of RNA processing function in ALS. PMID:27602988

  2. Crystal structures of spinel-type Na2MoO4 and Na2WO4 revisited using neutron powder diffraction.

    PubMed

    Fortes, A Dominic

    2015-06-01

    Time-of-flight neutron powder diffraction data have been collected from Na2MoO4 and Na2WO4 to a resolution of sin (θ)/λ = 1.25 Å(-1), which is substanti-ally better than the previous analyses using Mo Kα X-rays, providing roughly triple the number of measured reflections with respect to the previous studies [Okada et al. (1974 ▶). Acta Cryst. B30, 1872-1873; Bramnik & Ehrenberg (2004 ▶). Z. Anorg. Allg. Chem. 630, 1336-1341]. The unit-cell parameters are in excellent agreement with literature data [Swanson et al. (1962 ▶). NBS Monograph No. 25, sect. 1, pp. 46-47] and the structural parameters for the molybdate agree very well with those of Bramnik & Ehrenberg (2004 ▶). However, the tungstate structure refinement of Okada et al. (1974 ▶) stands apart as being conspicuously inaccurate, giving significantly longer W-O distances, 1.819 (8) Å, and shorter Na-O distances, 2.378 (8) Å, than are reported here or in other simple tungstates. As such, this work represents an order-of-magnitude improvement in precision for sodium molybdate and an equally substantial improvement in both accuracy and precision for sodium tungstate. Both compounds adopt the spinel structure type. The Na(+) ions have site symmetry .-3m and are in octa-hedral coordination while the transition metal atoms have site symmetry -43m and are in tetra-hedral coordination. PMID:26090129

  3. Ir-Spectroscopy of Glycine and its Complexes with Water in Helium Nanodroplets

    NASA Astrophysics Data System (ADS)

    Letzner, M.; Grün, S. A.; Schwaab, G.; Havenith, M.

    2011-06-01

    Glycine is the smallest amino acid, and therefore it is of special interest as a model and starting point for theoretical and experimental studies. Whereas the crystalline form of glycine consists of zwitterions NH_3+-CH_2-COO-, gas phase glycine is known to exist in the nonionized form NH_2-CH_2-COOH. The interaction between glycine and water has been widely studied using a large variety of theoretical methods. Depending on the theoretical level used, a stabilisation of the zwitterionic form is predicted for complexes containing from 2 to 7 water molecules. In low-temperature Ar matrices a set of characteristic IR absorption bands for the zwitterionic form has been observed. The higher stoichiometry complexes (glycine)\\cdots(H_2O)_n with n larger than 3 are demonstrated to be zwitterionic H-bonded complexes. The multitude of conformations expected for these glycine-water complexes makes a combination of low temperature and high resolution spectroscopy essential. We want to use the advantages of our experiment to investigate glycine and its complexes with water in helium-nanodroplets at ultracold temperatures in the range from 3000-3800 Cm-1. Our measurements were carried out using a high power IR-OPO (cw: 2.7 W) as radiation source and a helium nanodroplet spectrometer. Helium-nanodroplets are formed by expansion of helium at 55 bar through a 5 μm nozzle which is kept at a temperature of 16 K. The status of the project is presented. P.-G. Jönsson et al., Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 28, 1827 (1972) G. Junk et al., J. Am. Chem. Soc. 85, 839 (1963) R. Ramaekers et al., J. Chem. Phys., 120 (2004)

  4. Crystal structures of spinel-type Na2MoO4 and Na2WO4 revisited using neutron powder diffraction

    PubMed Central

    Fortes, A. Dominic

    2015-01-01

    Time-of-flight neutron powder diffraction data have been collected from Na2MoO4 and Na2WO4 to a resolution of sin (θ)/λ = 1.25 Å−1, which is substanti­ally better than the previous analyses using Mo Kα X-rays, providing roughly triple the number of measured reflections with respect to the previous studies [Okada et al. (1974 ▸). Acta Cryst. B30, 1872–1873; Bramnik & Ehrenberg (2004 ▸). Z. Anorg. Allg. Chem. 630, 1336–1341]. The unit-cell parameters are in excellent agreement with literature data [Swanson et al. (1962 ▸). NBS Monograph No. 25, sect. 1, pp. 46–47] and the structural parameters for the molybdate agree very well with those of Bramnik & Ehrenberg (2004 ▸). However, the tungstate structure refinement of Okada et al. (1974 ▸) stands apart as being conspicuously inaccurate, giving significantly longer W—O distances, 1.819 (8) Å, and shorter Na—O distances, 2.378 (8) Å, than are reported here or in other simple tungstates. As such, this work represents an order-of-magnitude improvement in precision for sodium molybdate and an equally substantial improvement in both accuracy and precision for sodium tungstate. Both compounds adopt the spinel structure type. The Na+ ions have site symmetry .-3m and are in octa­hedral coordination while the transition metal atoms have site symmetry -43m and are in tetra­hedral coordination. PMID:26090129

  5. Memory deficits and retrieval processes in ALS.

    PubMed

    Mantovan, M C; Baggio, L; Dalla Barba, G; Smith, P; Pegoraro, E; Soraru', G; Bonometto, P; Angelini, C

    2003-05-01

    Subtle neuropsychological deficits have been described in patients affected by amyotrophic lateral sclerosis (ALS) without dementia. Overall, selective impairment in memory function has been reported, but the source of memory impairment in ALS has yet to be defined. We performed neuropsychological screening in 20 ALS patients. Semantic encoding and post-encoding cue effects on the retrieval of word lists were investigated in the ALS patients and normal controls. Severity of memory impairment was correlated to cerebral blood perfusion detected by single photon emission computed tomography (SPECT). ALS patients showed moderate impairments in frontal and memory tests. Short-term memory was normal, while serial position retrieval of word lists with normal recency effect but poor primacy effect showed long-term memory deficit. ALS patients performed better in cued encoding than in cued post-encoding recall condition. In the cued post-encoding condition, the primacy effect in word list recall improved significantly in controls, but not in ALS patients, as compared with both the free recall and cued encoding conditions. SPECT hypoperfusion was observed in frontal and temporal areas in ALS patients. ALS patients showed a long-term memory deficit which did not improve in cued post-encoding condition as it does for controls. We hypothesize abnormal retrieval processes related to frontal lobe dysfunction which entails difficulties in generating stable long-memory traces at encoding. PMID:12752394

  6. Interfacial Phenomena in Al/Al, Al/Cu, and Cu/Cu Joints Soldered Using an Al-Zn Alloy with Ag or Cu Additions

    NASA Astrophysics Data System (ADS)

    Pstruś, Janusz; Gancarz, Tomasz

    2014-05-01

    The studies of soldered joints were carried out in systems: Al/solder/Al, Al/solder/Cu, Cu/solder/Cu, where the solder was (Al-Zn)EUT, (Al-Zn)EUT with 0.5, 1.0, and 1.5 at.% of Ag and (Al-Zn)EUT with 0.5, 1.0, and 1.5 at.% of Cu addition. Brazing was performed at 500 °C for 3 min. The EDS analysis indicated that the composition of the layers starting from the Cu pad was CuZn, Cu5Zn8, and CuZn4, respectively. Wetting tests were performed at 500 °C for 3, 8, 15, and 30 min, respectively. Thickness of the layers and their kinetics of growth were measured based on the SEM micrographs. The formation of interlayers was not observed from the side of Al pads. On the contrary, dissolution of the Al substrate and migration of Al-rich particles into the bulk of the solder were observed.

  7. Al-doped ZnO nanocrystals

    NASA Astrophysics Data System (ADS)

    Kadam, Pratibha; Agashe, Chitra; Mahamuni, Shailaja

    2008-11-01

    Al3+-doped ZnO nanocrystals were differently obtained by wet chemical and an electrochemical route. An increase in forbidden gap due to change in crystal size and also due to Al3+ doping in ZnO is critically analyzed. The Moss-Burstein type shift in Al3+-doped ZnO nanocrystals provides an evidence of successful Al3+ doping in ZnO nanocrystals. The possibility of varying the carrier concentration in ZnO nanocrystals is the indirect implication of the present investigations.

  8. Genetics of Familial and Sporadic ALS

    ClinicalTrials.gov

    2016-03-21

    Amyotrophic Lateral Sclerosis (ALS); Familial Amyotrophic Lateral Sclerosis; Amyotrophic Lateral Sclerosis With Frontotemporal Dementia; Lou Gehrig's Disease; Motor Neuron Disease; Primary Lateral Sclerosis

  9. Processing and Mechanical Properties of Directionally Solidified NiAl/NiAlTa Alloys

    NASA Technical Reports Server (NTRS)

    Johnson, D. R.; Oliver, B. F.; Noebe, R. D.; Whittenberger, J. D.

    1994-01-01

    Promising creep strengths were found for a directionally solidified NiAl-NiAlTa alloy when compared to other NiAl based intermetallics. The directionally solidified alloy had an off-eutectic composition that resulted in microstructures consisting of NiAl dendrites surrounded by aligned eutectic regions. The room temperature toughness of the two phase alloy was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa. Alloying additions that may improve the room temperature toughness by producing multiphase alloys are discussed.

  10. Effects of the Al content on pore structures of porous TieAl alloys

    SciTech Connect

    Jiang, Y; He, Y H; Zou, J; Huang, B; Liu, C

    2008-01-01

    PorousTi Alalloys with different nominal compositions were fabricated through a reactive synthesis of Ti and Al elemental powders. It has been found that the pore parameters vary with the Al contents, indicating that the nature of the pores can be manipulated through changing the Al contents. In addition, detailed structural characterizations showed that the fabricated porousTi Alalloys can have three crystalline phases (i.e., 2-Ti3Al, -TiAl, and TiAl3) when using different compositions. The fundamental reasons behind these phenomena have been explored.

  11. Response to Signorovitch et al.

    PubMed

    Flot, Jean-François; Debortoli, Nicolas; Hallet, Bernard; Van Doninck, Karine

    2016-08-22

    Signorovitch et al.[1] comment that an Oenothera-like meiosis [2] could produce a pattern similar to what we observed in our study of natural isolates of the bdelloid rotifer Adineta vaga, which we attributed to horizontal gene transfers (HGTs) [3]. Indeed, our HGT hypothesis appears at first sight difficult to conciliate with their observation of a congruent pattern of allele sharing at four large loci possibly located on different chromosomes [4]. However, one might imagine conditions under which massive horizontal gene transfer between bdelloid individuals could produce such a pattern, notably if the individuals involved had previously lost most of their heterozygosity because of their exposure to frequent desiccation (which produces DNA double-strand breaks [5]). In the published A. vaga genome the loss of heterozygosity due to large-scale gene conversion events or break-induced replication covers only about 10% of the genome [6], but this percentage may be much higher in environmental isolates that often experience dessication. Besides, if an Oenothera-like mode of meiosis occurs in bdelloids frequently enough to be detected in a single sampling of 29 individuals (as in [4]), one would expect males and meiosis to be observed at least occasionally, and instances of congruent allele sharing across loci should turn up frequently in genetic surveys. This was not the case in [3]: among the 82 A. vaga individuals sequenced for four nuclear markers, no trio of individuals presented congruent patterns of shared sequences at different loci. For these reasons, and in the absence of any direct evidence for an Oenothera-like meiosis in bdelloids, we still consider inter-bdelloid HGTs a more parsimonious explanation for our results. PMID:27554651

  12. Atomic structure and oxygen deficiency of the ultrathin aluminium oxide barrier in Al/AlOx/Al Josephson junctions

    NASA Astrophysics Data System (ADS)

    Zeng, Lunjie; Tran, Dung Trung; Tai, Cheuk-Wai; Svensson, Gunnar; Olsson, Eva

    2016-07-01

    Al/AlOx/Al Josephson junctions are the building blocks of a wide range of superconducting quantum devices that are key elements for quantum computers, extremely sensitive magnetometers and radiation detectors. The properties of the junctions and the superconducting quantum devices are determined by the atomic structure of the tunnel barrier. The nanoscale dimension and disordered nature of the barrier oxide have been challenges for the direct experimental investigation of the atomic structure of the tunnel barrier. Here we show that the miniaturized dimension of the barrier and the interfacial interaction between crystalline Al and amorphous AlOx give rise to oxygen deficiency at the metal/oxide interfaces. In the interior of the barrier, the oxide resembles the atomic structure of bulk aluminium oxide. Atomic defects such as oxygen vacancies at the interfaces can be the origin of the two-level systems and contribute to decoherence and noise in superconducting quantum circuits.

  13. Atomic structure and oxygen deficiency of the ultrathin aluminium oxide barrier in Al/AlOx/Al Josephson junctions

    PubMed Central

    Zeng, Lunjie; Tran, Dung Trung; Tai, Cheuk-Wai; Svensson, Gunnar; Olsson, Eva

    2016-01-01

    Al/AlOx/Al Josephson junctions are the building blocks of a wide range of superconducting quantum devices that are key elements for quantum computers, extremely sensitive magnetometers and radiation detectors. The properties of the junctions and the superconducting quantum devices are determined by the atomic structure of the tunnel barrier. The nanoscale dimension and disordered nature of the barrier oxide have been challenges for the direct experimental investigation of the atomic structure of the tunnel barrier. Here we show that the miniaturized dimension of the barrier and the interfacial interaction between crystalline Al and amorphous AlOx give rise to oxygen deficiency at the metal/oxide interfaces. In the interior of the barrier, the oxide resembles the atomic structure of bulk aluminium oxide. Atomic defects such as oxygen vacancies at the interfaces can be the origin of the two-level systems and contribute to decoherence and noise in superconducting quantum circuits. PMID:27403611

  14. Atomic structure and oxygen deficiency of the ultrathin aluminium oxide barrier in Al/AlOx/Al Josephson junctions.

    PubMed

    Zeng, Lunjie; Tran, Dung Trung; Tai, Cheuk-Wai; Svensson, Gunnar; Olsson, Eva

    2016-01-01

    Al/AlOx/Al Josephson junctions are the building blocks of a wide range of superconducting quantum devices that are key elements for quantum computers, extremely sensitive magnetometers and radiation detectors. The properties of the junctions and the superconducting quantum devices are determined by the atomic structure of the tunnel barrier. The nanoscale dimension and disordered nature of the barrier oxide have been challenges for the direct experimental investigation of the atomic structure of the tunnel barrier. Here we show that the miniaturized dimension of the barrier and the interfacial interaction between crystalline Al and amorphous AlOx give rise to oxygen deficiency at the metal/oxide interfaces. In the interior of the barrier, the oxide resembles the atomic structure of bulk aluminium oxide. Atomic defects such as oxygen vacancies at the interfaces can be the origin of the two-level systems and contribute to decoherence and noise in superconducting quantum circuits. PMID:27403611

  15. Durability Assessment of TiAl Alloys

    NASA Technical Reports Server (NTRS)

    Draper, Susan L.; Lerch, Bradley A.

    2008-01-01

    The durability of TiAl is a prime concern for the implementation of TiAl into aerospace engines. Two durability issues, the effect of high temperature exposure on mechanical properties and impact resistance, have been investigated and the results are summarized in this paper. Exposure to elevated temperatures has been shown to be detrimental to the room temperature ductility of gamma alloys with the most likely mechanisms being the ingress of interstitials from the surface. Fluorine ion implantation has been shown to improve the oxidation resistance of gamma alloys, and ideally it could also improve the environmental embrittlement of high Nb content TiAl alloys. The effect of F ion implantation on the surface oxidation and embrittlement of a third generation, high Nb content TiAl alloy (Ti-45Al-5Nb-B-C) were investigated. Additionally, the ballistic impact resistance of a variety of gamma alloys, including Ti-48Al-2Cr- 2Nb, Ti-47Al-2Cr-2Nb, ABB-2, ABB-23, NCG359E, 95A and Ti-45Al-5Nb-B-C was accessed. Differences in the ballistic impact properties of the various alloys will be discussed, particularly with respect to their manufacturing process, microstructure, and tensile properties.

  16. 76 FR 18783 - United States et al.

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-05

    ... Antitrust Division United States et al. v. Dean Foods Company; Proposed Final Judgment, Stipulation and... of America, et al. v. Dean Foods Company, Civil Action No. 2:10-cv-00059 (JPS). On January 22, 2010, the United States and its co-plaintiffs filed a Complaint alleging that Dean Foods...

  17. Diana Al-Hadid: Identity and Heritage

    ERIC Educational Resources Information Center

    Jungerberg, Tom; Smith, Anna; Borsh, Colleen

    2012-01-01

    Diana Al-Hadid's sculptures reflect the many locations, cultures, histories, and mythologies that have shaped her as an artist. In large-scale works which have the appearance of architectural ruins, Al-Hadid employs imagery drawn from many diverse interests including science and technology, history, and literature. She also incorporates images and…

  18. 75 FR 62858 - United States, et al.

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-13

    ... Antitrust Division United States, et al. v. American Express Company, et al.; Proposed Final Judgment and... been filed with the United States District Court for the Eastern District of New York in United States..., 2010, the United States and seven States filed a Complaint alleging that certain rules, policies,...

  19. Energetics of Al13 Keggin cluster compounds

    PubMed Central

    Armstrong, Christopher R.; Casey, William H.; Navrotsky, Alexandra

    2011-01-01

    The ϵ-Al13 Keggin aluminum hydroxide clusters are essential models in establishing molecular pathways for geochemical reactions. Enthalpies of formation are reported for two salts of aluminum centered ϵ-Keggin clusters, Al13 selenate, (Na(AlO4)Al12(OH)24(SeO4)4•12H2O) and Al13 sulfate, (NaAlO4Al12(OH)24(SO4)4•12H2O). The measured enthalpies of solution, ΔHsol, at 28 °C in 5 N HCl for the ε-Al13 selenate and sulfate are −924.57 (± 3.83) and −944.30 ( ± 5.66) kJ·mol-1, respectively. The enthalpies of formation from the elements, ΔHf,el, for Al13 selenate and sulfate are −19,656.35 ( ± 67.30) kJ·mol-1, and −20,892.39 ( ± 70.01) kJ·mol-1, respectively. In addition, ΔHf,el for sodium selenate decahydrate was calculated using data from high temperature oxide melt solution calorimetry measurements: −4,006.39 ( ± 11.91) kJ·mol-1. The formation of both ε-Al13 Keggin cluster compounds is exothermic from oxide-based components but energetically unfavorable with respect to a gibbsite-based assemblage. To understand the relative affinity of the ϵ-Keggin clusters for selenate and sulfate, the enthalpy associated with two S-Se exchange reactions was calculated. In the solid state, selenium is favored in the Al13 compound relative to the binary chalcogenate, while in 5 N HCl, sulfur is energetically favored in the cluster compound compared to the aqueous solution. This contribution represents the first thermodynamic study of ε-Al13 cluster compounds and establishes a method for other such molecules, including the substituted versions that have been created for kinetic studies. Underscoring the importance of ε-Al13 clusters in natural and anthropogenic systems, these data provide conclusive thermodynamic evidence that the Al13 Keggin cluster is a crucial intermediate species in the formation pathway from aqueous aluminum monomers to aluminum hydroxide precipitates. PMID:21852572

  20. Characteristics of heat resistant alloys Ti10Nb45Al and Ti18Nb48Al

    SciTech Connect

    Weijun Zhang; Guoliang Chen; Yandong Wang; Zuqing Sun )

    1993-05-01

    Based on a systematic study of the ternary Ti-Nb-Al system, two attractive heat resistant alloys, Ti10Nb45Al and Ti18Nb48Al, were developed, and the characteristics of these alloys were discussed: (1) After annealing at 1,200 C for 240 h and furnace cooling to room temperature, the Ti10Nb45Al alloy exhibits an [alpha][sub 2] + [gamma] lamellar microstructure, and the Ti18Nb48Al alloy shows a plate-like structure consisting of [alpha][sub 2], [gamma] and [gamma][sub 1] phases. (2) The specific strengths of Ti10Nb45Al and Ti18Nb48Al are much higher than TiAl and superalloys in the temperature range of 800 [approximately] 1,100 C. The compressive yield strengths of these alloys are on the order of 700 MPa at 800 C and 350 MPa at 1,100 C. The density of these alloys is about 4.3 g/cm[sup 3]. (3) The annealed Ti10Nb45Al and Ti18Nb48Al exhibit some ductility at room temperature, with the compressive elongation on the order of 12% and the fracture toughness as high as 16 MPa[radical]m. The ductile-brittle transformation temperatures for Ti10Nb45Al and Ti18Nb48Al are 650 C and 750 C, respectively. (4) The parabolic constant K[sub p] for oxidation of Ti10Nb45Al and Ti18Nb48Al are 0.88 and 0.29 mg[sup 2]cm[sup [minus]4]h[sup [minus]1] respectively, which are two orders of magnitude lower than that of TiAl and Ti[sub 3]Al alloys.

  1. Nucleation and Precipitation Strengthening in Dilute Al-Ti and Al-Zr Alloys

    NASA Astrophysics Data System (ADS)

    Knipling, Keith E.; Dunand, David C.; Seidman, David N.

    2007-10-01

    Two conventionally solidified Al-0.2Ti alloys (with 0.18 and 0.22 at. pct Ti) exhibit no hardening after aging up to 3200 hours at 375 °C or 425 °C. This is due to the absence of Al3Ti precipitation, as confirmed by electron microscopy and electrical conductivity measurements. By contrast, an Al-0.2Zr alloy (with 0.19 at. pct Zr) displays strong age hardening at both temperatures due to precipitation of Al3Zr (L12) within Zr-enriched dendritic regions. This discrepancy between the two alloys is explained within the context of the equilibrium phase diagrams: (1) the disparity in solid and liquid solubilities of Ti in α-Al is much greater than that of Zr in α-Al; and (2) the relatively small liquid solubility of Ti in α-Al limits the amount of solute retained in solid solution during solidification, while the comparatively high solid solubility reduces the supersaturation effecting precipitation during post-solidification aging. The lattice parameter mismatch of Al3Ti (L12) with α-Al is also larger than that of Al3Zr (L12), further hindering nucleation of Al3Ti. Classical nucleation theory indicates that the minimum solute supersaturation required to overcome the elastic strain energy of Al3Ti nuclei cannot be obtained during conventional solidification of Al-Ti alloys (unlike for Al-Zr alloys), thus explaining the absence of Al3Ti precipitation and the presence of Al3Zr precipitation.

  2. High temperature creep behaviour of Al-rich Ti-Al alloys

    NASA Astrophysics Data System (ADS)

    Sturm, D.; Heilmaier, M.; Saage, H.; Aguilar, J.; Schmitz, G. J.; Drevermann, A.; Palm, M.; Stein, F.; Engberding, N.; Kelm, K.; Irsen, S.

    2010-07-01

    Compared to Ti-rich γ-TiAl-based alloys Al-rich Ti-Al alloys offer an additional reduction of in density and a better oxidation resistance which are both due to the increased Al content. Polycrystalline material was manufactured by centrifugal casting. Microstructural characterization was carried out employing light-optical, scanning and transmission electron microscopy and XRD analyses. The high temperature creep of two binary alloys, namely Al60Ti40 and Al62Ti38 was comparatively assessed with compression tests at constant true stress in a temperature range between 1173 and 1323 K in air. The alloys were tested in the cast condition (containing various amounts of the metastable phases Al5Ti3 and h-Al2Ti) and after annealing at 1223 K for 200 h which produced (thermodynamically stable) lamellar γ-TiAl + r-Al2Ti microstructures. In general, already the as-cast alloys exhibit a reasonable creep resistance at 1173 K. Compared with Al60Ti40, both, the as-cast and the annealed Al62Ti38 alloy exhibit better creep resistance up to 1323 K which can be rationalized by the reduced lamella spacing. The assessment of creep tests conducted at identical stress levels and varying temperatures yielded apparent activation energies for creep of Q = 430 kJ/mol for the annealed Al60Ti40 alloy and of Q = 383 kJ/mol for the annealed Al62Ti38 material. The latter coincides well with that of Al diffusion in γ-TiAl, whereas the former can be rationalized by the instability of the microstructure containing metastable phases.

  3. Corrosion Studies of 2195 Al-Li Alloy and 2219 Al Alloy with Differing Surface Treatments

    NASA Technical Reports Server (NTRS)

    Danford, M. D.; Mendrek, M. J.

    1998-01-01

    Corrosion studies of 2195 Al-Li and 2219 Al alloys have been conducted using the scanning reference electrode technique (SRET) and the polarization resistance (PR) technique. The SRET was used to study corrosion mechanisms, while corrosion rate measurements were studied with the PR technique. Plates of Al203 blasted, soda blasted and conversion coated 2219 Al were coated with Deft primer and the corrosion rates studied with the EIS technique. Results from all of these studies are presented.

  4. NiAl alloys for structural uses

    NASA Technical Reports Server (NTRS)

    Koss, D. A.

    1991-01-01

    Alloys based on the intermetallic compound NiAl are of technological interest as high temperature structural alloys. These alloys possess a relatively low density, high melting temperature, good thermal conductivity, and (usually) good oxidation resistance. However, NiAl and NiAl-base alloys suffer from poor fracture resistance at low temperatures as well as inadequate creep strength at elevated temperatures. This research program explored macroalloying additions to NiAl-base alloys in order to identify possible alloying and processing routes which promote both low temperature fracture toughness and high temperature strength. Initial results from the study examined the additions of Fe, Co, and Hf on the microstructure, deformation, and fracture resistance of NiAl-based alloys. Of significance were the observations that the presence of the gamma-prime phase, based on Ni3Al, could enhance the fracture resistance if the gamma-prime were present as a continuous grain boundary film or 'necklace'; and the Ni-35Al-20Fe alloy was ductile in ribbon form despite a microstructure consisting solely of the B2 beta phase based on NiAl. The ductility inherent in the Ni-35Al-20Fe alloy was explored further in subsequent studies. Those results confirm the presence of ductility in the Ni-35Al-20Fe alloy after rapid cooling from 750 - 1000 C. However exposure at 550 C caused embrittlement; this was associated with an age-hardening reaction caused by the formation of Fe-rich precipitates. In contrast, to the Ni-35Al-20Fe alloy, exploratory research indicated that compositions in the range of Ni-35Al-12Fe retain the ordered B2 structure of NiAl, are ductile, and do not age-harden or embrittle after thermal exposure. Thus, our recent efforts have focused on the behavior of the Ni-35Al-12Fe alloy. A second parallel effort initiated in this program was to use an alternate processing technique, mechanical alloying, to improve the properties of NiAl-alloys. Mechanical alloying in the

  5. Al-Akhawayni's description of pulmonary circulation.

    PubMed

    Yarmohammadi, Hassan; Dalfardi, Behnam; Rezaian, Jafar; Ghanizadeh, Ahmad

    2013-10-01

    Since antiquity, heart function and the mechanism of blood circulation within the human body have been the focus of attention of scientists from different parts of the world. Over the passage of time, the theories and works of these scientists have resulted in the achievement of today's knowledge of circulation. The medieval Persian scholar, Al-Akhawayni Bukhari (?-983AD), is among the physicians who investigated both the anatomy and the physiology of the human body. Al-Akhawayni describes the mechanism of pulmonary circulation in his only extant book, "Hidayat al-Muta`llemin fi al-Tibb" (A Scholar's Guide to Medicine) with which he made a contribution to the development of knowledge regarding this mechanism in the medicine of the Islamic world. In this paper, Al-Akhawayni's viewpoints on anatomy and the function of the heart, its related vessels, and also pulmonary circulation will be briefly discussed. PMID:23890868

  6. Opportunities for improving therapy development in ALS.

    PubMed

    Bruijn, Lucie; Cudkowicz, Merit

    2014-06-01

    In May 2013, The ALS Association and The Northeast ALS Consortium (NEALS) convened a meeting of stakeholders for a round-table discussion of ways to improve therapy development in ALS. The following overview summarizes issues raised and potential new directions discussed at the meeting. We recommend that future phase II clinical trials in ALS proceed when the proposed treatment is directed at targets that are likely to be involved in ALS pathogenesis in a defined subgroup of patients, and be accompanied by one or more biomarkers to track both clinical progression and pharmacodynamic engagement of the target. Innovations in trial structure and design, and greater involvement of patient advocates, may also improve trials. PMID:24472060

  7. AL(0) in municipal waste incinerator ash

    NASA Astrophysics Data System (ADS)

    Stipp, S. L.; Ronsbo, J. G.; Zunic, T. B.; Christensen, T. H.

    2003-04-01

    Disposal of municipal waste is a challenge to society. Waste volume is substantially decreased by incineration but residual ash usually contains a number of toxic components which must be immobilised to insure environmental protection. One element, chromium, is mobile and toxic in its oxidised state as Cr(VI) but it can be reduced to Cr(III) and immobilised. Reduction can be promoted by ash treatment with Fe(0) or Fe(II), but recent evidence shows that at least some Cr(VI) is reduced spontaneously in the ash. Aspects of ash behaviour suggest metallic aluminium as the reducing agent, but no direct evidence of Al(0) has been found until now. We examined filter ash from an energy-producing, municipal-waste incinerator (Vest-forbrænding) near Copenhagen. X-ray diffraction (XRD) identified expected salts of Na, K and Ca such as halite, sylvite, calcite, anhydrite and gypsum as well as quartz, feldspar and some hematite. Wave-dispersive electron microprobe produced elemen-tal maps of the ash; Al-rich areas were analysed quantitatively by comparison with standards. We identified metallic Al particles, averaging 50 to 100 micrometers in di-ameter, often with a fractured, glassy border of aluminum oxide. The particles were porous, explaining fast Cr(VI) reduction and they contained thin exsolution lamellae of Al-alloys of Pb and Cu or Mn, Fe and Ag, which provide clues of the Al(0) origin in the waste. Sometimes Al(0) occurred inside glassy globes of Al2O3. Time-of-flight secondary ion mass spectroscopy (TOF-SIMS) and X-ray photoelectron spectroscopy (XPS) proved that surface Al concentrations on ash particles were below detection, confirming reactivity of the Al(0) bulk. The persistence of reduced Al through the highly oxidising combustion procedure comes as a surprise and is a benefit in the immobilisation of Cr(VI) from municipal-waste incineration residues.

  8. The Crystallography of Quasicrystals

    NASA Astrophysics Data System (ADS)

    Rabson, David Alan

    A century ago, E. S. Fedorov, A. Schonflies, and W. Barlow, working independently, classified the 230 distinct symmetry groups of objects repeated periodically in three-dimensional space. The 230 space groups determine the symmetries of macroscopic properties and provide crystallographers with their most important tool in deducing structure; as such, they find use in biology, organic chemistry, and virology as well as in physics, geology, and materials science. With the discovery in 1984 of quasicrystals, well-ordered but aperiodic metallic alloys with crystallographically forbidden rotational symmetries, the need arose to develop a space-group theory for these new materials. Based on the work by Rokhsar, Wright, and Mermin^1 in two dimensions, Rabson, Mermin, Rokhsar, and Wright have classified all quasicrystal and crystal three -dimensional axial space groups.^2 Our classification, proceeding in reciprocal space, is elementary, does not rely on projecting higher-dimensional crystallographic space groups, and is valid for arbitrary rotational symmetry. As an additional illustration of quasicrystallographic space groups, I derive and demonstrate algorithms that produce two-dimensional tilings of rhombi with each of the possible plane-group symmetries.^3 While the analogous task for crystallographic plane groups is trivial, the lack of translational symmetry in a quasicrystal tiling makes these constructions interesting. Since the symmetry of a quasicrystal appears more naturally in reciprocal than in direct space, it is not surprising that some of the resulting tilings seem intricate, although in fact their symmetries are quite simple. ftn^1 Acta Cryst. A44, 197-211 (1988). ^2 "The Space Groups of Axial Crystals and Quasicrystals," preprint. ^3See also Rabson, Ho, and Mermin, Acta Cryst. A44, 678 (1988) and Acta Cryst. A45, 538 (1989).

  9. Density- and wavefunction-normalized Cartesian spherical harmonics for l ≤ 20.

    PubMed

    Michael, J Robert; Volkov, Anatoliy

    2015-03-01

    The widely used pseudoatom formalism [Stewart (1976). Acta Cryst. A32, 565-574; Hansen & Coppens (1978). Acta Cryst. A34, 909-921] in experimental X-ray charge-density studies makes use of real spherical harmonics when describing the angular component of aspherical deformations of the atomic electron density in molecules and crystals. The analytical form of the density-normalized Cartesian spherical harmonic functions for up to l ≤ 7 and the corresponding normalization coefficients were reported previously by Paturle & Coppens [Acta Cryst. (1988), A44, 6-7]. It was shown that the analytical form for normalization coefficients is available primarily for l ≤ 4 [Hansen & Coppens, 1978; Paturle & Coppens, 1988; Coppens (1992). International Tables for Crystallography, Vol. B, Reciprocal space, 1st ed., edited by U. Shmueli, ch. 1.2. Dordrecht: Kluwer Academic Publishers; Coppens (1997). X-ray Charge Densities and Chemical Bonding. New York: Oxford University Press]. Only in very special cases it is possible to derive an analytical representation of the normalization coefficients for 4 < l ≤ 7 (Paturle & Coppens, 1988). In most cases for l > 4 the density normalization coefficients were calculated numerically to within seven significant figures. In this study we review the literature on the density-normalized spherical harmonics, clarify the existing notations, use the Paturle-Coppens (Paturle & Coppens, 1988) method in the Wolfram Mathematica software to derive the Cartesian spherical harmonics for l ≤ 20 and determine the density normalization coefficients to 35 significant figures, and computer-generate a Fortran90 code. The article primarily targets researchers who work in the field of experimental X-ray electron density, but may be of some use to all who are interested in Cartesian spherical harmonics. PMID:25727874

  10. Japanese version of the ALS-FTD-Questionnaire (ALS-FTD-Q-J).

    PubMed

    Watanabe, Yasuhiro; Beeldman, Emma; Raaphorst, Joost; Izumi, Yuishin; Yoshino, Hiide; Masuda, Michihito; Atsuta, Naoki; Ito, Satoru; Adachi, Tadashi; Adachi, Yoshiki; Yokota, Osamu; Oda, Masaya; Hanashima, Ritsuko; Ogino, Mieko; Ichikawa, Hiroo; Hasegawa, Kazuko; Kimura, Hideki; Shimizu, Toshio; Aiba, Ikuko; Yabe, Hayato; Kanba, Makoto; Kusumi, Kimiyoshi; Aoki, Tetsuya; Hiroe, Yu; Watanabe, Hirohisa; Nishiyama, Kazutoshi; Nomoto, Masahiro; Sobue, Gen; Nakashima, Kenji

    2016-08-15

    Amyotrophic lateral sclerosis (ALS) and frontotemporal dementia (FTD) share common clinical, genetic and neuropathological features. Some ALS patients have behavioral/personality changes, which could result in significant obstacles in the care provided by family members and caregivers. An easy screening tool would contribute greatly to the evaluation of these symptoms. We translated the ALS-FTD-Questionnaire, developed in the Netherlands, into Japanese (ALS-FTD-Q-J) and examined the clinimetric properties (internal consistency, construct and clinical validity). Patients with ALS and/or behavioral variant FTD (bvFTD) were evaluated alongside healthy controls in this multicenter study. All ALS patients, regardless of bvFTD status, were further evaluated by the frontal behavioral inventory (FBI) and for frontal/executive function, cognition, anxiety/depression, and motor functions. Data from 146 subjects were analyzed: ALS (92), ALS-bvFTD (6), bvFTD (16), and healthy controls (32). The internal consistency of the ALS-FTD-Q-J was good (Cronbach α=0.92). The ALS-FTD-Q-J showed construct validity as it exhibited a high correlation with the FBI (r=0.79). However, correlations were moderate with anxiety/depression and low with cognitive scales, in contrast to the original report, i.e. a moderate correlation with cognition and a low correlation with anxiety/depression. The ALS-FTD-Q-J discriminated ALS patients from (ALS-)bvFTD patients and controls. Thus, the ALS-FTD-Q-J is useful for evaluating Japanese ALS/FTD patients. PMID:27423564

  11. Atomistic Modeling of RuAl and (RuNi) Al Alloys

    NASA Technical Reports Server (NTRS)

    Gargano, Pablo; Mosca, Hugo; Bozzolo, Guillermo; Noebe, Ronald D.; Gray, Hugh R. (Technical Monitor)

    2002-01-01

    Atomistic modeling of RuAl and RuAlNi alloys, using the BFS (Bozzolo-Ferrante-Smith) method for alloys is performed. The lattice parameter and energy of formation of B2 RuAl as a function of stoichiometry and the lattice parameter of (Ru(sub 50-x)Ni(sub x)Al(sub 50)) alloys as a function of Ni concentration are computed. BFS based Monte Carlo simulations indicate that compositions close to Ru25Ni25Al50 are single phase with no obvious evidence of a miscibility gap and separation of the individual B2 phases.

  12. Effects of hydrogen absorption in TbNiAl and UNiAl

    SciTech Connect

    Bordallo, H.N.; Nakotte, H.; Schultz, A.; Kolomiets, A.V.; Havela, L.; Andreev, A.V.

    1998-12-31

    Although hydrides of intermetallic compounds are used extensively as hydrogen-storage media, little is known about the exact nature of metal-hydrogen interactions. However, this knowledge is of essential importance for the understanding of thermodynamics and other properties. Hydrides (deuterides) of TbNiAl and UNiAl have been widely studied because of drastic increase of magnetic ordering temperature under hydrogenation. Here the authors report neutron-diffraction results of the three deuterides, TbNiAlD{sub 1.28}, TbNiAlD{sub 0.8}a nd UNiAlD{sub 2.23}.

  13. A new discontinuously reinforced aluminum MMC: Al+AlB{sub 2} flakes

    SciTech Connect

    HALL,AARON C.; ECONOMY,J.

    2000-06-08

    Development of a novel metal matrix composite based on the Al-B alloy system has been undertaken. Preparation of this discontinuously reinforced material is based on the precipitation of high aspect ratio AlB{sub 2} from an Al-B alloy. This paper describes a number of efforts forced on preparing high volume fractions (> 30 v%) of AlB{sub 2} in aluminum. New insights into the behavior of the Al-B alloys system allowed this effort to be successful.

  14. Orthorhombic aluminium oxyfluoride, AlOF.

    PubMed

    Vasiliev, Alexander D; Melnikova, Svetlana V; Isaenko, Lyudmila I

    2009-04-01

    Crystals of the title compound were extracted from the bulk of grown SrAlF(5) crystals as unexpected inclusions that were identified as the long sought after aluminium oxyfluoride. The structure of AlOF is built up from tetrahedral and octahedral polyhedra. Each tetrahedron is bisected by a mirror plane, with the Al atom and two vertex anions in the plane. All tetrahedral vertices are positions of competing oxide and fluoride ions and are shared with octahedra. These shared vertices belong to two octahedral edges which join the octahedra to form infinite zigzag chains. The chains are strung along twofold screw axes that run parallel to the unit-cell b axis. The remaining two octahedral vertices are occupied only by fluoride ions. A small deficiency in the occupation of the octahedral Al position was suggested by the refinement. However, the stoichiometry of the compound is AlOF within experimental uncertainty. The Al-F(O) distances are separated into three groups with average values of 1.652 (3) (tetrahedra), 1.800 (2) (octahedra) and 1.894 (2) A (octahedra). This structure differs widely from the reported tetragonal phase Al(1-x)O(1-3x)F(1+3x) (x = 0.0886) [Kutoglu (1992). Z. Kristallogr. 199, 197-201], which consists solely of octahedral structural units. PMID:19346595

  15. Electrical conductivity of Al-bearing bridgmanite

    NASA Astrophysics Data System (ADS)

    Yoshino, T.; Kamada, S.; Ohtani, E.; Hirao, N.

    2015-12-01

    Electrical conductivity measurements of bridgmanite with various Al contents and constant Mg# 90 at room temperature up to 2000 K and 26-28 GPa were performed in Kawai-type multianvil apparatus using impedance spectroscopic analyses. The incorporation of Al into bridgmanite significantly raises the electrical conductivity but it is small conductivity variation with respect to the amount of Al. Synchrotron Mössbauer spectroscopy of recovered samples showed a significant amount of ferric iron in aluminous bridgmanite. The mobility of charge carriers in bridgmanite was calculated from the conductivity and Fe3+/ΣFe. A relation between the logarithm of electrical conductivity and reciprocal temperature is consistent with Fe2+-Fe3+ electron hopping (small polaron) as the dominant conduction mechanism at low temperatures (< 1400 K) and ionic conduction at high temperatures (> 1600 K). Taking various conduction mechanisms into account, we develop an electrical conductivity model for aluminous bridgmanite as a function of Al and Fe content. This conductivity model suggests that the electrical conductivity of aluminous bridgmanite has a maximum at around 0.13 Al per formula unit, and further increase of Al in bridgmanite reduces the conductivity. The conductivity increase observed in the uppermost lower mantle by electromagnetic studies can be explained by increases of Fe and Na content in combination with substitution of Al into bridgmanite with increasing pressure due to the gradual decomposition of majorite garnet.

  16. Comparative study on interface and bulk charges in AlGaN/GaN metal-insulator-semiconductor heterostructures with Al2O3, AlN, and Al2O3/AlN laminated dielectrics

    NASA Astrophysics Data System (ADS)

    Zhu, Jie-Jie; Ma, Xiao-Hua; Chen, Wei-Wei; Hou, Bin; Xie, Yong; Hao, Yue

    2016-05-01

    In this paper, the interface and bulk charges in AlGaN/GaN metal-insulator-semiconductor (MIS) heterostructures with AlN, Al2O3, and Al2O3/AlN laminated dielectrics were studied. In situ plasma pretreatment resulted negligible interface trap states and voltage hysteresis. The fixed charge density at Al2O3/AlN (or Al2O3/barrier) interface was estimated to be 1.66 × 1013 cm-2 by using flat-band voltage shift, and the oxide bulk charge concentration was 2.86 × 1017 cm-3. The interface charge density at other interfaces were at the order of 1011 cm-2. Simulation results using the above charge density/concentration indicated that Al2O3/AlN interface fixed charges dominated the dielectric-related voltage shift in AlGaN/GaN MIS heterostructures, which caused a large voltage shift of -3 V with 10 nm Al2O3 thickness, while the flat-band voltage variety resulting from other types of charges was within 0.1 V.

  17. Arsenate uptake by Al nanoclusters and other Al-based sorbents during water treatment.

    PubMed

    Mertens, Jasmin; Rose, Jérôme; Wehrli, Bernhard; Furrer, Gerhard

    2016-01-01

    In many parts of the world, arsenic from geogenic and anthropogenic sources deteriorates the quality of drinking water resources. Effective methods of arsenic removal include adsorption and coagulation with iron- and aluminum-based materials, of which polyaluminum chloride is widely employed as coagulant in water treatment due to its low cost and high efficiency. We compared the arsenic uptake capacity and the arsenic bonding sites of different Al-based sorbents, including Al nanoclusters, polyaluminum chloride, polyaluminum granulate, and gibbsite. Extended X-ray absorption fine structure (EXAFS) spectroscopy revealed that As(V) forms bidentate-binuclear complexes in interaction with all Al-based removal agents. The octahedral configuration of nanoclusters and the distribution of sorption sites remain the same in all types of removal agents consisting of nano-scale Al oxyhydroxide particles. The obtained distances for As(V)-O and As(V)-Al agreed with previously published data and were found to be 1.69 ± 0.02 Å and 3.17-3.21 Å, respectively. Our study suggests that As(V) binds to Al nanoclusters as strongly as to Al oxide surfaces. The As sorption capacity of Al nanoclusters was found to be very similar to that of Al clusters in a polyaluminum chloride. The most efficient Al-based sorbents for arsenic removal were Al nanoclusters, followed by polyaluminum granulate. PMID:26613179

  18. Hybrid Al + Al3Ni metallic foams synthesized in situ via laser engineered net shaping

    NASA Astrophysics Data System (ADS)

    Zheng, Baolong; Li, Ying; Smugeresky, John E.; Zhou, Yizhang; Baker, Dean; Lavernia, Enrique J.

    2011-09-01

    A hybrid, Al + Al3Ni metallic foam was synthesized in situ via laser engineered net shaping (LENS®) of Ni-coated 6061 Al powder in the absence of a foaming agent. During LENS® processing, the Ni coating reacted with the Al matrix, resulting in the simultaneous formation of a fine dispersion of Al3Ni, and a high volume fraction of porosity. As a reinforcement phase, the intermetallic compound formed particles with a size range of 1-5 µm and a volume fraction of 63%, with accompanying 35-300 µm pores with a 60% volume fraction. The microstructure of the as-deposited Al + Al3Ni composite foams was characterized using SEM, EDS, XRD and TEM/HRTEM techniques. The evolution of the microstructure was analyzed on the basis of the thermal field present during deposition, paying particular attention to the thermodynamics of the Al3Ni intermetallic compound formation as well as discussing the mechanisms that may be responsible for the observed porosity. The mechanical behavior of the as-deposited material was characterized using compression and microhardness testing, indicating that the yield strength and hardness are 190 MPa and 320 HV, respectively, which represents an increase of over three times higher than that of annealed Al6061, or similar to heat-treated Al6061 fully dense matrix, and much higher than those of traditional Al alloy foams, and with a low density of 1.64 g/m3.

  19. Optical characterization of Al- and N-polar AlN waveguides for integrated optics

    NASA Astrophysics Data System (ADS)

    Rigler, Martin; Buh, Jože; Hoffmann, Marc P.; Kirste, Ronny; Bobea, Milena; Mita, Seiji; Gerhold, Michael D.; Collazo, Ramon; Sitar, Zlatko; Zgonik, Marko

    2015-04-01

    Dispersion of the extraordinary and ordinary refractive indices of Al- and N-polar AlN waveguides is measured by multiple angle-of-incidence and spectroscopic ellipsometry techniques. The polarity-controlled AlN layers are grown by metal-organic chemical vapor deposition on (0001)-sapphire substrates. Taking into consideration the different surface morphologies of the Al- and N-polar AlN waveguides, we propose two optical models to describe the measured ellipsometry data. The results indicate that there is no difference between the refractive indices of the AlN grown in opposite directions, which confirms the potential of the AlN lateral polar structures for use in nonlinear optical applications based on quasi phase matching.

  20. A Rechargeable Al/S Battery with an Ionic-Liquid Electrolyte.

    PubMed

    Gao, Tao; Li, Xiaogang; Wang, Xiwen; Hu, Junkai; Han, Fudong; Fan, Xiulin; Suo, Liumin; Pearse, Alex J; Lee, Sang Bok; Rubloff, Gary W; Gaskell, Karen J; Noked, Malachi; Wang, Chunsheng

    2016-08-16

    Aluminum metal is a promising anode material for next generation rechargeable batteries owing to its abundance, potentially dendrite-free deposition, and high capacity. The rechargeable aluminum/sulfur (Al/S) battery is of great interest owing to its high energy density (1340 Wh kg(-1) ) and low cost. However, Al/S chemistry suffers poor reversibility owing to the difficulty of oxidizing AlSx . Herein, we demonstrate the first reversible Al/S battery in ionic-liquid electrolyte with an activated carbon cloth/sulfur composite cathode. Electrochemical, spectroscopic, and microscopic results suggest that sulfur undergoes a solid-state conversion reaction in the electrolyte. Kinetics analysis identifies that the slow solid-state sulfur conversion reaction causes large voltage hysteresis and limits the energy efficiency of the system. PMID:27417442

  1. Oxidation of Al2O3 continuous fiber-reinforced/NiAl composites

    NASA Technical Reports Server (NTRS)

    Doychak, J.; Nesbitt, J. A.; Noebe, R. D.; Bowman, R. R.

    1992-01-01

    The 1200 C and 1300 C isothermal and cyclic oxidation behavior of Al2O3 continuous fiber-reinforced/NiAl composites were studied. Oxidation resulted in formation of Al2O3 external scales in a similar manner as scales formed on monolithic NiAl. The isothermal oxidation of an Al2O3/NiAl composite resulted in oxidation of the matrix along the fiber/matrix interface near the fiber ends. This oxide acted as a wedge between the fiber and the matrix, and, under cyclic oxidation conditions, led to further oxidation along the fiber lengths and eventual cracking of the composite. The oxidation behavior of composites in which the Al2O3 fibers were sputter coated with nickel prior to processing was much more severe. This was attributed to open channels around the fibers which formed during processing, most likely as a result of the diffusion of the nickel coating into the matrix.

  2. High performance AlGaN/GaN HEMTs with AlN/SiNx passivation

    NASA Astrophysics Data System (ADS)

    Xin, Tan; Yuanjie, Lü; Guodong, Gu; Li, Wang; Shaobo, Dun; Xubo, Song; Hongyu, Guo; Jiayun, Yin; Shujun, Cai; Zhihong, Feng

    2015-07-01

    AlGaN/GaN high electron-mobility transistors (HEMTs) with 5 nm AlN passivation by plasma enhanced atomic layer deposition (PEALD) were fabricated, covered by 50 nm SiNx which was grown by plasma enhanced chemical vapor deposition (PECVD). With PEALD AlN passivation, current collapse was suppressed more effectively and the devices show better subthreshold characteristics. Moreover, the insertion of AlN increased the RF transconductance, which lead to a higher cut-off frequency. Temperature dependence of DC characteristics demonstrated that the degradations of drain current and maximum transconductance at elevated temperatures for the AlN/SiNx passivated devices were much smaller compared with the devices with SiNx passivation, indicating that PEALD AlN passivation can improve the high temperature operation of the AlGaN/GaN HEMTs. Project supported by the National Natural Science Foundation of China (No. 60890192).

  3. Ni{sub 3}Al aluminide alloys

    SciTech Connect

    Liu, C.T.

    1993-10-01

    This paper provides a brief review of the recent progress in research and development of Ni{sub 3}Al and its alloys. Emphasis has been placed on understanding low ductility and brittle fracture of Ni{sub 3}Al alloys at ambient and elevated temperatures. Recent studies have resulted in identifying both intrinsic and extrinsic factors governing the fracture behavior of Ni{sub 3}Al alloys. Parallel efforts on alloy design using physical metallurgy principles have led to properties for structural use. Industrial interest in these alloys is high, and examples of industrial involvement in processing and utilization of these alloys are briefly mentioned.

  4. Suspected variables among Al Sufi stars.

    NASA Astrophysics Data System (ADS)

    Hoffleit, D.

    In the tenth century Al Sufi compiled a catalogue of some 1100 stars. J.E. Gore, around 1900, wrote extensively on the magnitudes of these stars. On intercomparing them with a few other catalogues, Gore surmised that some 38 stars appeared to show secular variations. Here all the Al Sufi magnitudes have been compared with numerous additional sources, but smooth secular variations are not substantiated although some stars seem to have undergone comparatively sudden changes after about 1600. About 70 Al Sufi stars are now named or suscpected variable stars, but nearly all with amplitudes under 0.3 V.

  5. (E)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from Aristotelia chilensis (Maqui).

    PubMed

    Paz, Cristian; Moreno, Yanko; Becerra, José; Silva, Mario; Burgos, Viviana; Freire, Eleonora; Baggio, Ricardo

    2013-07-01

    The natural title compound, C11H12O4, extracted from the Chilean native tree Aristotelia chilensis (Maqui), is a polymorph of the synthetic E form reported by Xia, Hu & Rao [Acta Cryst. (2004), E60, o913-o914]. Both rotational conformers are identical from a metrical point of view, and only differ in the orientation of the 3,4-dihydroxyphenyl ring with respect to the rest of the molecule, which leads to completely different crystal structure arrangements and packing efficiencies. The reasons behind both reside in the different hydrogen-bonding interactions. PMID:23832039

  6. On the effective ionic radii for ammonium.

    PubMed

    Sidey, Vasyl

    2016-08-01

    A set of effective ionic radii corresponding to different coordination numbers (CNs) and compatible with the radii system by Shannon [Acta Cryst. (1976), A32, 751-767] has been derived for ammonium: 1.40 Å (CN = IV), 1.48 Å (CN = VI), 1.54 Å (CN = VIII) and 1.67 Å (CN = XII). The bond-valence parameters r0 = 2.3433 Å and B = 0.262 Å have been determined for ammonium-fluorine bonds. PMID:27484382

  7. The application of eigensymmetries of face forms to X-ray diffraction intensities of crystals twinned by `reticular merohedry'

    NASA Astrophysics Data System (ADS)

    Klapper, H.; Hahn, Th

    2012-01-01

    Crystallographic face forms {hkl} are interpreted as sets of symmetry-equivalent X-ray reflections. Extending an earlier paper on twinning by merohedry [ [Sigma] = 1, Klapper & Hahn (2010). Acta Cryst. A66, 327-346], the eigensymmetry of these forms is used to derive general relations between the diffraction intensities of overlapping twin-related reflections. The following twins by reticular merohedry are treated: [Sigma] 3 twins of rhombohedral and cubic, [Sigma] 5 twins of tetragonal and [Sigma] 7 twins of hexagonal crystals.

  8. Redetermination of tetra­kis(N,N-diethyl­dithio­carbamato)tin(IV)

    PubMed Central

    Okio, Coco K. Y. A.; Speziali, Nivaldo L.

    2009-01-01

    The crystal structure of the title compound, [Sn(C5H10NS2)4], was originally determined by Harreld & Schlemper [Acta Cryst. (1971), B27, 1964–1969] using intensity data estimated from Weissenberg films. In comparison with the previous refinement, the current redetermination reveals anisotropic displacement parameters for all non-H atoms, localization of the H atoms, and higher precision of lattice parameters and inter­atomic distances. The complex features a distorted S6 octa­hedral coordination geometry for tin and a cis disposition of the monodentate dithio­carbamate ligands. PMID:21583036

  9. An amino-imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate.

    PubMed

    Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu

    2013-01-01

    The contributions of the amino and imino resonance forms to the ground-state structures of 2-amino-4-methylpyridinium nitrate, C(6)H(9)N(2)(+)·NO(3)(-), and the previously reported 2-amino-5-methylpyridinium nitrate [Yan, Fan, Bi, Zuo & Zhang (2012). Acta Cryst. E68, o2084], were studied using a combination of IR spectroscopy, X-ray crystallography and density functional theory (DFT). The results show that the structures of 2-amino-4-methylpyridine and 2-amino-5-methylpyridine obtained upon protonation are best described as existing largely in the imino resonance forms. PMID:23282916

  10. Structural complexity and configurational entropy of crystals.

    PubMed

    Krivovichev, Sergey V

    2016-04-01

    Using a statistical approach, it is demonstrated that the complexity of a crystal structure measured as the Shannon information per atom [Krivovichev (2012). Acta Cryst. A68, 393-398] represents a negative contribution to the configurational entropy of a crystalline solid. This conclusion is in full accordance with the general agreement that information and entropy are reciprocal variables. It also agrees well with the understanding that complex structures possess lower entropies relative to their simpler counterparts. The obtained equation is consistent with the Landauer principle and points out that the information encoded in a crystal structure has a physical nature. PMID:27048729

  11. Crystallography without Crystals: An Overview

    NASA Astrophysics Data System (ADS)

    Ourmazd, Abbas

    2007-03-01

    Protein X-ray crystallography, an ``outgrowth of physics,'' is now the mainstay of biology, biochemistry, and the pharmaceutical industry. However, roughly 40% of biological molecules do not crystallize. And although more than half a million proteins have been sequenced, the structure of less than 40,000 has been determined. By obviating the need for purification and crystallization, the ability to determine the structure of individual biological molecules would constitute a fundamental breakthrough. The confluence of four developments has generated intense interest in achieving this by short-pulse X-ray scattering: *The advent of algorithms capable of ``solving the phase problem'' with practical demonstrations in astronomy, high-energy electron diffraction, and protein crystallography [1,2,3]. *Development of sophisticated techniques for determining the relative orientation of electron microscope images of biological entities such as cells and large macromolecules [4]. *Development of techniques for producing beams of hydrated proteins [3,5]. *The promise of ultra-bright, short pulses of X-rays from X-ray Free Electron Lasers (XFELs) under construction in the US, Europe, and Japan. I will describe how these and other key developments have brought the prospect of single-molecule structure determination ``tantalizingly close,'' perhaps even closer than generally realized in the literature. [1] J. R. Fienup, Appl. Opt. 21, 2758 (1982). [2] J. Miao et al. PNAS 98, 6641 (2001). [3] J.C.H. Spence et al. Acta Cryst. A61, 237 (2005) [4] J. Frank, Three-Dimensional Electron Microscopy of Macromolecular Assemblies (OUP Press, 2006) [5] J.B. Fenn, J. Biomolecular Techniques 13, 101 (2002).

  12. Icosahedral symmetry breaking: C(60) to C(84), C(108) and to related nanotubes.

    PubMed

    Bodner, Mark; Bourret, Emmanuel; Patera, Jiri; Szajewska, Marzena

    2015-05-01

    This paper completes the series of three independent articles [Bodner et al. (2013). Acta Cryst. A69, 583-591, (2014), PLOS ONE, 10.1371/journal.pone.0084079] describing the breaking of icosahedral symmetry to subgroups generated by reflections in three-dimensional Euclidean space {\\bb R}^3 as a mechanism of generating higher fullerenes from C60. The icosahedral symmetry of C60 can be seen as the junction of 17 orbits of a symmetric subgroup of order 4 of the icosahedral group of order 120. This subgroup is noted by A1 × A1, because it is isomorphic to the Weyl group of the semi-simple Lie algebra A1 × A1. Thirteen of the A1 × A1 orbits are rectangles and four are line segments. The orbits form a stack of parallel layers centered on the axis of C60 passing through the centers of two opposite edges between two hexagons on the surface of C60. These two edges are the only two line segment layers to appear on the surface shell. Among the 24 convex polytopes with shell formed by hexagons and 12 pentagons, having 84 vertices [Fowler & Manolopoulos (1992). Nature (London), 355, 428-430; Fowler & Manolopoulos (2007). An Atlas of Fullerenes. Dover Publications Inc.; Zhang et al. (1993). J. Chem. Phys. 98, 3095-3102], there are only two that can be identified with breaking of the H3 symmetry to A1 × A1. The remaining ones are just convex shells formed by regular hexagons and 12 pentagons without the involvement of the icosahedral symmetry. PMID:25921498

  13. Compounds with a ‘stuffed’ anti-bixbyite-type structure, analysed in terms of the Zintl–Klemm and coordination-defect concepts

    PubMed Central

    Vegas, Angel; Martin, Raymond L.; Bevan, D. J. M.

    2009-01-01

    The bixbyite structure (Mn2O3) () is often described as a distorted face-centered cubic (f.c.c.) array of Mn atoms, with O atoms occupying 3/4 of the tetrahedral holes. The empty M 4 tetrahedra are centred at 16c. In anti-bixbyite structures (Mg3N2), cation vacancies are centred in empty N4 tetrahedra. If 16 hypothetical atoms were located at this site they would form the structure of γ-Si. This means that anti-bixbyite structures are ideally prepared to accommodate Si(Ge) atoms at these holes. Several compounds (Li3AlN2 and Li3ScN2) fully satisfy this expectation. They are really anti-bixbyites ‘stuffed’ with Al(Sc). The presence of these atoms in 16c is illuminated in the light of the extended Zintl–Klemm concept (EZKC) [Vegas & García-Baonza (2007 ▶). Acta Cryst. B63, 339–345], from which a compound would be the result of ‘multiple resonance’ pseudo-structures, emerging from electron transfers between any species pair (like or unlike atoms, cations or anions). The coordination-defect (CD) concept [Bevan & Martin (2008) ▶. J. Solid State Chem. 181, 2250–2259] is also consistent with the EZKC description of the pseudo-structures. A more profound insight into crystal structures is gained if one is not restricted to the contemplation of classical anions and cations in their conventional oxidation states. PMID:19155554

  14. Ring-strain release in neutral and dicationic 7,8,17,18-tetra­bromo-5,10,15,20-tetra­phenyl­porphyrin: crystal structures of C44H26Br4N4 and C44H28Br4N4 2+·2ClO4 −·3CH2Cl2

    PubMed Central

    Scheidt, W. Robert; Duval, Hugues F.; Oliver, Allen G.

    2016-01-01

    Two porphyrin complexes were studied to determine the effects of protonation on ring deformation within the porphyrin. The porphyrin 7,8,17,18-tetra­bromo-5,10,15,20-tetra­phenyl­porphyrin, C44H26Br4N4, was selected because the neutral species is readily doubly protonated to yield a dication, which was crystallized here with perchlorate counter-ions as a di­chloro­methane tris­olvate, C44H28Br4N4 2+·2ClO4 −·3CH2Cl2. The centrosymmetric neutral species is observed to have a mild ‘ruffling’ of the pyrrole rings and is essentially planar throughout; intra­molecular N—H⋯N hydrogen bonds occur. In contrast, the dication exhibits considerable deformation, with the pyrrole rings oriented well out of the plane of the porphyrin, resulting in a ‘saddle’ conformation of the ring. The charged species forms N—H⋯O hydrogen bonds to the perchlorate anions, which lie above and below the plane of the porphyrin ring. Distortions to the planarity of the pyrrole rings in both cases are very minor. The characterization of the neutral species represents a low-temperature redetermination of the previous room-temperature analyses [Zou et al. (1995 ▸). Acta Cryst. C51, 760–761; Rayati et al. (2008 ▸). Polyhedron, pp. 2285–2290], which showed disorder and physically unrealistic displacement parameters. PMID:27308051

  15. Etude structurale et vibrationnelle d’un nouveau composé complexe de cobalt: [Co(imidazole)4Cl]Cl

    PubMed Central

    Derbel, Amira; Mhiri, Tahar; Graia, Mohsen

    2015-01-01

    In the title complex, chlorido­tetra­kis­(1H-imidazole-κN 3)cobalt(II) chloride, [CoCl(C3H4N2)4]Cl, the CoII cation has a distorted square-pyramidal coordination environment. It is coordinated by four N atoms of four imidazole (Im) groups in the basal plane, and by a Cl atom in the apical position. It is isostructural with [Cu(Im)4Cl]Cl [Morzyk-Ociepa et al. (2012 ▸). J. Mol. Struct. 1028, 49–56] and [Cu(Im)4Br]Br [Hossaini Sadr et al. (2004 ▸). Acta Cryst. E60, m1324–m1326]. In the crystal, the [CoCl(C3H4N2)4]+ cations and Cl− anions are linked via N—H⋯Cl hydrogen bonds, forming layers parallel to (010). These layers are linked via C—H⋯Cl hydrogen bonds and C—H⋯π and π–π [inter-centroid distance = 3.794 (2) Å] inter­actions, forming a three-dimensional framework. The IR spectrum shows vibrational bands typical for imidazol groups. The monoclinic unit cell of the title compound emulates an ortho­rhom­bic cell as its β angle is close to 90°. The crystal is twinned, with the refined ratio of twin components being 0.569 (1):0.431 (1). PMID:26594402

  16. Characterization of AlInN/AlN/GaN Heterostructures with Different AlN Buffer Thickness

    NASA Astrophysics Data System (ADS)

    Çörekçi, S.; Dugan, S.; Öztürk, M. K.; Çetin, S. Ş.; Çakmak, M.; Özçelik, S.; Özbay, E.

    2016-05-01

    Two AlInN/AlN/GaN heterostructures with 280-nm- and 400-nm-thick AlN buffer grown on sapphire substrates by metal-organic chemical vapor deposition (MOCVD) have been investigated by x-ray diffraction (XRD), atomic force microscopy (AFM), photoluminescence (PL) and Hall-effect measurements. The symmetric (0002) plane with respect to the asymmetric (10bar{1} 2) plane in the 280-nm-thick AlN buffer has a higher crystal quality, as opposed to the 400-nm-thick buffer. The thinner buffer improves the crystallinity of both (0002) and (10bar{1} 2) planes in the GaN layers, it also provides a sizeable reduction in dislocation density of GaN. Furthermore, the lower buffer thickness leads to a good quality surface with an rms roughness of 0.30 nm and a dark spot density of 4.0 × 108 cm-2. The optical and transport properties of the AlInN/AlN/GaN structure with the relatively thin buffer are compatible with the enhancement in its structural quality, as verified by XRD and AFM results.

  17. Characterization of AlInN/AlN/GaN Heterostructures with Different AlN Buffer Thickness

    NASA Astrophysics Data System (ADS)

    Çörekçi, S.; Dugan, S.; Öztürk, M. K.; Çetin, S. Ş.; Çakmak, M.; Özçelik, S.; Özbay, E.

    2016-07-01

    Two AlInN/AlN/GaN heterostructures with 280-nm- and 400-nm-thick AlN buffer grown on sapphire substrates by metal-organic chemical vapor deposition (MOCVD) have been investigated by x-ray diffraction (XRD), atomic force microscopy (AFM), photoluminescence (PL) and Hall-effect measurements. The symmetric (0002) plane with respect to the asymmetric (10bar{1}2) plane in the 280-nm-thick AlN buffer has a higher crystal quality, as opposed to the 400-nm-thick buffer. The thinner buffer improves the crystallinity of both (0002) and (10bar{1}2) planes in the GaN layers, it also provides a sizeable reduction in dislocation density of GaN. Furthermore, the lower buffer thickness leads to a good quality surface with an rms roughness of 0.30 nm and a dark spot density of 4.0 × 108 cm-2. The optical and transport properties of the AlInN/AlN/GaN structure with the relatively thin buffer are compatible with the enhancement in its structural quality, as verified by XRD and AFM results.

  18. Diffusion at the Al/Al oxide interface during electromigration in wide lines

    NASA Astrophysics Data System (ADS)

    Augur, R. A.; Wolters, R. A. M.; Schmidt, W.; Dirks, A. G.; Kordić, S.

    1996-03-01

    Significant large-scale modification of the surface of Al-Si conductors was observed, due to electromigration in wide lines and under low stress conditions. After electromigration stressing the Al layers showed local thickness variations, i.e., damage by thinning. The mechanism underlying this damage causes substantial metal transport. Nevertheless, damage by thinning has received little attention in the past. Thinning was observed: (1) in a number of different alloys (Al-Si, Al-Cu, Al-Si-V, and Al-Si-V-Pd), (2) with a number of different underlayers [SiO2, W-Ti (no vacuum break after Al deposition) and W-Ti (oxidized surface before Al deposition)], (3) over an extended temperature range, (4) over a range of current density, and (5) in structures with and without passivation. The results show that thinning is a general phenomenon. An activation energy of approximately 0.5 eV was determined for the temperature dependence of a combined mechanism of concurrent thinning plus voiding in Al99Si1. Several alternatives are examined to explain the observations, namely mass movement along dislocations, Al bulk diffusion, and diffusion at the interface between the Al and its oxide. It is shown that diffusion at the Al/Al oxide interface most probably plays an important role in the damage mechanism, even under stress conditions where grain boundary diffusion is traditionally thought to dominate. Results also showed that alloying of Al with Pd can reduce the effects of damage by thinning.

  19. Electroforming and Ohmic contacts in Al-Al2O3-Ag diodes

    NASA Astrophysics Data System (ADS)

    Hickmott, T. W.

    2012-03-01

    Electroforming of metal-insulator-metal (MIM) diodes is a non-destructive dielectric breakdown process that changes the diode from its initial high resistance state (HRS) to a low resistance state (LRS). After electroforming, resistance switching memories (RSMs) use voltages to switch from HRS to LRS and back. Many MIM combinations are proposed for use in RSMs. In many cases conduction in the LRS is nearly temperature independent at low temperatures; an Ohmic contact with a barrier to electron injection of ˜0 eV results from electroforming. Electroforming of Al-Al2O3-Ag diodes with amorphous anodic Al2O3 thicknesses between 12 and 41 nm has been studied. Two anodizing electrolytes have been used; 0.1 M ammonium pentaborate (bor-H2O) and a solution of 0.1 M of ammonium pentaborate per liter of ethylene glycol (bor-gly). Polarization of Al2O3 and negative charge in Al2O3 are much larger when Al2O3 is formed in bor-H2O solution than when Al is anodized in bor-gly solution. Electroforming of Al-Al2O3-Ag diodes results in an Ohmic contact at the Al-Al2O3 interface, voltage-controlled negative resistance (VCNR) in the current-voltage (I-V) characteristics, electroluminescence (EL), and electron emission into vacuum (EM) from filamentary conducting channels. Two distinct modes of electroforming occur for Al-Al2O3-Ag diodes. α-forming occurs for 2.5 V ≲ VS ≲ 5 V, where VS is the applied voltage. It is characterized by an abrupt current jump with the simultaneous appearance of EL and EM. β-forming occurs for VS ≳ 7 V. I-V curves, EL, and EM develop gradually and are smaller than for α-forming. Electroforming occurs more readily for diodes with Al2O3 formed in bor-H2O that have greater defect densities. Fully developed I-V curves have similar VCNR, EL, and EM after α-forming or β-forming. A model is proposed in which excited states of F-centers, oxygen vacancies in amorphous anodic Al2O3, form defect conduction bands. Electroforming that results in an Ohmic

  20. Stem Cells Deemed Safe for ALS Patients

    MedlinePlus

    ... page: https://medlineplus.gov/news/fullstory_159627.html Stem Cells Deemed Safe for ALS Patients But further research ... June 29, 2016 (HealthDay News) -- Scientists report that stem cell therapy appears to be safe for people with ...

  1. Pesticides Linked to Raised Risk of ALS

    MedlinePlus

    ... nlm.nih.gov/medlineplus/news/fullstory_158737.html Pesticides Linked to Raised Risk of ALS One toxin ... MONDAY, May 9, 2016 (HealthDay News) -- Exposure to pesticides and other chemicals may increase the risk for ...

  2. Stem Cells Deemed Safe for ALS Patients

    MedlinePlus

    ... nlm.nih.gov/medlineplus/news/fullstory_159627.html Stem Cells Deemed Safe for ALS Patients But further ... June 29, 2016 (HealthDay News) -- Scientists report that stem cell therapy appears to be safe for people ...

  3. ALS and Oxidative Stress: The Neurovascular Scenario

    PubMed Central

    Thakur, Keshav; Gupta, Pawan Kumar

    2013-01-01

    Oxidative stress and angiogenic factors have been placed as the prime focus of scientific investigations after an establishment of link between vascular endothelial growth factor promoter (VEGF), hypoxia, and amyotrophic lateral sclerosis (ALS) pathogenesis. Deletion of the hypoxia-response element in the vascular endothelial growth factor promoter and mutant superoxide dismutase 1 (SOD1) which are characterised by atrophy and muscle weakness resulted in phenotype resembling human ALS in mice. This results in lower motor neurodegeneration thus establishing an important link between motor neuron degeneration, vasculature, and angiogenic molecules. In this review, we have presented human, animal, and in vitro studies which suggest that molecules like VEGF have a therapeutic, diagnostic, and prognostic potential in ALS. Involvement of vascular growth factors and hypoxia response elements also highlights the converging role of oxidative stress and neurovascular network for understanding and treatment of various neurodegenerative disorders like ALS. PMID:24367722

  4. Glial cells in ALS: the missing link?

    PubMed

    Raibon, Elsa; Todd, Lisa Marie; Möller, Thomas

    2008-08-01

    Amyotrophic lateral sclerosis (ALS) was initially known as Charcot's sclerosis, named after the French neurobiologist and physician Jean-Martin Charcot who first described this type of muscular atrophy in the early nineteenth century. In the United States, ALS became widely known as Lou Gehrig's disease after the famous baseball player who succumbed to the disease in the late 1930s. Currently, ALS is the most common motor neuron disease, with a worldwide incidence of 8 cases per 100,000 population per year. Familial forms constitute approximately 5% to 10% of all cases. Onset increases with age, with a peak in the seventh decade and a slight preponderance (relative risk, 1.3-1.5) among men compared with women. Rapid progression of motor neuron loss leads to death an average of 3 to 5 years after symptom onset. The cause of ALS remains unknown and there is still no curative therapy. PMID:18625409

  5. Thermal Conductivity of Al-Salt Composites

    NASA Astrophysics Data System (ADS)

    Li, Peng; Zhang, Mei; Wang, Lijun; Seetharaman, Seshadri

    2015-11-01

    With a view to examine the possibility of estimating the content of entrapped metallic aluminium in the salt cake from aluminium remelting, the thermal diffusivity of reference composites of KCl-NaCl-Al was measured as a function of aluminium metal content at room temperature. The thermal conductivity of the reference composites was found to increase with the metallic Al content. The lumped parameter model approach was carried out to discuss the influence of different geometry arrangements of each phase, viz. air, salts and metallic aluminium on the thermal conductivity. Application of the present results to industrial samples indicates that factors such as the interfacial condition of metallic Al particles have to be considered in order to estimate the amount of entrapped Al in the salt cake.

  6. ALS: Recent Developments from Genetics Studies.

    PubMed

    Therrien, Martine; Dion, Patrick A; Rouleau, Guy A

    2016-06-01

    Amyotrophic lateral sclerosis (ALS) is a fatal disorder that is characterized by a progressive degeneration of the upper and lower motor neurons. Most cases appear to be sporadic, but 5-10 % of cases have a family history of the disease. High-throughput DNA sequencing and related genomic capture tools are methodological advances which have rapidly contributed to an acceleration in the discovery of genetic risk factors for both familial and sporadic ALS. It is interesting to note that as the number of ALS genes grows, many of the proteins they encode are in shared intracellular processes. This review will summarize some of the recent advances and gene discovery made in ALS. PMID:27113253

  7. Pesticides Linked to Raised Risk of ALS

    MedlinePlus

    ... page: https://medlineplus.gov/news/fullstory_158737.html Pesticides Linked to Raised Risk of ALS One toxin ... MONDAY, May 9, 2016 (HealthDay News) -- Exposure to pesticides and other chemicals may increase the risk for ...

  8. The properties of (2Fo - Fc) and (Fo - Fc) electron-density maps at medium-to-high resolutions.

    PubMed

    Minichino, A; Habash, J; Raftery, J; Helliwell, J R

    2003-05-01

    This paper reports on the efficacy of (F(o) - F(c)) versus (2F(o) - F(c)) electron-density maps at 3.2 A resolution. Firstly, a study is reported of a simple truncation at 2.3 and 3.2 A of the 1.6 A resolution crystal structure of concanavalin A at room temperature [Emmerich et al. (1994), Acta Cryst. D50, 749-756] with 149 known bound water molecules. Secondly, the concanavalin A 1.6 A resolution model was re-refined but with the data truncated to 3.2 A. In a similar evaluation, these procedures were repeated for the apocrustacyanin A1 cryotemperature 1.4 A resolution model [Cianci et al. (2001), Acta Cryst. D57, 1219-1229]. Maps at 1.4, 2.3 and 3.2 A resolutions were first generated and the structure was then re-refined at 3.2 A and additionally at 2.3 A resolution. The results on concanavalin A show that the number of bound water molecules that are resolved decreases by two thirds from 1.6 to 3.2 A, but that key structural waters, for example at the transition metal and the calcium ion, are still resolved in the (F(o) - F(c)) map but not in the (2F(o) - F(c)) map. For apocrustacyanin A1, the results with these two difference maps were less clear-cut. Two key structural bound waters (w93 and w105) were selected that had been previously identified in beta-crustacyanin [Cianci et al. (2002), Proc. Natl Acad. Sci. USA, 99, 9795-9800] in protein-carotenoid interactions. The behaviour of w93 is similar to that of concanavalin A key waters, but that of w105 is not. These behaviours were therefore explored in finer resolution increments, namely 2.9, 2.7 and 2.5 A. Finally, further tests on "real" data sets for peanut lectin and concanavalin A at medium resolution confirm these map properties, namely that an (F(o) - F(c)) difference electron-density map is more effective than a (2F(o) - F(c)) map in showing bound water structure at lower resolutions ( approximately 3.2 A). This result is important since a growing number of protein crystal structure studies are concerned

  9. 17th Annual ALS Users' Association Meeting

    SciTech Connect

    Robinson, Art; Tamura, Lori

    2004-11-29

    It's not exactly Russian roulette, but scheduling October events outdoors is not risk-free, even in usually sunny California. An overflow crowd of more than 400 registered users, ALS staff, and vendors enjoyed a full indoor program featuring science highlights and workshops spread over two and a half days from October 18 to October 20. However, a major storm, heralding the onset of the San Francisco Bay Area rainy season, posed a few weather challenges for the events on the ALS patio.

  10. Itinerant antiferromagnetism of TiAl alloys

    NASA Astrophysics Data System (ADS)

    Petrişor, T.; Pop, I.; Giurgiu, A.; Farbaş, N.

    1986-06-01

    Magnetic susceptibility measurements of TiAl alloys are reported. Aluminium, by alloying, acts on the Néel temperature of pure titanium giving rise to a complicated phase diagram. A theoretical model, based on the itinerant antiferromagnetism model of chromium is proposed in order to explain the magnetic phase diagram of TiAl alloys. The experimental and theoretical magnetic phase diagram are in good agreement.

  11. Magnetism of Al-Mn quasicrystals

    SciTech Connect

    Liu, F.; Khanna, S.N.; Magaud, L.; Jena, P. ); de Coulon, V.; Reuse, F. ); Jaswal, S.S.; He, X. ); Cyrot-Lackman, F. )

    1993-07-01

    The effect of symmetry and concentration of Mn on the magnetism of Al-Mn quasicrystals has been investigated through self-consistent density-functional calculations using molecular clusters and supercell band-structure schemes. A single Mn atom surrounded by 54 Al atoms in an icosahedral or a cuboctahedral structure is found to be nonmagnetic. However, as the Mn concentration is increased, moments develop on Mn sites whose magnitude and coupling depend on their location.

  12. Next-generation sequencing of 28 ALS-related genes in a Japanese ALS cohort.

    PubMed

    Nakamura, Ryoichi; Sone, Jun; Atsuta, Naoki; Tohnai, Genki; Watanabe, Hazuki; Yokoi, Daichi; Nakatochi, Masahiro; Watanabe, Hirohisa; Ito, Mizuki; Senda, Jo; Katsuno, Masahisa; Tanaka, Fumiaki; Li, Yuanzhe; Izumi, Yuishin; Morita, Mitsuya; Taniguchi, Akira; Kano, Osamu; Oda, Masaya; Kuwabara, Satoshi; Abe, Koji; Aiba, Ikuko; Okamoto, Koichi; Mizoguchi, Kouichi; Hasegawa, Kazuko; Aoki, Masashi; Hattori, Nobutaka; Tsuji, Shoji; Nakashima, Kenji; Kaji, Ryuji; Sobue, Gen

    2016-03-01

    We investigated the frequency and contribution of variants of the 28 known amyotrophic lateral sclerosis (ALS)-related genes in Japanese ALS patients. We designed a multiplex, polymerase chain reaction-based primer panel to amplify the coding regions of the 28 ALS-related genes and sequenced DNA samples from 257 Japanese ALS patients using an Ion Torrent PGM sequencer. We also performed exome sequencing and identified variants of the 28 genes in an additional 251 ALS patients using an Illumina HiSeq 2000 platform. We identified the known ALS pathogenic variants and predicted the functional properties of novel nonsynonymous variants in silico. These variants were confirmed by Sanger sequencing. Known pathogenic variants were identified in 19 (48.7%) of the 39 familial ALS patients and 14 (3.0%) of the 469 sporadic ALS patients. Thirty-two sporadic ALS patients (6.8%) harbored 1 or 2 novel nonsynonymous variants of ALS-related genes that might be deleterious. This study reports the first extensive genetic screening of Japanese ALS patients. These findings are useful for developing genetic screening and counseling strategies for such patients. PMID:26742954

  13. Metastability in the MgAl2O4-Al2O3 System

    DOE PAGESBeta

    Wilkerson, Kelley R.; Smith, Jeffrey D.; Hemrick, James G.

    2014-07-22

    Aluminum oxide must take a spinel form ( γ-Al2O3) at elevated temperatures in order for extensive solid solution to form between MgAl2O4 and α-Al2O3. The solvus line between MgAl2O4 and Al2O3 has been defined at 79.6 wt% Al2O3 at 1500°C, 83.0 wt% Al2O3 at 1600°C, and 86.5 wt% Al2O3 at 1700°C. A metastable region has been defined at temperatures up to 1700°C which could have significant implications for material processing and properties. Additionally, initial processing could have major implications on final chemistry. The spinel solid solution region has been extended to form an infinite solid solution with Al2O3 at elevatedmore » temperatures. A minimum in melting at 1975°C and a chemistry of 96 wt% Al2O3 rather than a eutectic is present, resulting in no eutectic crystal formation during solidification.« less

  14. Excitotoxicity in ALS: Overstimulation, or overreaction?

    PubMed

    King, Anna E; Woodhouse, Adele; Kirkcaldie, Matthew T K; Vickers, James C

    2016-01-01

    Amyotrophic lateral sclerosis (ALS) is an adult onset neurodegenerative disease that results in motor dysfunction and death, generally from respiratory failure. 90% of ALS cases are sporadic with no known cause. Familial cases have been linked with mutations in several disparate classes of genes, including those involved in DNA/RNA metabolism, protein misfolding, oxidative stress and the cytoskeleton, leading to the proposition that ALS could be a multi-factorial disease. However, alterations in excitability have been reported in all types of ALS cases, and may be a common disease mechanism predisposing neurons to degeneration. Excitotoxicity has long been suspected as a mediator in the disease process, and may arise from changes in synaptic inputs, or alterations in the excitability of the neurons being stimulated. Although the glutamatergic system is widely recognised as a therapeutic avenue with the potential to extend lifespan and delay disease onset, the causes of altered excitability in ALS are currently unclear and warrant further investigation. This article reviews current evidence of alterations to excitatory and inhibitory signalling in the cortex and spinal cord, and in the intrinsic excitability of motor neurons, in ALS. PMID:26584004

  15. Clinical trials for neuroprotection in ALS.

    PubMed

    Siciliano, G; Carlesi, C; Pasquali, L; Piazza, S; Pietracupa, S; Fornai, F; Ruggieri, S; Murri, L

    2010-07-01

    Owing to uncertainty on the pathogenic mechanisms underlying motor neuron degeneration in amyotrophic lateral sclerosis (ALS) riluzole remains the only available therapy, with only marginal effects on disease survival. Here we review some of the recent advances in the search for disease-modifying drugs for ALS based on their putative neuroprotective effetcs. A number of more or less established agents have recently been investigated also in ALS for their potential role in neuroprotection and relying on antiglutamatergic, antioxidant or antiapoptotic strategies. Among them Talampanel, beta-lactam antibiotics, Coenzyme Q10, and minocycline have been investigated. Progress has also been made in exploiting growth factors for the treatment of ALS, partly due to advances in developing effective delivery systems to the central nervous system. A number of new therapies have also been identified, including a novel class of compounds, such as heat-shock protein co-inducers, which upregulate cell stress responses, and agents promoting autophagy and mitochondriogenesis, such as lithium and rapamycin. More recently, alterations of mRNA processing were described as a pathogenic mechanism in genetically defined forms of ALS, as those related to TDP-43 and FUS-TLS gene mutations. This knowledge is expected to improve our understanding of the pathogenetic mechanism in ALS and developing more effective therapies. PMID:20406180

  16. Modeling of precipitation in Al alloys

    SciTech Connect

    Asta, M.; Foiles, S.M.; Wolfer, W.G.

    1996-10-01

    Objective was the development of a computational model of precipitation from a supersaturated alloy solid solution. The model is based on the formalism of chemical-reaction-rate theory combined with classical descriptions of precipitate thermodynamic properties and a mean-field treatment of diffusion-limited growht and coarsening. For the case of precipitation of Al{sub 3}Sc in supersaturated Al-Sc alloys, it is demonstrated how the model can be used to calculate number densities and size distributions of precipitates as a function of aging time and temperature, including effects of continuous cooling and thermally generated point defects. Application of the model to a specific alloy system requires knowledge of diffusion data, point defect energetics, and thermodynamic properties for bulk phases and interphase interfaces. For interfaces and point defects, thermodynamic data can be difficult to measure and reliable values of defect free energies are often unavailable. For this reason, part of the efforts were devoted to applying semiempirical and first-principles atomistic techniques to the calculation of interfacial and point-defect thermodynamic properties. This report discusses applications for interphase interfaces in the Al-Ag, Al-Sc, and Al-Li alloy systems. We also describe atomistic work aimed at understanding the energetics of vacancy clusters in Al. These clusters serve as sinks for isolated vacancies during aging and their growth can lead to more complex defects, such as dislocation loops, that act as heterogeneous nucleation sites.

  17. How common are ALS plateaus and reversals?

    PubMed Central

    Vaughan, Timothy; Wicks, Paul; Heywood, Jamie; Sinani, Ervin; Selsov, Roger; Macklin, Eric A.; Schoenfeld, David; Cudkowicz, Merit; Sherman, Alex

    2016-01-01

    Objective: To determine the frequency of amyotrophic lateral sclerosis (ALS) plateaus and reversals in the Pooled Resource Open-Access ALS Clinical Trials (PRO-ACT) database. Methods: We analyzed Amyotrophic Lateral Sclerosis Functional Rating Scale (ALSFRS) and ALSFRS–revised (ALSFRS-R) data from PRO-ACT participants. The frequencies of participants experiencing plateaus (periods where scores did not change) were calculated over 6-, 12-, and 18-month epochs. The percentage of participants ever experiencing reversals (periods where scores improved) of different lengths were also calculated and plotted. Results: Over 6 months, 25% of 3,132 participants did not decline. Over 12 months, 16% of 2,105 participants did not decline. Over 18 months, 7% of 1,218 participants did not decline. Small ALS reversals were also common, especially over shorter follow-up intervals; 14% of 1,343 participants had a 180-day interval where their ALSFRS-R slope was greater than zero. Fewer than 1% of participants ever experienced improvements of 4 or more ALSFRS-R points lasting at least 12 months. Conclusion: ALS plateaus and small reversals are common, especially over brief intervals. In light of these data, stable disease, especially for a short period of time, should not be interpreted as an ALS treatment effect. Large sustained ALS reversals, on the other hand, are rare, potentially important, and warrant further study. PMID:26658909

  18. Scattering induced by Al segregation in AlGaN/GaN heterostructures

    SciTech Connect

    Liu, Xiwen; Lu, Yanwu; Ji, Dong

    2015-08-17

    The effect of Al segregation near dislocations on the mobility of two-dimensional electron gas in AlGaN/GaN heterostructure-based high-electron-mobility transistors was investigated. Exponentially varied composition fluctuation was effective in describing Al segregation near dislocations when calculating scattering behavior. Mobility, which was limited by Al segregation surrounding dislocation lines, was calculated to be in the order of 10{sup 3} cm{sup 2}/Vs to 10{sup 6} cm{sup 2}/Vs. Results indicated that the mobility in AlGaN/GaN heterojunction was enhanced upon the reduction of dislocation density at low temperature. This study contributes to generating higher electron mobility in AlGaN/GaN heterojunctions.

  19. Thermal Properties in the MgAl2O4-Al2O3 System

    SciTech Connect

    Wilkerson, Dr. Kelley R.; Smith, Jeffrey D; Hemrick, James Gordon

    2013-01-01

    Compositional effects on the thermal diffusivity in the MgAl2O4-Al2O3 system were studied. The lowest thermal diffusivity, 0.0258 +/-5% cm/s, was measured between 79.8 and 83.9 wt% Al2O3 quenched from various temperatures between 1500 and 1700C. All of the chemistries in this range extend past the solvus, but still form a singe super-saturated spinel solid solution, regardless of quenching tempeature. A super-saturated metastable solid solution region was observed at 1500, 1600, and 1700C extending to 83.9, 85.2, and 87.1 wt% Al2O3, respectively. Beyond 83.9% Al2O3 a significant increase in thermal diffusivity, 11.7%, was observed and its attributed to precipiation of Al2O3 through spinodal decomposition.

  20. Effects of Al(III) and nano-Al13 species on malate dehydrogenase activity.

    PubMed

    Yang, Xiaodi; Cai, Ling; Peng, Yu; Li, Huihui; Chen, Rong Fu; Shen, Ren Fang

    2011-01-01

    The effects of different aluminum species on malate dehydrogenase (MDH) activity were investigated by monitoring amperometric i-t curves for the oxidation of NADH at low overpotential using a functionalized multi-wall nanotube (MWNT) modified glass carbon electrode (GCE). The results showed that Al(III) and Al(13) can activate the enzymatic activity of MDH, and the activation reaches maximum levels as the Al(III) and Al(13) concentration increase. Our study also found that the effects of Al(III) and Al(13) on the activity of MDH depended on the pH value and aluminum speciation. Electrochemical and circular dichroism spectra methods were applied to study the effects of nano-sized aluminum compounds on biomolecules. PMID:22163924

  1. TEM studies of oxidized NiAl and Ni3Al cross sections

    NASA Technical Reports Server (NTRS)

    Doychak, J.; Ruhle, M.

    1989-01-01

    Cross sections of oxide scale/(Ni-Al) intermetallics were prepared by a new method and studied using primarily TEM. The cross sections were prepared by encasing an oxidized metal specimen sandwich in a low-melting-temperature zinc alloy. Observations of oxidized zirconium-doped beta-NiAl cross sections revealed crystallographic voids beneath an adherent Al2O3 scale. The oxide-metal interface was incoherent, but a high dislocation density in the metal near the interface suggested that a large tensile stress was induced by the attached oxide scale. A duplex Al2O3-NiAl2O4 scale formed on zirconium-doped and zirconium/boron-doped gamma-prime-Ni3Al alloys. Additional results are presented involving oxidation mechanisms and oxide-metal interface structures.

  2. Microscopic Properties of Long-Period Ordering in Al-Rich TiAl Alloys

    NASA Astrophysics Data System (ADS)

    Hata, S.; Nakano, T.; Kuwano, N.; Itakura, M.; Matsumura, S.; Umakoshi, Y.

    2008-07-01

    The ordering mechanism of long-period superstructures (LPSs) in Al-rich TiAl alloys has been investigated by high-resolution transmission electron microscopy (HRTEM). The LPSs are classified in terms of arrangements of base clusters with different shapes and compositions formed in Ti-rich (002) layers of L10-TiAl matrix: square Ti4Al, fat rhombus Ti3Al, and lean rhombus Ti2Al type clusters. The HRTEM observations revealed that antiphase boundaries of long-range-ordered LPS domains and short-range-ordered microdomains are constructed by various space-filling arrangements of the base clusters. Such a microscopic property characterized by the base clusters and their arrangements is markedly analogous to that of the {left< {{text{1,1/2,0}}} rightrangle } * special-point ordering alloys such as Ni-Mo.

  3. Influence of RCS on Al-3Mg and Al-3Mg-0.25Sc alloys

    NASA Astrophysics Data System (ADS)

    Bhovi, Prabhakar M.; Venkateswarlu, K.

    2016-02-01

    An influence of repetitive corrugation and straightening (RCS) was studied on Al-3Mg and Al-3Mg-0.25Sc alloys up to eight passes. Each pass consist of a corrugation and followed by straightening. This has resulted in introducing large plastic strain in sample, and thus led to formation of sub-micron grain sizes with high angle grain boundaries. These sub grain formation was eventually resulted in improved mechanical properties. The average grain size of Al-3Mg-0.25Sc alloy after 8 passes yielded to ∼0.6pm. Microhardness, strength properties were evaluated and it suggests that RCS was responsible for high hardness values as compared to the as cast samples. The microhardness values after RCS were 105 HV and 130 HV for Al-3Mg and Al-3Mg-0.25Sc alloys, respectively. Similarly, ∼ 40% improvement in tensile strength from 240 MPa to 370 MPa was observed for Al- 3Mg-0.25Sc alloy after RCS process.Al-3Mg and Al-3Mg-0.25Scalloys exhibited maximum strength of 220 MPa and 370 MPa, respectively. It is concluded that RCS process has a strong influence on Al- 3Mg and Al-3Mg-0.25Sc alloys for obtaining improved mechanical properties and grain refinement. In addition to RCS process and presence of AESc precipitates in Al-3Mg-0.25Sc alloy had a significant role in grain refinement and improved mechanical properties as compared to Al-3Mg alloy.

  4. Remarks on Peinado et al.'s Analysis of J3Gen.

    PubMed

    Garcia-Alfaro, Joaquin; Herrera-Joancomartí, Jordi; Melià-Seguí, Joan

    2015-01-01

    Peinado et al. analyzed the security of the J3Gen pseudorandom number generator proposed by Melià-Seguí et al., and claimed weaknesses regarding its security properties. They also presented a deterministic attack based on the decimation of the J3Gen output sequences. We show that the assumptions made by Peinado et al. are not correct and that the proposed deterministic attack against J3Gen does not hold in practice. PMID:25781510

  5. Two-Phase (TiAl+TiCrAl) Coating Alloys for Titanium Aluminides

    NASA Technical Reports Server (NTRS)

    Brady, Michael P. (Inventor); Smialek, James L. (Inventor); Brindley, William J. (Inventor)

    1998-01-01

    A coating for protecting titanium aluminide alloys, including the TiAl gamma + Ti3Al (alpha(sub 2)) class, from oxidative attack and interstitial embrittlement at temperatures up to at least 1000 C. is disclosed. This protective coating consists essentially of titanium, aluminum. and chromium in the following approximate atomic ratio: Ti(41.5-34.5)Al(49-53)Cr(9.5-12.5)

  6. Another Security Improvement over the Lin et al.'s E-voting Scheme

    NASA Astrophysics Data System (ADS)

    Asaar, Maryam Rajabzadeh; Mohajeri, Javad; Salmasizadeh, Mahmoud

    In 2003, Lin et al. have proposed an electronic voting scheme which can be utilized in large-scale elections, and claimed it detects double voting. But in this paper, by presenting an attack, we show that voters can successfully vote more than once without being detected. Hence, we propose a new modified scheme based on the Lin et al.'s scheme with the same efficiency to solve this weakness and analyze its security.

  7. Excited states of 26Al studied via the reaction 27Al(d,t)

    NASA Astrophysics Data System (ADS)

    Srivastava, Vishal; Bhattacharya, C.; Rana, T. K.; Manna, S.; Kundu, S.; Bhattacharya, S.; Banerjee, K.; Roy, P.; Pandey, R.; Mukherjee, G.; Ghosh, T. K.; Meena, J. K.; Roy, T.; Chaudhuri, A.; Sinha, M.; Saha, A. K.; Asgar, Md. A.; Dey, A.; Roy, Subinit; Moin Shaikh, Md.

    2016-05-01

    The reaction 27Al(d,t) at 25 MeV was utilized to study the excited states of 26Al. The angular distributions of the observed excited states of 26Al were analyzed with zero range distorted wave Born approximation as well as by incorporating finite range correction parameters to extract spectroscopic factors. The two sets of extracted spectroscopic factors were compared with each other to see the effect of using finite range correction in the transfer form factor.

  8. Temperature dependence diode parameters studies of Al/CuPc/n-Si/Al structure

    NASA Astrophysics Data System (ADS)

    Kumar, Ratnesh; Kaur, Ramneek; Sharma, Mamta; Kaur, Maninder; Tripathi, S. K.

    2015-08-01

    This paper presents the fabrication of Al/CuPc/n-Si/Al metal-organic-semiconductor diode. The copper phthalocyanine as organic layer is deposited on Si substrate by thermal evaporation technique. The temperature dependent current-voltage measurements are performed on Al/CuPc/n-Si structure. The important diode parameters i.e. the barrier height and ideality factor have been calculated. The temperature dependence of barrier height and ideality factor has been studied.

  9. The lowest ionization potentials of Al2

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Barnes, Leslie A.; Taylor, Peter R.

    1988-01-01

    Potential curves for the lowest two electronic states (X 2 sigma g + and A 2 pi u) of Al2(+) were computed using complete active space SCF/multireference CI wave functions and large Gaussian basis sets. The lowest observable vertical ionization potential (to Al2(+) X 2 sigma g +) of the Al2 X 3 pi u ground state is calculated to occur around 6.1 eV, in excellent agreement with the experimental range of 6.0 to 6.42 eV obtained in recent cluster ionization studies by Cox and co-workers. The second vertical ionization potential (to Al2(+) A 2 pi u) occurs near 6.4 eV, also within the experimental range. The adiabatic IP of 5.90 eV is in good agreement with the value of 5.8 to 6.1 eV deduced by Hanley and co-workers from the difference in thresholds between collision induced dissociation processes of Al3(+). The computed IP values are somewhat larger than those deduced from branching ratios in cluster fragmentation experiments by Jarrold and co-workers. The observation of an ionization threshold below 6.42 eV is shown to be incompatible with an Al2 ground electronic state assignment of 3 sigma g -, but the separation between the two lowest states of Al2 is so small that it is likely that both are populated in the experiments, so that this does not provide unambiguous support for the recent theoretical assignment of the ground state as 3 pi u.

  10. The new structure type Gd3Ni7Al14.

    PubMed

    Pukas, Svitlana; Gladyshevskii, Roman

    2015-11-01

    The crystal structure of Gd3Ni7Al14 (trigadolinium heptanickel tetradecaaluminide) belongs to a family of two-layer structures and can be described as an assembly of interpenetrating centred straight prisms. For the Ni atoms, trigonal prisms (Al4Gd2 and Al6) are observed, the Al atoms are inside tetragonal (Ni2Al2Gd4, Ni2Al4Gd2, Al4Gd4, Ni4Al4 and Al8) and pentagonal (Ni4Al6 and Al10) prisms, while the Gd atoms are at the centres of pentagonal (Ni4Al6) and hexagonal (Ni4Al8) prisms. In each case, the true coordination polyhedron is a capped prism, also including atoms from the same layer. The structural features of Gd3Ni7Al14 are similar to those of the intermetallides PrNi2Al3 and ZrNiAl. In all these structures, Ni-centred trigonal prisms form infinite columns via common triangular faces. The columns share prism edges and form a three-dimensional framework with six-membered rings in the (001) plane in the case of the PrNi2Al3 and ZrNiAl types. In the case of Gd3Ni7Al14, six-membered rings are also observed, but only two-thirds of the rings are interconnected via prism edges. PMID:26524174

  11. Long range order and vacancy properties in Al-rich Fe{sub 3}Al and Fe{sub 3}Al(Cr) alloys

    SciTech Connect

    Kim, S.M.; Morris, D.G.

    1998-05-01

    Neutron powder diffraction measurements have been carried out in situ from room temperature to about 100 C in Fe28Al (28 at.% Al), Fe32.5Al (32.5 at.% Al) and Fe28Al15Cr (28 at.% Al, 5 at.% Cr) alloys. X-ray diffraction and TEM studies provided supporting information. The data were analyzed to obtain information about the temperature dependence of the DO{sub 3} and B2 long range order parameters, the location of the Cr atoms and their effect on the ordering energies, and on the vacancy formation and migration properties in Fe28Al and Fe32.5Al alloys. The location of the ternary alloying addition in DO{sub 3} and B2 ordered Al-rich Fe{sub 3}Al is shown to be consistent with considerations of interatomic bond energies.

  12. Strain Rates and Grain Growth in Al 5754 and Al 6061 Friction Stir Spot Welds

    NASA Astrophysics Data System (ADS)

    Gerlich, A.; Yamamoto, M.; North, T. H.

    2007-06-01

    The stir zone temperature and microstructures are compared in friction stir spot welds produced in Al 5754 and Al 6061 alloys. Electron backscattered diffraction was used to determine the relationship between tool rotation speed during welding and final stir zone grain size. Comparison of the grain sizes in rapidly quenched welds with those in air-cooled joints confirmed that grain growth occurred only in Al 6061 spot welds. There was no evidence of abnormal grain growth in the stir zones of Al 6061 welds; the final grain size could be represented using an Arrhenius equation. The strain rates during welding were determined by incorporating the stir zone temperature and average subgrain sizes in quenched spot welds in the Zener-Hollomon relation. When the tool rotation speed increased from 750 to 3000 RPM, the strain rate values ranged from 180 to 497 s-1 in Al 5754 spot welds and from 55 to 395 s-1 in Al 6061 spot welds. It is suggested that a no-slip boundary condition may be appropriate during numerical modeling of Al 5754 and 6061 friction stir spot welding. This is not the case during Al 7075, Al 2024, and Mg-alloy AZ91 spot welding because spontaneous melting facilitates slippage at the tool contact interface.

  13. High temperature deformation of NiAl and CoAl

    NASA Technical Reports Server (NTRS)

    Nix, W. D.

    1982-01-01

    The high temperature mechanical properties of the aluminides are reviewed with respect to their potential as high temperature structural materials. It is shown that NiAl and CoAl are substantially stronger than the pure metals Ni and Co at high temperatures and approach the strength of some superalloys, particularly when those superalloys are tested in "weak" directions. The factors that limit and control the high temperature strengths of NiAl and CoAl are examined to provide a basis for the development of intermetallic alloys of this type.

  14. Small Al clusters. II - Structure and binding in Al(n) (n = 2-6, 13)

    NASA Technical Reports Server (NTRS)

    Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Halicioglu, Timur

    1987-01-01

    The structure and stability of aluminum clusters containing up to six atoms have been studied using correlated wave functions and extended basis sets. The lowest energy structure is planar for Al4 and Al5, but three dimensional for Al6. The icosahedral, hcp, fcc, and two planar structures of Al13 were considered at the SCF level. The lowest energy structure is the icosahedron, but the planar structures are fairly low lying even in this case. A simplified description using two- and three-body interaction potentials is found to agree well with the ab initio structures and binding energies.

  15. Synthesis of core-shell AlOOH hollow nanospheres by reacting Al nanoparticles with water.

    PubMed

    Lozhkomoev, A S; Glazkova, E A; Bakina, O V; Lerner, M I; Gotman, I; Gutmanas, E Y; Kazantsev, S O; Psakhie, S G

    2016-05-20

    A novel route for the synthesis of boehmite nanospheres with a hollow core and the shell composed of highly crumpled AlOOH nanosheets by oxidizing Al nanopowder in pure water under mild processing conditions is described. The stepwise events of Al transformation into boehmite are followed by monitoring the pH in the reaction medium. A mechanism of formation of hollow AlOOH nanospheres with a well-defined shape and crystallinity is proposed which includes the hydration of the Al oxide passivation layer, local corrosion of metallic Al accompanied by hydrogen evolution, the rupture of the protective layer, the dissolution of Al from the particle interior and the deposition of AlOOH nanosheets on the outer surface. In contrast to previously reported methods of boehmite nanoparticle synthesis, the proposed method is simple, and environmentally friendly and allows the generation of hydrogen gas as a by-product. Due to their high surface area and high, slit-shaped nanoporosity, the synthesized AlOOH nanostructures hold promise for the development of more effective catalysts, adsorbents, vaccines and drug carriers. PMID:27053603

  16. HYDROGEN ADSORPTION ON β-TiAl (001) AND Ni/TiAl (001) SURFACES

    NASA Astrophysics Data System (ADS)

    Mubarak, A. A. Karim; Alelaimi, Mahmoud

    2014-04-01

    In this paper, we present first principles calculations of the energetic, electronic and magnetic properties of the variant termination of TiAl (001) and Ni/TiAl (001) surfaces with and without hydrogen atoms. The calculations have been performed within the density functional theory using full-potential linearized augmented plane wave method. The generalized gradient approximation (GGA) is utilized as the exchange-correlation energy. The octahedral site is the stable absorption site of H atom in the β-TiAl system. This absorption reduces the cohesive energy of β-TiAl system due to increase in the lattice constant. The surface energy for both TiAl (001) terminations is calculated. The stable adsorption site of H atoms on the variant termination of TiAl (001) surface is performed. The adsorption energy of hydrogen on Ti is more energetic than that on Al. The adsorption of H atom on both terminations of H/Ni/TiAl (001) is more preferable at the bridge site. The adsorption energies are enhanced on Ni atom due to the contraction between d-Ni bands and TiAl substrate band.

  17. Synthesis of core–shell AlOOH hollow nanospheres by reacting Al nanoparticles with water

    NASA Astrophysics Data System (ADS)

    Lozhkomoev, A. S.; Glazkova, E. A.; Bakina, O. V.; Lerner, M. I.; Gotman, I.; Gutmanas, E. Y.; Kazantsev, S. O.; Psakhie, S. G.

    2016-05-01

    A novel route for the synthesis of boehmite nanospheres with a hollow core and the shell composed of highly crumpled AlOOH nanosheets by oxidizing Al nanopowder in pure water under mild processing conditions is described. The stepwise events of Al transformation into boehmite are followed by monitoring the pH in the reaction medium. A mechanism of formation of hollow AlOOH nanospheres with a well-defined shape and crystallinity is proposed which includes the hydration of the Al oxide passivation layer, local corrosion of metallic Al accompanied by hydrogen evolution, the rupture of the protective layer, the dissolution of Al from the particle interior and the deposition of AlOOH nanosheets on the outer surface. In contrast to previously reported methods of boehmite nanoparticle synthesis, the proposed method is simple, and environmentally friendly and allows the generation of hydrogen gas as a by-product. Due to their high surface area and high, slit-shaped nanoporosity, the synthesized AlOOH nanostructures hold promise for the development of more effective catalysts, adsorbents, vaccines and drug carriers.

  18. AlN/IDT/AlN/Sapphire SAW Heterostructure for High-Temperature Applications.

    PubMed

    Legrani, Ouarda; Aubert, Thierry; Elmazria, Omar; Bartasyte, Ausrine; Nicolay, Pascal; Talbi, Abdelkrim; Boulet, Pascal; Ghanbaja, Jaafar; Mangin, Denis

    2016-06-01

    Recent studies have evidenced that Pt/AlN/Sapphire surface acoustic wave (SAW) devices are promising for high-temperature high-frequency applications. However, they cannot be used above 700°C in air atmosphere as the Pt interdigital transducers (IDTs) agglomerate and the AlN layer oxidizes in such conditions. In this paper, we explore the possibility to use an AlN protective overlayer to concurrently hinder these phenomena. To do so, AlN/IDT/AlN/Sapphire heterostructures undergo successive annealing steps from 800°C to 1000°C in air atmosphere. The impact of each step on the morphology, microstructure, and phase composition of AlN and Pt films is evaluated using optical microscopy, scanning and transmission electron microscopy (SEM and TEM), X-ray diffraction (XRD), and secondary ion mass spectroscopy (SIMS). Finally, acoustical performance at room temperature of both protected and unprotected SAW devices are compared, as well as the effects of annealing on these performance. These investigations show that the use of an overlayer is one possible solution to strongly hinder the Pt IDTs agglomeration up to 1000°C. Moreover, AlN/IDT/AlN/Sapphire SAW heterostructures show promising performances in terms of stability up to 800°C. At higher temperatures, the oxidation of AlN is more intense and makes it inappropriate to be used as a protective layer. PMID:27076407

  19. Microstructure and strengthening of creep-tested cryomilled NiAl-AlN

    SciTech Connect

    Garg, A.; Whittenberger, J.D.; Luton, M.J.

    1997-12-31

    The B2 intermetallic NiAl is considered to be a prime candidate material for use as very high temperature structural components in gas turbine engines. The mechanical grinding of prealloyed NiAl powder in liquid nitrogen (cryomilling) results in an intermetallic matrix composite where micron sized particle free aluminide cores (grains) are surrounded by thin mantles comprised of nanometer sized AlN particles and NiAl grains. Under high temperature, slow strain rate conditions both compressive and tensile creep testing have shown that the mechanical strength of hot extruded cryomilled NiAl approaches the levels exhibited by advanced NiAl-based single crystals and simple Ni-based superalloys. Transmission electron microscopy of cryomilled materials tested between 1,100 and 1,300 K revealed little, if any, dislocation structure within the mantle regions, while the NiAl cores contained subgrains and dislocation networks after testing at all strain rates between 10{sup {minus}4} and 10{sup {minus}8} s{sup {minus}1}. These and other microstructural observations suggest that creep strength is the result of a fine NiAl grain/subgrain size, the inability of dislocations to move through the mantle and stabilization of the microstructure by the AlN particles.

  20. Quantum chemical study of the reactions of Al, AlO and AlOH with H2O2

    NASA Astrophysics Data System (ADS)

    Sharipov, Alexander S.; Starik, Alexander M.

    2016-02-01

    Quantum chemical calculations with the use of hybrid density functional with perturbative second-order correlation and dispersion correction are carried out to study the reactions of Al, AlO and AlOH with the H2O2 molecule. The values of energy barriers are estimated by means of extrapolation to the basis set limit. The energetically favorable reaction pathways have been revealed during the examination of the potential energy surfaces. Complex character of the processes under study has been established. It has been found that the initial stages of the considered processes are barrierless. Appropriate rate constants for principal channels of the reactions under study have been estimated by using capture model and canonical variational theory. The Arrhenius approximations for these channels have been proposed for the temperature range T = 300-4000 K.

  1. Reactions of CO2 on solid and liquid Al100+.

    PubMed

    Leslie, Katheryne L; Shinholt, Deven; Jarrold, Martin F

    2013-02-14

    The reactions of CO(2) on the Al(100)(+) cluster have been investigated as a function of cluster temperature (300-1100 K) and relative kinetic energy (0.2-10 eV). Two main products are observed at low cluster temperature: Al(100)O(+) (which is believed to result from a stripping reaction) and Al(100)CO(2)(+) from complex formation. As the cluster temperature is raised, both products dissociate by loss of Al(2)O. Al(100)O(+) forms Al(98)(+), while Al(100)CO(2)(+) forms Al(98)CO(+) and Al(96)C(+). In both cases, loss of Al(2)O turns-on above the melting temperature of Al(100)(+). This presumably occurs because the overall reaction leading to the loss of Al(2)O is significantly less endothermic for the liquid cluster than for the solid. PMID:22680973

  2. Coating of a layer of Au on Al13 : The findings of icosahedral Al@Al12Au20- and Al12Au202- fullerenes using ab initio pseudopotential calculations

    NASA Astrophysics Data System (ADS)

    Kumar, Vijay

    2009-02-01

    We report results of ab initio pseudopotential calculations on the nanocoating of gold on an icosahedral Al13 cluster and the findings of icosahedrally symmetric endohedral Al@Al12Au20- and empty cage Al12Au202- compound fullerenes formed of metal atoms. Twelve Al atoms cap the pentagonal faces of a dodecahedral Au20 cage in which each Au atom has three Al atoms and three Au atoms as nearest neighbors. Mixing of Al13 and Au20 magic clusters leads to a large heat of formation of 0.55 eV/atom and high stability of the Al@Al12Au20 compound fullerene. The binding energies of Al12Au20 and Al@Al12Au20 are 3.017 and 3.007 eV/atom, respectively, which are much larger than 2.457 eV/atom for Au32 fullerene, leading to the possibility of their high abundance.

  3. Radiation damage effects in zircon

    NASA Astrophysics Data System (ADS)

    Trachenko, Kostya; Dove, Martin; Salje, Ekhard

    2002-03-01

    Zircon, ZrSiO_4, is important for geology and geochronology, and has been proposed as a host material to immobilize highly radioactive materials from dismantled weapons and nuclear waste from power stations [1]. In these applications zircon is exposed to alpha-irradiation. Computer simulations have started to be employed to simulate radiation damage in zircon [2], but the origin and microscopic mechanisms of the most important structural changes in zircon - unit cell expansion and large macroscopic swelling at higher doses, strong shear deformation of the crystalline lattice, and polymerization of SiOn units [3], remain unknown. Here, we perform the molecular dynamics simulation of highly energetic recoils in zircon. Basing on the simulation results, we propose the simple picture of the density change in the damaged region that consists of the depleted and densified matter. We find that the experimentally observed structural changes originate from the interaction of the damaged region with the surrounding crystalline lattice: the shear of the lattice around the damaged region causes shear deformation and expansion of the unit cells. The polymers of connected SiOn polyhedra are most commonly present in the densified shell at the periphery of the damaged region. [1] R C Ewing et al, J. Mater. Res. 10, 243 (1995); W J Weber et al, B E Burakov et al, in Scientific Basis for Nuclear Waste Management XIX, 25-32 and 33-40 (Plenum, New York, 1996); R C Ewing, et al in Crystalline Ceramics: Waste Forms for the Disposal of Weapons Plutonium, NATO Workshop Proceedings 65 (Academic Publishers, Dordrecht, The Netherlands, 1996). [2] B Park et al, Phys. Rev. B, 64, 174108 (1-16) (2001); J P Crocombette and D Ghaleb, J. Nucl. Mater., 295, 167 (2001); K Trachenko et al, J. Appl. Phys., 87, 7702 (2000); K Trachenko et al, J. Phys.: Cond. Matt., 13, 1947 (2001). [3] T Murakami et al, Am. Min., 76, 1510 (1991); H D Holland and D Gottfried, Acta Cryst. 8, 291 (1955).; W J Weber, J. Am

  4. Survey and alignment at the ALS

    SciTech Connect

    Krebs, G.F.; Lauritzen, T.; Thur, W.

    1995-11-01

    This paper describes survey and alignment at the Lawrence Berkeley National Laboratory`s Advanced Light Source (ALS) accelerators from 1993 to 1995. The ALS is a 1.0 - 1.9 GeV electron accelerator producing extremely bright synchrotron light in the UV and soft-X-ray wavelengths. At the ALS, electrons are accelerated in a LINAC to 50 MeV, injected into a booster ring for further acceleration and finally injected into the storage ring. This is shown schematically in Figure 1. The storage ring, some 200 m in circumference, has been run with electron currents above 400 mA with lifetimes as high as 24 hours. The ALS is a third generation light source and requires for efficient storage ring operation, magnets aligned to within 150 mm of their ideal position. To accomplish this a network of monuments was established and their positions measured with respect to one another. The data was reduced using GEONET`` and STAR*NET`` software. Using the monuments as reference points, magnet positions were measured and alignment confirmed using the Kem Electronic Coordinate Determination System (ECDS``). A number of other papers dealing with survey and alignment (S&A) at the ALS have been written that may further elucidate some details of the methods and systems described in this paper.

  5. X-ray diffraction study of GaSb/AlSb strained-layer-superlattices grown on miscut (100) substrates

    SciTech Connect

    Macrander, A.T. ); Schwartz, G.P.; Guiltieri, G.J.; Gilmer, G. )

    1991-07-01

    A series of superlattices were grown by molecular beam epitaxy on (100) GaSb substrates which had been miscut by 2, 3, and 4 degrees toward the <011> direction. These superlattices were then studied by scanning all possible (444) or (511) (asymmetric) reflections with high resolution multiple-crystal x-ray diffractometry. In addition, the (400) (quasi-symmetric) reflection was scanned. From peak splittings we extracted mismatch and tilt parameters for the epitaxial unit cell. We compared our results for the non-tetragonal component of the distortion ot calculations based on the coherent strain model of Hornstra and Bartels (J. Cryst. Growth 44,513 (1978)). We find that this model which was developed for epitaxial growth on a general (hkl) plane also describes our results for growth on vicinal (100) planes. The resolution of our data is sufficient to establish that the distortion was not purely tetragonal. A monoclinic unit cell symmetry adequately describes our results.

  6. X-ray diffraction study of GaSb/AlSb strained-layer-superlattices grown on miscut (100) substrates

    SciTech Connect

    Macrander, A.T.; Schwartz, G.P.; Guiltieri, G.J.; Gilmer, G.

    1991-07-01

    A series of superlattices were grown by molecular beam epitaxy on (100) GaSb substrates which had been miscut by 2, 3, and 4 degrees toward the <011> direction. These superlattices were then studied by scanning all possible [444] or [511] (asymmetric) reflections with high resolution multiple-crystal x-ray diffractometry. In addition, the (400) (quasi-symmetric) reflection was scanned. From peak splittings we extracted mismatch and tilt parameters for the epitaxial unit cell. We compared our results for the non-tetragonal component of the distortion ot calculations based on the coherent strain model of Hornstra and Bartels (J. Cryst. Growth 44,513 (1978)). We find that this model which was developed for epitaxial growth on a general (hkl) plane also describes our results for growth on vicinal (100) planes. The resolution of our data is sufficient to establish that the distortion was not purely tetragonal. A monoclinic unit cell symmetry adequately describes our results.

  7. The mechanical properties of FeAl

    SciTech Connect

    Baker, I.; George, E.P.

    1996-12-31

    Only in the last few years has progress been made in obtaining reproducible mechanical properties data for FeAl. Two sets of observations are the foundation of this progress. The first is that the large vacancy concentrations that exist in FeAl at high temperature are easily retained at low temperature and that these strongly affect the low-temperature mechanical properties. The second is that RT ductility is adversely affected by water vapor. Purpose of this paper is not to present a comprehensive overview of the mechanical properties of FeAl but rather to highlight our understanding of key phenomena and to show how an understanding of the factors which control the yield strength and fracture behavior has followed the discovery of the above two effects. 87 refs, 9 figs.

  8. Boron strengthening in FeAl

    SciTech Connect

    Baker, I.; Li, X.; Xiao, H.; Klein, O.; Nelson, C.; Carleton, R.L.; George, E.P.

    1998-11-01

    The effect of boron on the strength of B2-structured FeAl is considered as a function of composition, grain size and temperature. Boron does not affect the concentrations of antisite atoms or vacancies present, with the former increasing and the latter decreasing with increasing deviation from the stoichiometric composition. When vacancies are absent, the strength increase per at. % B per unit lattice strain, {Delta}{sigma}/({Delta}c x {epsilon}) increases with increasing aluminum concentration, but when vacancies are present (>45 at. % Al), {Delta}{sigma}/({Delta}c x {epsilon}) decreases again. Boron increases grain size strengthening in FeAl. B strengthening is roughly independent of temperature up to the yield strength peak but above the point, when diffusion-assisted deformation occurs, boron strengthening increases dramatically.

  9. Primary (AL) amyloidosis in plasma cell disorders.

    PubMed

    Müller, Antonia M S; Geibel, Annette; Neumann, Hartmut P H; Kühnemund, Alexander; Schmitt-Gräff, Annette; Böhm, Joachim; Engelhardt, Monika

    2006-01-01

    Primary (AL) amyloidosis is the most common form of systemic amyloidosis. The morbidity arises from extracellular deposition of immunoglobulin light chain (LC) fibrils in major organs, such as the kidneys, heart, and bowel. Organ dysfunction contributes to a high mortality and poor prognosis, with a median survival time of 1-2 years from diagnosis. Here, we present a 46-year-old man with an exceptional clinical course of an LC multiple myeloma with generalized amyloidosis, causing renal insufficiency, congestive heart failure, and complete intestinal necrosis. We have summarized recent knowledge on AL amyloidosis, its association with monoclonal gammopathies, clinical presentations, diagnostic tools, and treatment strategies. Our comprehensive overview of this rare and often fatal disease aims to increase the awareness of AL amyloidosis. This may facilitate earlier diagnosis, and thus allow initiation of prompt and specific therapies, which are indispensable in order to improve disease prognosis. PMID:16880241

  10. Thermodynamic properties and equations of state for Ag, Al, Au, Cu and MgO using a lattice vibrational method

    NASA Astrophysics Data System (ADS)

    Jacobs, M.; Schmid-Fetzer, R.

    2012-04-01

    A prerequisite for the determination of pressure in static high pressure measurements, such as in diamond anvil cells is the availability of accurate equations of state for reference materials. These materials serve as luminescence gauges or as X-ray gauges and equations of state for these materials serve as secondary pressure scales. Recently, successful progress has been made in the development of consistency between static, dynamic shock-wave and ultrasonic measurements of equations of state (e.g. Dewaele et al. Phys. Rev. B70, 094112, 2004, Dorogokupets and Oganov, Doklady Earth Sciences, 410, 1091-1095, 2006, Holzapfel, High Pressure Research 30, 372-394, 2010) allowing testing models to arrive at consistent thermodynamic descriptions for X-ray gauges. Apart from applications of metallic elements in high-pressure work, thermodynamic properties of metallic elements are also of mandatory interest in the field of metallurgy for studying phase equilibria of alloys, kinetics of phase transformation and diffusion related problems, requiring accurate thermodynamic properties in the low pressure regime. Our aim is to develop a thermodynamic data base for metallic alloy systems containing Ag, Al, Au, Cu, Fe, Ni, Pt, from which volume properties in P-T space can be predicted when it is coupled to vibrational models. This mandates the description of metallic elements as a first step aiming not only at consistency in the pressure scales for the elements, but also at accurate representations of thermodynamic properties in the low pressure regime commonly addressed in metallurgical applications. In previous works (e.g. Jacobs and de Jong, Geochim. Cosmochim. Acta, 71, 3630-3655, 2007, Jacobs and van den Berg, Phys. Earth Planet. Inter., 186, 36-48, 2011) it was demonstrated that a lattice vibrational framework based on Kieffer's model for the vibrational density of states, is suitable to construct a thermodynamic database for Earth mantle materials. Such a database aims at

  11. Adhesion of metal carbide/nitride interfaces: Al/TiC and Al/TiN

    NASA Astrophysics Data System (ADS)

    Liu, L. M.; Wang, S. Q.; Ye, H. Q.

    2003-12-01

    We employ density functional theory to investigate and compare Al/TiC and Al/TiN interfaces by electronic structures, relaxed atomic geometries and adhesions. The results show that the preferred bonding site is the interfacial Al atoms above the ceramic's metalloid atoms for both systems. The calculated adhesion energies are quantitatively in agreement with other calculated and experimental results of Al on the carbide and nitride. A detailed comparison of the adhesion energies and relaxed structures shows weaker bonding and less relaxation in the Al/nitride case, which is correlated with the lower surface energy of the ceramic. We have thoroughly characterized the electronic structure and determined that the polar covalent Al3sp-C(N)2s bonds constitute the primary interfacial bonding interaction. The larger overlapping bonding states at the Al/TiC interface reveal the reason why it exhibits relatively larger adhesion energy. Cleavage may take place preferentially at the interface, especially for the Al/TiN, which is in agreement with experimental results.

  12. Directional Solidification and Mechanical Properties of NiAl-NiAlTa Alloys

    NASA Technical Reports Server (NTRS)

    Johnson, D. R.; Chen, X. F.; Oliver, B. F.; Noebe, R. D.; Whittenberger, J. D.

    1995-01-01

    Directional solidification of eutectic alloys is a promising technique for producing in-situ composite materials exhibiting a balance of properties. Consequently, the microstructure, creep strength and fracture toughness of directionally solidified NiAl-NiAlTa alloys were investigated. Directional solidification was performed by containerless processing techniques to minimize alloy contamination. The eutectic composition was found to be NiAl-15.5 at% Ta and well-aligned microstructures were produced at this composition. A near-eutectic alloy of NiAl-14.5Ta was also investigated. Directional solidification of the near-eutectic composition resulted in microstructures consisting of NiAl dendrites surrounded by aligned eutectic regions. The off-eutectic alloy exhibited promising compressive creep strengths compared to other NiAl-based intermetallics, while preliminary testing indicated that the eutectic alloy was competitive with Ni-base single crystal superalloys. The room temperature toughness of these two-phase alloys was similar to that of polycrystalline NiAl even with the presence of the brittle Laves phase NiAlTa.

  13. Synthesis of nanostructured AlN by solid state reaction of Al and diaminomaleonitrile

    SciTech Connect

    Rounaghi, S.A.; Eshghi, H.; Kiani Rashid, A.R.; Vahdati Khaki, J.; Samadi Khoshkhoo, M.; Scudino, S.; Eckert, J.

    2013-02-15

    The solid state reaction of diaminomaleonitrile (DAMN) with aluminum via both mechanochemical and thermal treatment routes was studied by X-ray diffraction and Fourier transform infrared spectroscopy. During the milling process, the reaction starts with the deammoniation of the DAMN molecules, followed by the formation of nanostructured AlN powder as the main solid product after milling for 7 h. The reactivity of the mixed powder was also investigated during the conventional thermal treatment process using differential scanning calorimetry, derivative thermogravimetry and thermogravimetric analysis. The results reveal that DAMN starts to polymerize at 192 Degree-Sign C by the elimination of the amine groups. Furthermore, increasing the annealing temperature leads to the formation of a nitrogen-containing carbonaceous material with the structure similar to non-crystalline carbon. However, no evidence for the formation of AlN was observed in the annealed samples even at temperatures as high as the Al melting point. - Graphical abstract: AlN nanoparticles obtained after milling of Al and diaminomaleonitrile (DAMN) for 12 h. Highlights: Black-Right-Pointing-Pointer Solid state reaction of diaminomaleonitrile (DAMN) with Al was studied via mechanochemical and thermal treatment routs. Black-Right-Pointing-Pointer Nanocrystalline AlN was successfully synthesized by the mechanochemical process. Black-Right-Pointing-Pointer The C/N material was formed by polymerization of DAMN during the thermal treatment process. Black-Right-Pointing-Pointer No reaction between DAMN and Al was detected during the thermal treatment method.

  14. Electronic circuits having NiAl and Ni.sub.3 Al substrates

    DOEpatents

    Deevi, Seetharama C.; Sikka, Vinod K.

    1999-01-01

    An electronic circuit component having improved mechanical properties and thermal conductivity comprises NiAl and/or Ni.sub.3 Al, upon which an alumina layer is formed prior to applying the conductive elements. Additional layers of copper-aluminum alloy or copper further improve mechanical strength and thermal conductivity.

  15. Transport mechanisms of leakage current in Al2O3/InAlAs MOS capacitors

    NASA Astrophysics Data System (ADS)

    Jin, Chengji; Lu, Hongliang; Zhang, Yimen; Zhang, Yuming; Guan, He; Wu, Lifan; Lu, Bin; Liu, Chen

    2016-09-01

    An Al2O3 layer is inserted between the InAlAs layer and the metal gate in InAs/AlSb HEMTs to suppress the leakage current. The transport mechanisms of leakage current in Al2O3/InAlAs metal-oxide-semiconductor (MOS) capacitors at both positive and negative biases at different temperatures ranging from 10 °C to 70 °C are investigated. For positive bias, the leakage current is dominated by Schottky emission. Based on the fitted straight lines, the relative dielectric constant of Al2O3 and the barrier height between Al2O3 and InAlAs are extracted. However, for negative bias, the leakage current is dominated by Frenkel-Poole (F-P) emission and the depth of the trap energy level from the conduction band (ϕt) is extracted. Furthermore, authors explain the reason why the dominating mechanisms at positive and negative biases are different.

  16. Disordered crystal structure of 20H-AlON, Al10O3N8

    NASA Astrophysics Data System (ADS)

    Banno, Hiroki; Funahashi, Shiro; Asaka, Toru; Hirosaki, Naoto; Fukuda, Koichiro

    2015-10-01

    The disordered crystal structure of 20H-AlON (Al10O3N8) was determined by combined use of X-ray powder diffraction and transmission electron microscopy. The title compound is hexagonal with space group P63/mmc (Z=2) and the unit-cell dimensions are a=0.307082(5) nm, c=5.29447(8) nm and V=0.432376(12) nm3. The structural model showed the positional disordering of three of the six Al sites in the unit cell. The reliability indices calculated from the Rietveld method were Rwp=6.97%, S (=Rwp/Re)=1.68, Rp=5.45%, RB=5.13% and RF=4.56%. We interpreted the disordered structure of 20H-AlON as a statistical average of six different types of ordered structural configurations, which are composed of an octahedral [Al(O, N)6] layer and tetrahedral [Al(O, N)4] layers. We demonstrated the high correlations between the hexagonal unit-cell dimensions and the octahedral layer concentrations for AlON and SiAlON polytypoids.

  17. An Alternative Perspective on von Winterfeldt et al.'s (1997) Test of Consequence Monotonicity

    ERIC Educational Resources Information Center

    Ho, Moon-Ho R.; Regenwetter, Michel; Niederee, Reinhard; Heyer, Dieter

    2005-01-01

    D. von Winterfeldt, N.-K. Chung, R. D. Luce, and Y. Cho (see record 1997-03378-008) provided several tests for consequence monotonicity of choice or judgment, using certainty equivalents of gambles. The authors reaxiomatized consequence monotonicity in a probabilistic framework and reanalyzed von Winterfeldt et al.'s main experiment via a…

  18. Melting, Processing, and Properties of Disordered Fe-Al and Fe-Al-C Based Alloys

    NASA Astrophysics Data System (ADS)

    Satya Prasad, V. V.; Khaple, Shivkumar; Baligidad, R. G.

    2014-09-01

    This article presents a part of the research work conducted in our laboratory to develop lightweight steels based on Fe-Al alloys containing 7 wt.% and 9 wt.% aluminum for construction of advanced lightweight ground transportation systems, such as automotive vehicles and heavy-haul truck, and for civil engineering construction, such as bridges, tunnels, and buildings. The melting and casting of sound, porosity-free ingots of Fe-Al-based alloys was accomplished by a newly developed cost-effective technique. The technique consists of using a special flux cover and proprietary charging schedule during air induction melting. These alloys were also produced using a vacuum induction melting (VIM) process for comparison purposes. The effect of aluminum (7 wt.% and 9 wt.%) on melting, processing, and properties of disordered solid solution Fe-Al alloys has been studied in detail. Fe-7 wt.% Al alloy could be produced using air induction melting with a flux cover with the properties comparable to the alloy produced through the VIM route. This material could be further processed through hot and cold working to produce sheets and thin foils. The cold-rolled and annealed sheet exhibited excellent room-temperature ductility. The role of carbon in Fe-7 wt.% Al alloys has also been examined. The results indicate that Fe-Al and Fe-Al-C alloys containing about 7 wt.% Al are potential lightweight steels.

  19. A Comment on Eerland et al. (2016).

    PubMed

    Hart, William

    2016-03-01

    People imagine criminal behavior in greater detail and ascribe more blame to criminals when a description of a crime is written using the imperfective verb aspect (Hart & Albarracín, 2011, Experiment 3). An initiative to reproduce these findings conducted by Eerland et al. (2016) yielded a lack of replication. Eerland et al. have suggested that the original effect was likely driven by a Type I error produced by methodological aspects of the experiment, including low sample size. Recent conceptual replications of Hart and Albarracín's effect (Sherrill, Eerland, Zwaan, & Magliano, 2015), however, might imply the effect could be contingent on sample characteristics. PMID:26993281

  20. The ALS Storage Ring RF System

    SciTech Connect

    Taylor, B.; Lo, C.C.; Baptiste, K.; Guigli, J.; Julian, J.

    1993-05-01

    The ALS Storage Ring RF System is characterized by the use of the following features: (1) High power loading of two single cell cavities. (2) The use of a tubular ceramic input window employing aperture coupling. (3) The use of waveguide filters and matchers designed for HOM absorption. (4) A comprehensive HOM monitoring system. (5) The use of waveguide water-wedge loads for the magic tee and circulator loads. The results of cavity measurements and high power tests are reported together with the performance of the system during the commissioning and operation phases of the ALS project. Plans for future window development are discussed.

  1. Quadrupole scattering in PrAl2

    NASA Astrophysics Data System (ADS)

    Sablik, M. J.; Pureur, P.; Creuzet, G.; Fert, A.; Levy, P. M.

    1983-10-01

    We derive the spontaneous anisotropy of the resistivity of the ferromagnetic compound PrAl2 from magnetoresistance measurements on a single crystal of PrAl2. We ascribe this spontaneous anisotropy of the resistivity to scattering of the conduction electrons by the thermal quadrupole disorder and we account for our experimental results by using the theoretical model previously developed by us. We find that quadrupole scattering gives a very important contribution to the total magnetic disorder (spin and quadrupole) resistivity but that only a small part of this quadrupole contribution is anisotropic.

  2. Nb3Al Development for HEP Applications

    SciTech Connect

    Sumption, M.D.; Buta, F.; Collings, E.W.; Tomsic, M.; Phillips, J.; McFadden, K.; Wu, X

    2004-06-28

    Recent developments in Nb3Al strand for HEP applications are presented and discussed. The present state of available precursor is detailed. Two routes have been shown to lead to successful construction of MF NbAl composite wires. An extrusion method has so far produced the highest filament counts and smallest filament diameters, but requires more processing steps. A direct restack and draw approach has also been demonstrated which minimizes the number of processing steps while still leading to a high performance conductor. This latter route also allows for a lower cost per billet, potentially allowing the exploration of more process parameters.

  3. Complementary and Alternative Therapies in ALS

    PubMed Central

    Bedlack, Richard S.; Joyce, Nanette; Carter, Gregory T.; Pagononi, Sabrina; Karam, Chafic

    2015-01-01

    Synopsis Given the severity of their illness and lack of effective disease modifying agents, it is not surprising that most patients with ALS consider trying complementary and alternative therapies. Some of the most commonly considered alternative therapies include special diets, nutritional supplements, cannabis, acupuncture, chelation and energy healing. This chapter reviews these in detail. We also describe 3 models by which physicians may frame discussions about alternative therapies: paternalism, autonomy and shared decision making. Finally, we review a program called ALSUntangled which using shared shared decision making to review alternative therapies for ALS. PMID:26515629

  4. Surface phonon polariton characteristics of In(0.04)Al(0.06)Ga(0.90)N/AlN/Al(2)O(3) heterostructure.

    PubMed

    Ng, S S; Lee, S C; Bakhori, S K Mohd; Hassan, Z; Abu Hassan, H; Yakovlev, V A; Novikova, N N; Vinogradov, E A

    2010-05-10

    Surface phonon polariton (SPP) characteristics of In(0.04)Al(0.06)Ga(0.90)N/AlN/Al(2)O(3) heterostructure are investigated by means of p-polarized infrared (IR) attenuated total reflection spectroscopy. Two absorption dips corresponding to In(0.04)Al(0.06)Ga(0.90)N SPP modes are observed. In addition, two prominent dips and one relatively weak and broad dip corresponding to the Al(2)O(3) SPP mode, In(0.04)Al(0.06)Ga(0.90)N/Al(2)O(3) interface mode, and Al(2)O(3) bulk polariton mode, respectively, are clearly seen. No surface mode feature originating from the AlN layer is observed because it is too thin. Overall, the observations are in good agreement with the theoretical predictions. PMID:20588890

  5. Formation of gamma'-Ni3Al via the Peritectoid Reaction: gamma plus beta (+Al2O3) equals gamma'(+Al2O3)

    NASA Technical Reports Server (NTRS)

    Copland, Evan

    2008-01-01

    The activities of Al and Ni were measured using multi-cell Knudsen effusion-cell mass spectrometry (multi-cell KEMS), over the composition range 8 - 32 at.%Al and temperature range T = 1400 - 1750 K in the Ni-Al-O system. These measurements establish that equilibrium solidification of gamma'-Ni3Al-containing alloys occurs by the eutectic reaction, L (+ Al2O3) = gamma + beta (+ Al2O3), at 1640 plus or minus 1 K and a liquid composition of 24.8 plus or minus 0.2 at.%Al (at an unknown oxygen content). The {gamma + beta + Al2O3} phase field is stable over the temperature range 1633 - 1640 K, and gamma'-Ni3Al forms via the peritectiod, gamma + beta (+ Al2O3) = gamma'(+ Al2O3), at 1633 plus or minus 1 K. This behavior is inconsistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma'-Ni3Al phase field.

  6. Formation of gamma(sup prime)-Ni3Al via the Peritectoid Reaction: gamma + beta (+ Al2O3)=gamma(sup prime)(+ Al2O3)

    NASA Technical Reports Server (NTRS)

    Copeland, Evan

    2008-01-01

    The activities of Al and Ni were measured using multi-cell Knudsen effusion-cell mass spectrometry (multi-cell KEMS), over the composition range 8-32 at.%Al and temperature range T=1400-1750 K in the Ni-Al-O system. These measurements establish that equilibrium solidification of gamma(sup prime)-Ni3Al-containing alloys occurs by the eutectic reaction, L (+ Al2O3)=gamma + Beta(+ Al2O3), at 1640 +/- 1 K and a liquid composition of 24.8 +/- 0.2 at.%al (at an unknown oxygen content). The {gamma + Beta (+Al2O3} phase field is stable over the temperature range 1633-1640 K, and gamma(sup prime)-Ni3Al forms via the peritectoid, gamma + Beta (+ Al2O3)=gamma(sup prime) (+ Al2O3), at 1633 +/- 1 K. This behavior is consistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady-state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma(sup prime)-Ni2Al phase field.

  7. Al/sub 2/O/sub 3/ adherence on CoCrAl alloys

    SciTech Connect

    Kingsley, L.M.

    1980-04-01

    Adherence of protective oxides on NiCrAl and CoCrAl superalloys has been promoted by a dispersion of a highly oxygen reactive element or its oxide being produced within the protection system. Two aspects of this subject are investigated here: the use of Al/sub 2/O/sub 3/ as both the dispersion and protective oxide; and the production of an HfO/sub 2/ dispersion while simultaneously aluminizing the alloy. It was found that an Al/sub 2/O/sub 3/ dispersion will act to promote the adherence of an external scale of Al/sub 2/O/sub 3/ to a degree comparable to previously tested dispersions and an HfO/sub 2/ dispersion comparable to that produced by a Rhines pack treatment is produced during aluminization.

  8. CVD Fiber Coatings for Al2O3/NiAl Composites

    NASA Technical Reports Server (NTRS)

    Boss, Daniel E.

    1995-01-01

    While sapphire-fiber-reinforced nickel aluminide (Al2O3/NiAl) composites are an attractive candidate for high-temperature structures, the significant difference in the coefficient of thermal expansion between the NiAl matrix and the sapphire fiber creates substantial residual stresses in the composite. This study seeks to produce two fiber-coating systems with the potential to reduce the residual stresses in the sapphire/NiAl composite system. Chemical vapor deposition (CVD) was used to produce both the compensating and compliant-fiber coatings for use in sapphire/NiAl composites. A special reactor was designed and built to produce the FGM and to handle the toxic nickel precursors. This process was successfully used to produce 500-foot lengths of fiber with coating thicknesses of approximately 3 microns, 5 microns, and 10 microns.

  9. In situ microscopy of rapidly heated nano-Al and nano-Al/WO3 thermites

    NASA Astrophysics Data System (ADS)

    Sullivan, Kyle T.; Chiou, Wen-An; Fiore, Richard; Zachariah, Michael R.

    2010-09-01

    The initiation and reaction mechanism of nano-Al and nano-Al thermites in rapid heating environments is investigated in this work. A semiconductor-based grid/stage was used, capable of in situ heating of a sample from room temperature to 1473 K, and at a rate of 106 K/s, inside an electron microscope. Nano-Al was rapidly heated in a transmission electron microscope, and before and after images indicate that the aluminum migrates through the shell, consistent with a diffusion-based mechanism. A nano-Al/WO3 composite was then heated in a scanning electron microscope. The results indicate that a reactive sintering mechanism is occurring for the nano-Al/WO3 thermite, as the products are found to be in surface contact and significantly deformed after the heating pulse.

  10. Preparation, structure and mechanical properties of RuAl and (Ru,Ni)Al alloys

    SciTech Connect

    Sabariz, A.L.R.; Taylor, G.

    1997-12-31

    The intermetallic compound, RuAl with B2 CsCl type structure, has been shown to possess room-temperature toughness and plasticity. NiAl also forms a B2 compound and it is claimed that a pseudo-binary compound, (Ru,Ni)Al, may be formed because the difference in lattice parameter between the two binary phases is slight. In this work a study has been made of the mechanical properties of some polycrystalline compounds, across the RuAl-(Ru,Ni)Al pseudo-binary, prepared from high-purity elemental powders. Compressive yield stresses were measured between room-temperature and 900 C, and the mechanisms of plastic flow are discussed in relation to the dislocation structures observed by TEM. Hot-microhardness tests were made to provide an indication of the effect of solid-solution hardening.

  11. 1300 K compressive properties of a reaction milled NiAl-AlN composites

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel; Arzt, Eduard; Luton, Michael J.

    1990-01-01

    When B2 crystal-structure nickel aluminide is subjected to high-intensity mechanical ball milling in a liquid nitrogen bath, or 'cryomilling', an NiAl composite is obtained which contains about 10 vol pct AlN particles. This composition arises from the incorporation of N during cryomilling; during subsequent thermomechanical processing, the N reacts with Al. While compressive testing of extruded or isostatically pressed specimens at 1300 K indicated that strength at relatively fast strain rates is slightly dependent on consolidation method, slower strain rates indicate no clear dependency on densification technique: four different consolidation methods were found to yield similar creep strengths. The creep properties of NiAl-AlN are similar to those of the single-crystal Ni-base superalloy NASAIR 100.

  12. Temperature dependence of the activity of Al in dilute Ni(Al) solid solutions

    SciTech Connect

    Jiang Yong; Smith, J. R.; Evans, A. G.

    2006-12-01

    Activities of dilute Al solid solutions in Ni are determined from a first-principles approach. Both thermal lattice vibration and electronic contributions to free energies are considered and compared. Vibrational contributions tend to dominate the temperature dependencies of the free energies, though electron thermal effects are significant. Calculations show opposing temperature trends for the formation enthalpies and entropies, leading to a partial cancellation of their role in the overall energetics. Nevertheless, their remaining temperature effects are strong. Over the temperature range, 400 KAl activity coefficient varies by 15 orders of magnitude, due to the relative strength of Al-Ni and Al-Al bonds. The Ni activity coefficient only varies less than 4% over the same range. Calculational results compare well with available experimental data. The thermodynamic principles elucidated from the calculations are used to provide a fundamental interpretation.

  13. 26Al+p elastic and inelastic scattering reactions and galactic abundances of 26Al

    NASA Astrophysics Data System (ADS)

    Pittman, S. T.; Bardayan, D. W.; Chae, K. Y.; Chipps, K. A.; Jones, K. L.; Kozub, R. L.; Matei, C.; Matos, M.; Moazen, B. H.; Nesaraja, C. D.; O'Malley, P. D.; Pain, S. D.; Parker, P. D.; Peters, W. A.; Shriner, J. F., Jr.; Smith, M. S.

    2012-06-01

    Galactic 26Al is the first radioactive nucleus to be positively identified by γ-ray astronomy with detection of the 1.809 MeV γ ray associated with its decay. This nucleus is destroyed in astrophysical environments in the 26Al(p,γ)27Si and inelastic 26Al+p scattering reactions where properties of 27Si levels determine reaction rates. To investigate these properties, elastic and inelastic 26Al+p scattering reactions were measured between Ec.m. = 0.5-1.5 MeV at the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge National Laboratory (ORNL). A candidate for a new resonance in the 26Al(p,γ)27Si reaction was identified. Upper limits were also set on the strengths of postulated resonances and on the cross section of the inelastic reaction, but there is little effect on current reaction rate calculations.

  14. Effect of stress on the Al composition evolution in AlGaN grown using metal organic vapor phase epitaxy

    NASA Astrophysics Data System (ADS)

    He, Chenguang; Qin, Zhixin; Xu, Fujun; Zhang, Lisheng; Wang, Jiaming; Hou, Mengjun; Zhang, Shan; Wang, Xinqiang; Ge, Weikun; Shen, Bo

    2016-05-01

    Two series of AlGaN samples with different stresses were designed to investigate the effect of stress on the Al composition. X-ray diffraction reciprocal space mapping (XRD RSM) demonstrated that the AlGaN epilayers with different stresses have large Al composition differences despite the same growth conditions. The largest Al composition difference reached up to 21.3%, which was also confirmed using secondary ion mass spectroscopy (SIMS). This result is attributed to a large stress discrepancy in the AlGaN epilayers. Finally, the dependences of the solid-phase Al composition on the gas-phase Al composition under different stresses were systematically analyzed.

  15. Equilibrium point defects in intermetallics with the [ital B]2 structure: NiAl and FeAl

    SciTech Connect

    Fu, C.L.; Ye, Y.; Yoo, M.H. ); Ho, K.M. )

    1993-09-01

    Equilibrium point defects and their relation to the contrasting mechanical behavior of NiAl and FeAl are investigated. For NiAl, the defect structure is dominated by two types of defects---monovacancies on the Ni sites and substitutional antisite defects on the Al sites. The defect structure of FeAl differs from that of NiAl in the occurrence of antisite defects at the transition-metal sites for Al-rich alloys and the tendency for vacancy clustering. The strong ordering (and brittleness) of NiAl is attributed mainly to the difference in atomic size between constituent atoms.

  16. Wear characteristics of Al-AlN composites produced in-situ by nitrogenation

    NASA Astrophysics Data System (ADS)

    Pradhan, S.; Jena, S. K.; Patnaik, S. C.; Swain, P. K.; Majhi, J.

    2015-02-01

    In the present scenario most of the parts used in automobile and aerospace industries are made of composites. Aluminium metal has a very high strength to weight ratio. Al-AlN metal matrix composites have excellent mechanical properties like good wear resistance, high hardness and high strength to weight ratio which are obtained from low density of aluminium and high hardness and wear resistance of AlN. Therefore, use of Al-AlN MMC leads to advantages in automobile industries as it reduces fuel consumption and gives better structural strength. The composites can be produced ex-situ by introducing AlN as reinforcement into the metal matrix and in- situ by nitrogenation process. In the present process Al-AlN composites were fabricated by treating molten aluminium with a mixture of CaO and NH4Cl and held at temperature range at 750-930°C and then cast into a metal mould. Addition of CaO to NH4Cl is found to have a more pronounced effect as a nitrogenation agent in comparison with NH4Cl in the molten aluminium in the temperature range of 700- 1000°C. Castings of aluminium and Al-AlN composites were prepared by mixing different ratios of aluminium and NH4Cl, at different casting temperatures and holding time. Wear resistance and hardness of the samples were determined, and microstructure studies were carried out. The composite formed using higher amount of NH4Cl had higher hardness and wear resistance.

  17. Crystal structure of azido­(η5-cyclo­penta­dien­yl)bis­(tri­phenyl­phosphane-κP)ruthenium(II) di­chloro­methane hemisolvate

    PubMed Central

    Hernández-Calva, Adriana; Meléndez-Balbuena, Lidia; Arroyo, Maribel; Ramírez-Monroy, Armando

    2014-01-01

    The title solvated complex, [Ru(η5-C5H5)(N3){P(C6H5)3}2]·0.5CH2Cl2, displays a typical piano-stool geometry about the RuII atom. The bond lengths and angles of the cyclo­penta­dienyl and phosphane ligands are very similar to that of the unsolvated complex [Taqui Khan et al. (1994 ▶). Acta Cryst. C50, 502–504]. The azide anion displays similar N—N distances of 1.173 (3) and 1.156 (3) Å and has an N—N—Ru angle of 119.20 (15)°, indicating a greater contribution of the canonical form Ru—N=N(+)=N(-) for the bonding situation. An intra­molecular C—H⋯N hydrogen-bonding inter­action between one ortho H atom of a phosphane ligand and the N atom coordinating to the metal is observed. A similar inter­molecular inter­action is observed between a meta H atom of a phosphane ligand and the terminal azide N atom of a neighbouring complex. Finally, two C—H⋯N inter­actions exists between the H atoms of the di­chloro­methane solvent mol­ecule and the terminal N atom of two azide anions. The solvent mol­ecule is located about a twofold rotation axis and shows disorder of the Cl atoms with an occupancy ratio of 0.62 (3):0.38 (3). PMID:25484673

  18. Distinguishing tautomerism in the crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide using DFT-D calculations and {sup 13}C solid-state NMR

    SciTech Connect

    Li, Xiaozhou; Bond, Andrew D.; Johansson, Kristoffer E.; Van de Streek, Jacco

    2014-08-01

    The crystal structure of (Z)-N-(5-ethyl-2,3-di-hydro-1,3,4-thiadiazol-2-ylidene) -4-methylbenzenesulfonamide contains an imine tautomer, rather than the previously reported amine tautomer. The tautomers can be distinguished using dispersion-corrected density functional theory calculations and by comparison of calculated and measured {sup 13}C solid-state NMR spectra. The crystal structure of the title compound, C{sub 11}H{sub 13}N{sub 3}O{sub 2}S{sub 2}, has been determined previously on the basis of refinement against laboratory powder X-ray diffraction (PXRD) data, supported by comparison of measured and calculated {sup 13}C solid-state NMR spectra [Hangan et al. (2010 ▶). Acta Cryst. B66, 615–621]. The mol@@ecule is tautomeric, and was reported as an amine tautomer [systematic name: N-(5-ethyl-1,3,4-thia@@diazol-2-yl)-p-toluene@@sulfonamide], rather than the correct imine tautomer. The protonation site on the mol@@ecule’s 1,3,4-thia@@diazole ring is indicated by the inter@@molecular contacts in the crystal structure: N—H⋯O hydrogen bonds are established at the correct site, while the alternative protonation site does not establish any notable inter molecular inter@@actions. The two tautomers provide essentially identical Rietveld fits to laboratory PXRD data, and therefore they cannot be directly distinguished in this way. However, the correct tautomer can be distinguished from the incorrect one by previously reported qu@@anti@@tative criteria based on the extent of structural distortion on optimization of the crystal structure using dispersion-corrected density functional theory (DFT-D) calculations. Calculation of the {sup 13}C SS-NMR spectrum based on the correct imine tautomer also provides considerably better agreement with the measured {sup 13}C SS-NMR spectrum.

  19. Heterocyclic tautomerism: reassignment of two crystal structures of 2-amino-1,3-thiazolidin-4-one derivatives.

    PubMed

    Gzella, Andrzej K; Kowiel, Marcin; Suseł, Aneta; Wojtyra, Magdalena N; Lesyk, Roman

    2014-08-01

    The structures of 5-(2-hydroxyethyl)-2-[(pyridin-2-yl)amino]-1,3-thiazolidin-4-one, C10H11N3O2S, (I), and ethyl 4-[(4-oxo-1,3-thiazolidin-2-yl)amino]benzoate, C12H12N2O3S, (II), which are identical to the entries with refcodes GACXOZ [Váňa et al. (2009). J. Heterocycl. Chem. 46, 635-639] and HEGLUC [Behbehani & Ibrahim (2012). Molecules, 17, 6362-6385], respectively, in the Cambridge Structural Database [Allen (2002). Acta Cryst. B58, 380-388], have been redetermined at 130 K. This structural study shows that both investigated compounds exist in their crystal structures as the tautomer with the carbonyl-imine group in the five-membered heterocyclic ring and an exocyclic amine N atom, rather than the previously reported tautomer with a secondary amide group and an exocyclic imine N atom. The physicochemical and spectroscopic data of the two investigated compounds are the same as those of GACXOZ and HEGLUC, respectively. In the thiazolidin-4-one system of (I), the S and chiral C atoms, along with the hydroxyethyl group, are disordered. The thiazolidin-4-one fragment takes up two alternative locations in the crystal structure, which allows the molecule to adopt R and S configurations. The occupancy factors of the disordered atoms are 0.883 (2) (for the R configuration) and 0.117 (2) (for the S configuration). In (I), the main factor that determines the crystal packing is a system of hydrogen bonds, involving both strong N-H...N and O-H...O and weak C-H...O hydrogen bonds, linking the molecules into a three-dimensional hydrogen-bond network. On the other hand, in (II), the molecules are linked via N-H...O hydrogen bonds into chains. PMID:25093365

  20. A monoclinic polymorph of 4-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl­phen­yl)-1H-pyrazol-5-amine

    PubMed Central

    Jotani, Mukesh M.; Gajera, Nilesh N.; Patel, Mukesh C.; Sung, Herman H. Y.; Tiekink, Edward R. T.

    2015-01-01

    The title compound, C17H15N3O2, is a monoclinic polymorph (P21/c with Z′ = 1) of the previously reported triclinic (P-1 with Z′ = 2) form [Gajera et al. (2013 ▸). Acta Cryst. E69, o736–o737]. The mol­ecule in the monoclinic polymorph features a central pyrazolyl ring with an N-bound p-tolyl group and a C-bound 1,3-benzodioxolyl fused-ring system on either side of the C atom bearing the amino group. The dihedral angles between the central ring and the N- and C-bound rings are 50.06 (5) and 27.27 (5)°, respectively. The angle between the pendent rings is 77.31 (4)°, indicating the mol­ecule has a twisted conformation. The five-membered dioxolyl ring has an envelope conformation with the methyl­ene C atom being the flap. The relative disposition of the amino and dioxolyl substituents is syn. One of the independent mol­ecules in the triclinic form has a similar syn disposition but the other has an anti arrangement of these substituents. In the crystal structure of the monoclinic form, mol­ecules assemble into supra­molecular helical chains via amino–pyrazolyl N—H⋯N hydrogen bonds. These are linked into layers via C—H⋯π inter­actions, and layers stack along the a axis with no specific inter­actions between them. PMID:26594387

  1. X-ray structure of the metcyano form of dehaloperoxidase from Amphitrite ornata: evidence for photoreductive dissociation of the iron-cyanide bond

    SciTech Connect

    de Serrano, V.S.; Davis, M.F.; Gaff, J.F.; Zhang, Q.; Chen, Z.; D'Antonio, E.L.; Bowden, E.F.; Rose, R.; Franzen, S.

    2010-11-09

    X-ray crystal structures of the metcyano form of dehaloperoxidase-hemoglobin (DHP A) from Amphitrite ornata (DHPCN) and the C73S mutant of DHP A (C73SCN) were determined using synchrotron radiation in order to further investigate the geometry of diatomic ligands coordinated to the heme iron. The DHPCN structure was also determined using a rotating-anode source. The structures show evidence of photoreduction of the iron accompanied by dissociation of bound cyanide ion (CN{sup -}) that depend on the intensity of the X-ray radiation and the exposure time. The electron density is consistent with diatomic molecules located in two sites in the distal pocket of DHPCN. However, the identities of the diatomic ligands at these two sites are not uniquely determined by the electron-density map. Consequently, density functional theory calculations were conducted in order to determine whether the bond lengths, angles and dissociation energies are consistent with bound CN{sup -} or O{sub 2} in the iron-bound site. In addition, molecular-dynamics simulations were carried out in order to determine whether the dynamics are consistent with trapped CN{sup -} or O{sub 2} in the second site of the distal pocket. Based on these calculations and comparison with a previously determined X-ray crystal structure of the C73S-O{sub 2} form of DHP [de Serrano et al. (2007), Acta Cryst. D63, 1094-1101], it is concluded that CN{sup -} is gradually replaced by O{sub 2} as crystalline DHP is photoreduced at 100 K. The ease of photoreduction of DHP A is consistent with the reduction potential, but suggests an alternative activation mechanism for DHP A compared with other peroxidases, which typically have reduction potentials that are 0.5 V more negative. The lability of CN{sup -} at 100 K suggests that the distal pocket of DHP A has greater flexibility than most other hemoglobins.

  2. Identification of the critical linker residues conferring differences in the compactness of NS5 from Dengue virus serotype 4 and NS5 from Dengue virus serotypes 1-3.

    PubMed

    Subramanian Manimekalai, Malathy Sony; Saw, Wuan Geok; Pan, Ankita; Grüber, Ardina; Grüber, Gerhard

    2016-06-01

    Dengue virus (DENV) nonstructural protein 5 (NS5) consists of a methyltransferase (MTase) domain and an RNA-dependent RNA polymerase (RdRp) domain. The cross-talk between these domains occurs via a ten-residue linker. Recent solution studies of DENV NS5 from all four serotypes (DENV-1 to DENV-4) showed that NS5 adopts multiple conformations owing to its flexible linker and that DENV-4 NS5 is more compact and less flexible compared with NS5 from DENV-1 to DENV-3 [Saw et al. (2015), Acta Cryst. D71, 2309-2327]. Here, using a variety of single, double, triple and quadruple mutants of DENV-4 NS5 combined with solution X-ray scattering studies, insight into the critical residues responsible for the differential flexibility of DENV-4 NS5 is presented. The DENV-4 NS5 mutants K271T and S266N/T267A as well as the deletion mutant ΔS266T267 showed enlarged dimensions and flexibility similar to those of DENV-3 NS5. The data indicate that the residues Lys271, Ser266 and Thr267 are important for the compactness of DENV-4 NS5 and therefore may be critical for the regulation of virus replication. Furthermore, quantitative characterization of the flexibility of these DENV-4 NS5 linker mutants using the ensemble-optimization method revealed that these mutants possess a similar conformational distribution to DENV-3 NS5, confirming that these residues in the linker region cause the higher compactness of DENV-4 NS5. PMID:27303800

  3. Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction.

    PubMed

    Fortes, A Dominic

    2015-07-01

    Time-of-flight neutron powder diffraction data have been measured from ∼90 mol% deuterated isotopologues of Na2MoO4·2H2O and Na2WO4·2H2O at 295 K to a resolution of sin (θ)/λ = 0.77 Å(-1). The use of neutrons has allowed refinement of structural parameters with a precision that varies by a factor of two from the heaviest to the lightest atoms; this contrasts with the X-ray based refinements where precision may be > 20× poorer for O atoms in the presence of atoms such as Mo and W. The accuracy and precision of inter-atomic distances and angles are in excellent agreement with recent X-ray single-crystal structure refinements whilst also completing our view of the hydrogen-bond geometry to the same degree of statistical certainty. The two structures are isotypic, space-group Pbca, with all atoms occupying general positions, being comprised of edge- and corner-sharing NaO5 and NaO6 polyhedra that form layers parallel with (010) inter-leaved with planes of XO4 (X = Mo, W) tetra-hedra that are linked by chains of water mol-ecules along [100] and [001]. The complete structure is identical with the previously described molybdate [Capitelli et al. (2006 ▸). Asian J. Chem. 18, 2856-2860] but shows that the purported three-centred inter-action involving one of the water mol-ecules in the tungstate [Farrugia (2007 ▸). Acta Cryst. E63, i142] is in fact an ordinary two-centred 'linear' hydrogen bond. PMID:26279871

  4. Crystal structure of a new monoclinic polymorph of 2,4-di­hydroxy­benzaldehyde 4-methyl­thio­semi­carbazone

    PubMed Central

    Salam, M. A.; Hussein, Mouayed A.; Tiekink, Edward R. T.

    2015-01-01

    The title compound, C9H11N3O2S, is a second monoclinic (P21/c) polymorph of the previously reported Cc form [Tan et al. (2008b ▸). Acta Cryst. E64, o2224]. The mol­ecule is non-planar, with the dihedral angle between the N3CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] is E, the two N-bound H atoms are anti, and the inner hy­droxy O-bound and outer amide N-bound H atoms form intra­molecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hy­droxy group is approximately syn to the H atom of the benzene C atom connecting the two C atoms bearing the hy­droxy substituents. This arrangement enables the formation of supra­molecular tubes aligned along [010] and sustained by N—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds; the tubes pack with no specific inter­actions between them. While the mol­ecular structure in the Cc form is comparable, the H atom of the outer hy­droxy group is approximately anti, rather than syn. This different orientation leads to the formation a three-dimensional architecture based on N—H⋯O and O—H⋯S hydrogen bonds. PMID:25705451

  5. Crystal structures of deuterated sodium molybdate dihydrate and sodium tungstate dihydrate from time-of-flight neutron powder diffraction

    PubMed Central

    Fortes, A. Dominic

    2015-01-01

    Time-of-flight neutron powder diffraction data have been measured from ∼90 mol% deuterated isotopologues of Na2MoO4·2H2O and Na2WO4·2H2O at 295 K to a resolution of sin (θ)/λ = 0.77 Å−1. The use of neutrons has allowed refinement of structural parameters with a precision that varies by a factor of two from the heaviest to the lightest atoms; this contrasts with the X-ray based refinements where precision may be > 20× poorer for O atoms in the presence of atoms such as Mo and W. The accuracy and precision of inter­atomic distances and angles are in excellent agreement with recent X-ray single-crystal structure refinements whilst also completing our view of the hydrogen-bond geometry to the same degree of statistical certainty. The two structures are isotypic, space-group Pbca, with all atoms occupying general positions, being comprised of edge- and corner-sharing NaO5 and NaO6 polyhedra that form layers parallel with (010) inter­leaved with planes of XO4 (X = Mo, W) tetra­hedra that are linked by chains of water mol­ecules along [100] and [001]. The complete structure is identical with the previously described molybdate [Capitelli et al. (2006 ▸). Asian J. Chem. 18, 2856–2860] but shows that the purported three-centred inter­action involving one of the water mol­ecules in the tungstate [Farrugia (2007 ▸). Acta Cryst. E63, i142] is in fact an ordinary two-centred ‘linear’ hydrogen bond. PMID:26279871

  6. A structural study of (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol.

    PubMed

    Minyaev, Mikhail E; Roitershtein, Dmitrii M; Nifant'ev, Ilya E; Ananyev, Ivan V; Minyaeva, Tatyana V; Mikhaylyev, Timofey A

    2015-06-01

    (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhang et al. (2007). Acta Cryst. E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca2₁) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O-H···O hydrogen bond. PMID:26044332

  7. Microstructure of Ni-Al powder and Ni-Al composite coatings prepared by twin-wire arc spraying

    NASA Astrophysics Data System (ADS)

    Wang, Ji-xiao; Wang, Gui-xian; Liu, Jing-shun; Zhang, Lun-yong; Wang, Wei; Li, Ze; Wang, Qi-xiang; Sun, Jian-fei

    2016-07-01

    Ni-Al powder and Ni-Al composite coatings were fabricated by twin-wire arc spraying (TWAS). The microstructures of Ni-5wt%Al powder and Ni-20wt%Al powder were characterized by scanning electronic microscopy (SEM) and energy dispersive spectroscopy (EDS). The results showed that the obtained particle size ranged from 5 to 50 μm. The morphology of the Ni-Al powder showed that molten particles were composed of Ni solid solution, NiAl, Ni3Al, Al2O3, and NiO. The Ni-Al phase and a small amount of Al2O3 particles changed the composition of the coating. The microstructures of the twin-wire-arc-sprayed Ni-Al composite coatings were characterized by SEM, EDS, X-ray diffraction (XRD), and transmission electron microscopy (TEM). The results showed that the main phase of the Ni-5wt%Al coating consisted of Ni solid solution and NiAl in addition to a small amount of Al2O3. The main phase of the Ni-20wt%Al coating mainly consisted of Ni solid solution, NiAl, and Ni3Al in addition to a small amount of Al and Al2O3, and NiAl and Ni3Al intermetallic compounds effectively further improved the final wear property of the coatings. TEM analysis indicated that fine spherical NiAl3 precipitates and a Ni-Al-O amorphous phase formed in the matrix of the Ni solid solution in the original state.

  8. Thermodynamics and Kinetics of the Formation of Al2O3/ MgAl2O4/MgO in Al-Silica Metal Matrix Composite

    NASA Astrophysics Data System (ADS)

    Sreekumar, V. M.; Ravi, K. R.; Pillai, R. M.; Pai, B. C.; Chakraborty, M.

    2008-04-01

    The formation of Al2O3, MgAl2O4, and MgO has been widely studied in different Al base metal matrix composites, but the studies on thermodynamic aspects of the Al2O3/ MgAl2O4/MgO phase equilibria have been limited to few systems such as Al/Al2O3 and Al/SiC. The present study analyzes the Al2O3/MgAl2O4 and MgAl2O4/MgO equilibria with respect to the temperature and the Mg content in Al/SiO2 system using an extended Miedema model. There is a linear and parabolic variation in Mg with respect to the temperature for MgAl2O4/MgO and Al2O3/MgAl2O4 equilibria, respectively, and the influence of Si and Cu in the two equilibria is not appreciable. The experimental verification has been limited to MgAl2O4/MgO equilibria due to the high Mg content (≥0.5 wt pct) required for composite processing. The study has been carried out on two varieties of Al/SiO2 composites, i.e., Al/Silica gel and Al/Micro silica processed by liquid metallurgy route (stir casting route). MgO is found to be more stable compared to MgAl2O4 at Mg levels ≥5 and 1 wt pct in Al/Silica gel and Al/Micro silica composites, respectively, at 1073 K. MgO is also found to be more stable at lower Mg content (3 wt pct) in Al/Silica gel composite with decreasing particle size of silica gel from 180 micron to submicron and nanolevels. The MgO to MgAl2O4 transformation has taken place through a series of transition phases influenced by the different thermodynamic and kinetic parameters such as holding temperature, Mg concentration in the alloy, holding time, and silica particle size.

  9. Bierman {ital et al.}Reply:

    SciTech Connect

    Bierman, J.D.; Chan, P.; Liang, J.F.; Kelly, M.P.; Sonzogni, A.A.; Vandenbosch, R.

    1997-05-01

    reply to the Comment by C.H.Dasso et al., Phys. Rev. Lett. 78,XXX(1997). A Reply to the Comment by C.H. Dasso and J. Fern{acute a}ndez-Niello. {copyright} {ital 1997} {ital The American Physical Society}

  10. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, Jr., Karl A.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy.sub.1-x Er.sub.x)Al.sub.2 for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant.

  11. Electron impact exctation of Al X

    NASA Astrophysics Data System (ADS)

    Aggarwal, Kanti; Keenan, Francis

    2013-05-01

    Emission lines of Al ions, including Al X, are important for the modeling and diagnostics of lasing, fusion and astrophysical plasmas, for which atomic data are required for a variety of parameters, such as energy levels, radiative rates (A- values), and excitation rates or equivalently the effective collision strengths (Υ), which are obtained from the electron impact collision strengths (Ω). Experimentally, energy levels are available for Al X on the NIST website, but there is paucity for accurate collisional atomic data. Therefore, here we report a complete set of results (namely energy levels, radiative rates, and effective collision strengths) for all transitions among the lowest 98 levels of Al X. These levels belong to the (1s2) 2s2, 2s2p, 2p2, 2s3 l, 2p3 l, 2s4 l, and 2p4 l configurations. Finally, we also report the A- values for four types of transitions, namely electric dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2), because these are also required for plasma modeling. For our calculations of wavefunctions, we have adopted the fully relativistic GRASP code, and for the calculations of Ω, the Dirac atomic R-matrix code (DARC) of PH Norrington and IP Grant. Additionally, parallel ca

  12. Kinematics of Disease Progression in Bulbar ALS

    ERIC Educational Resources Information Center

    Yunusova, Yana; Green, Jordan R.; Lindstrom, Mary J.; Ball, Laura J.; Pattee, Gary L.; Zinman, Lorne

    2010-01-01

    The goal of this study was to investigate the deterioration of lip and jaw movements during speech longitudinally in three individuals diagnosed with bulbar amyotrophic lateral sclerosis (ALS). The study was motivated by the need to understand the relationship between physiologic changes in speech movements and clinical measures of speech…

  13. Quantum Criticality in YFe2Al10

    NASA Astrophysics Data System (ADS)

    Gannon, William; Wu, Liusuo; Zaliznyak, Igor; Qiu, Yiming; Rodriguez-Rivera, Jose; Aronson, Meigan

    Quantum criticality has been studied in many systems, but there are few systems where observed scaling can be unified with a critical free energy F, or where the critical exponents form the basis for QC universality classes. We have identified a new layered material YFe2Al10 that shows remarkably strong QC behavior, where the scaling properties of the magnetic susceptibility and specific heat are consistent with the same F. Recent neutron scattering results paint a remarkable picture of the QC fluctuations in YFe2Al10. In contrast to classical transitions, where fluctuations are relatively long ranged and inelastic scattering is observed at a magnetic zone center, in YFe2Al10 the scattering is independent of wave vector in the critical plane, indicating that the fluctuations are spatially localized, while out of plane scattering indicates that the interplaner interactions are restricted to nearest neighbors. The dynamical susceptibility χ'' ~=E-2 , and is wholly temperature independent, indicating that E/T scaling is present, the signature of QC fluctuations. These results hint that the the criticality in YFe2Al10 is local, which until now has only been found in a few f-electron based compounds.

  14. Kinematics of Disease Progression in Bulbar ALS

    PubMed Central

    Yunusova, Yana; Green, Jordan; Lindstrom, Mary; Ball, Laura; Pattee, Gary; Zinman, Lorne

    2009-01-01

    The goal of this study was to investigate the deterioration of lip and jaw movements during speech longitudinally in three individuals diagnosed with bulbar Amyotrophic Lateral Sclerosis (ALS). The study was motivated by the need to understand the relationship between physiologic changes in speech movements and clinical measures of speech performance such as speaking rate and speech intelligibility. Movements of the lip and jaw were quantified with respect to their size (i.e., path distance measure), speed, and duration. The data revealed several changes in lip and jaw movement that coincided with ALS progression. In two out of three speakers, the changes in measures of path distance and speed anticipated the drop in speech intelligibility by approximately 3 months. With disease progression, increases in movement duration coincided with declines in speech intelligibility. Overall, the movement measures appeared to be sensitive to disease progression in ALS. Learning outcomes By the end of the manuscript, the reader should be able to: (1) describe the changes that occur in articulatory movements of the jaw and lower lip in ALS; (2) understand the relationship between physiologic measures of movement and speech intelligibility and speaking rate; (3) identify critical points in the disease progression and understand which quantitative measures reveal the state of the bulbar system at these time points. PMID:19683250

  15. Cryptanalysis on Cheng et al. protocol

    NASA Astrophysics Data System (ADS)

    Thakur, Tejeshwari

    2016-06-01

    Deployment of new node in any wireless sensor network is a sensitive task. This is the reason why, an Access Control Protocol is required in WSN. In this paper, we demonstrate that Access Control Protocol proposed by Cheng et al.[1] for Wireless Sensor Network is insecure. The reason is that this protocol fails to resist the active attack.

  16. U-ALS: A Ubiquitous Learning Environment

    ERIC Educational Resources Information Center

    Piovesan, Sandra Dutra; Passerino, Liliana Maria; Medina, Roseclea Duarte

    2012-01-01

    The diffusion of the use of the learning virtual environments presents a great potential for the development of an application which meet the necessities in the education area. In view of the importance of a more dynamic application and that can adapt itself continuously to the students' necessities, the "U-ALS" (Ubiquitous Adapted Learning…

  17. Al-Ghazali on Moral Education

    ERIC Educational Resources Information Center

    Alavi, Hamid Reza

    2007-01-01

    Al-Ghazali (1058-1111 CE) is probably the most influential scholar, philosopher, theologian, legal expert, religious reformer and mystic in the history of Islam. Although he wrote extensively about education, and particularly about moral education, this writing is scattered through a number of different works and has received less scholarly…

  18. 75 FR 26814 - Alabama Disaster #AL-00031

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-12

    ... From the Federal Register Online via the Government Publishing Office SMALL BUSINESS ADMINISTRATION Alabama Disaster AL-00031 AGENCY: U.S. Small Business Administration. ACTION: Notice. SUMMARY: This is a Notice of the Presidential declaration of a major disaster for Public Assistance Only for...

  19. 76 FR 29810 - Alabama Disaster #AL-00037

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-23

    ... From the Federal Register Online via the Government Publishing Office SMALL BUSINESS ADMINISTRATION Alabama Disaster AL-00037 AGENCY: U.S. Small Business Administration. ACTION: Notice. SUMMARY: This is a Notice of the Presidential declaration of a major disaster for Public Assistance Only for...

  20. 75 FR 474 - Alabama Disaster #AL-00026

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-05

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  1. 78 FR 4967 - Alabama Disaster #AL-00046

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-23

    ... From the Federal Register Online via the Government Publishing Office SMALL BUSINESS ADMINISTRATION Alabama Disaster AL-00046 AGENCY: U.S. Small Business Administration. ACTION: Notice. SUMMARY: This is a notice of an Administrative declaration of a disaster for the State of ALABAMA dated...

  2. 76 FR 27141 - Alabama Disaster # AL-00036

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-10

    ... From the Federal Register Online via the Government Publishing Office SMALL BUSINESS ADMINISTRATION Alabama Disaster AL-00036 AGENCY: U.S. Small Business Administration. ACTION: Notice. SUMMARY: This is a Notice of the Presidential declaration of a major disaster for the State of Alabama...

  3. 78 FR 22361 - Alabama Disaster #AL-00049

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    Federal Register 2010, 2011, 2012, 2013, 2014

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  10. SPI measurements of Galactic 26Al

    NASA Astrophysics Data System (ADS)

    Diehl, R.; Knödlseder, J.; Lichti, G. G.; Kretschmer, K.; Schanne, S.; Schönfelder, V.; Strong, A. W.; von Kienlin, A.; Weidenspointner, G.; Winkler, C.; Wunderer, C.

    2003-11-01

    The precision measurement of the 1809 keV gamma-ray line from Galactic 26Al is one of the goals of the SPI spectrometer on INTEGRAL with its Ge detector camera. We aim for determination of the detailed shape of this gamma-ray line, and its variation for different source regions along the plane of the Galaxy. Data from the first part of the core program observations of the first mission year have been inspected. A clear detection of the 26Al line at =~ 5-7 sigma significance demonstrates that SPI will deepen 26Al studies. The line intensity is consistent with expectations from previous experiments, and the line appears narrower than the 5.4 keV FWHM reported by GRIS, more consistent with RHESSI's recent value. Only preliminary statements can be made at this time, however, due to the multi-component background underlying the signal at =~ 40 times higher intensity than the signal from Galactic 26Al.

  11. Al/Cl2 molten salt battery

    NASA Technical Reports Server (NTRS)

    Giner, J.

    1972-01-01

    Molten salt battery has been developed with theoretical energy density of 5.2 j/kg (650 W-h/lb). Battery, which operates at 150 C, can be used in primary mode or as rechargeable battery. Battery has aluminum anode and chlorine cathode. Electrolyte is mixture of AlCl3, NaCl, and some alkali metal halide such as KCl.

  12. Correction to Rothermund et al. (2005)

    ERIC Educational Resources Information Center

    Rothermund, Klaus; Wentura, Dirk; De Houwer, Jan

    2005-01-01

    This article reports an error in the article "Retrieval of Incidental Stimulus-Response Associations as a Source of Negative Priming" by Rothermund et al. ("Journal of Experimental Psychology: Learning, Memory, and Cognition," Vol 31(3) May 2005, 482-495). Table 1 (p. 484) was incorrectly typeset. The correct layout is provided. (The following…

  13. Joint SSRTNet/ALS-MES Workshop report

    SciTech Connect

    Shuh, David; Van Hove, Michel

    2001-11-30

    This joint workshop brought together experimentalists and theorists interested in synchrotron radiation and highlighted subjects relevant to molecular environmental science (MES). The strong mutual interest between the participants resulted in joint sessions on the first day, followed by more specialized parallel sessions on the second day. Held in conjunction with the Advanced Light Source (ALS) Users' Association Annual Meeting at the Lawrence Berkeley National Laboratory (Berkeley Lab), the Synchrotron Radiation Research Theory Network (SRRTNet) workshop was co-organized by Michel Van Hove (Berkeley Lab and University of California, Davis) and Andrew Canning (Berkeley Lab), while David Shuh (Berkeley Lab) organized the ALS-MES workshop. SRRTNet is a global network that promotes the interaction of theory and experiment (http://www.cse.clrc.ac.uk/Activity/SRRTnet). The ALS-MES project is constructing Beamline 11.0.2.1-2, a new soft x-ray beamline for MES investigations at photon energies from 75 eV to 2 keV, to provide photons for wet spectroscopy end stations and an upgraded scanning transmission x-ray microscope (STXM). The ALS-MES beamline and end stations will be available for users in the late fall of 2002.

  14. Ternary Dy-Er-Al magnetic refrigerants

    DOEpatents

    Gschneidner, K.A. Jr.; Takeya, Hiroyuki

    1995-07-25

    A ternary magnetic refrigerant material comprising (Dy{sub 1{minus}x}Er{sub x})Al{sub 2} for a magnetic refrigerator using the Joule-Brayton thermodynamic cycle spanning a temperature range from about 60K to about 10K, which can be adjusted by changing the Dy to Er ratio of the refrigerant. 29 figs.

  15. Thermal mixing of Al-Fe multilayers

    NASA Astrophysics Data System (ADS)

    Meyer, M.; Mendoza Zélis, L.; Sánchez, F. H.; Traverse, A.

    1994-12-01

    Al-Fe multilayers have been mixed by thermal treatment and their evolution followed by conversion electron Mössbauer spectroscopy. The initial and final states have been characterized by Rutherford backscattering spectrometry. The results are compared with those previously obtained in the ion beam mixing of similar systems.

  16. Hydrogen Solubility in Al-bearing Perovskite

    NASA Astrophysics Data System (ADS)

    Watson, H. C.; Krawczynski, M. J.; Fei, Y.

    2005-12-01

    It is generally accepted that silicate perovskite is the dominant mineral in the Earth's lower mantle. Previous studies have been completed to determine the physical and chemical characteristics of the pure end-member MgSiO3. Recent studies have shown that the addition of Al to MgSiO3 can have a significant effect on the material properties of the mineral, such as compressibility, and defect structure, as well as a great potential to dissolve water. We have synthesized Al-bearing perovskite samples under hydrous conditions in a multi-anvil apparatus at pressures ranging from 23-26 GPa and 1800oC. The starting materials consisted of brucite and silica powders mixed together and finely ground in a 1:1 molar ratio, with subsequent addition of Al2O3 powder at 2wt% intervals from 0%-6%. The mixed powders were tightly packed in Au capsules, housed in BN sleeves, and loaded into standard 8/3 multi-anvil assemblies. The experiments were brought to the appropriate pressure conditions for solubility of the different Al2O3 contents. The resulting perovskite crystals range in size from <20 microns to >100 microns in size. Their major element chemistry has been characterized by EPMA, and the H content of some samples has been measured by secondary ion mass spectrometry using a 6f Cameca ion microprobe and is substantial (>1200ppm in some samples). In this study, we correlate H content in the perovskites with Al concentration, and discussion follows on what effects this may have on potential substitution mechanisms, and correlated formation of oxygen vacancies, as well as water storage in the mantle, oxygen diffusion, and the potential of an oxygen ionic diffusion contribution to electrical conductivity in the mantle.

  17. Calculation of the structure of the Al(331) stepped surface

    SciTech Connect

    Nelson, J.S.; Feibelman, P.J. )

    1992-04-06

    Car-Parinello-like calculations have been used to compute the relaxation of the Al(331) surface, with results that are in remarkable agreement with the low-energy electron-diffraction analysis of Adams and So( )renson. Rapid screening of the steps on Al(331) is illustrated by comparing its charge density and relaxations to those of Al(110) and Al(111).

  18. Some TEM observations of Al2O3 scales formed on NiCrAl alloys

    NASA Technical Reports Server (NTRS)

    Smialek, J.; Gibala, R.

    1979-01-01

    The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids have been observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. It was postulated that the voids resulted from an excess number of oxygen vacancies near the oxide-metal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidations of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al,Cr)2O3 and Ni(Al,Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationships between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

  19. Electrical defects in AlGaN and InAlN

    NASA Astrophysics Data System (ADS)

    Johnstone, D.; Leach, Jacob H.; Kovalskii, Vladimir A.; Fan, Qian; Xie, Jingqiao; Morkoç, Hadis

    2009-02-01

    Compound semiconductors based on GaN have multiple functional applications. Useful compositions include GaN, and ternary and quaternary compositions of (AlGaIn)N. Defects arising from lattice mismatch, point defects, or impurities may act as electrical trapping centers and degrade device efficiency. Current-voltage, capacitance-voltage, thermal admittance spectroscopy (TAS), and deep level transient spectroscopy (DLTS) measurements are applied to characterize the defects in Al0.40Ga0.80N and In0.18Al0.82N in this report. Broad peaks with a shoulder at high temperature dominate the DLTS spectra in each of the materials. An acceptor trap associated with a dislocation appears at 340 K in AlGaN. The defect has an energy of 0.2 eV and capture cross section of 10-21 cm2. A second trap at 0.35 eV, 10-14 cm2 appears in the TAS measurements in addition to the trap at 0.2 eV. Defects in InAlN are dominated by a peak near 150 K. Two traps appear in the TAS measurements. Both traps in the InAlN are acceptors, based on a lack of field dependent emission rates using double pulse DLTS (DDLTS). The two energy levels in InAlN appear to be coupled, with only one state occupied at a time.

  20. Some TEM observations of Al2O3 scales formed on NiCrAl alloys

    NASA Technical Reports Server (NTRS)

    Smialek, J.; Gibala, R.

    1979-01-01

    The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.

  1. Thermoelectric Powers of Cells With NaF-AlF3-Al2O3 Melts

    NASA Astrophysics Data System (ADS)

    Flem, Belinda E.; Xu, Qian; Kjelstrup, Signe; Sterten, Åsmund

    2001-07-01

    A thermodynamic description of the Peltier heat at the aluminum and the oxygen electrode in the system NaF-AlF3-Al2O3 is given. The thermoelectric power in melts with molar ratios n NaF/n AlF3 from 3.0 to 1.0, saturated with alumina are measured. Seebeck coefficients for molten fluoride electrolytes saturated with alumina, electrolytes that are relevant for aluminum electrowinning electrolysis cells, are reported. The results allow determinations of Peltier heats of aluminum, oxygen and carbon electrodes in NaF-AlF3 electrolytes saturated with alumina. For molar ratios of n NaF/n AlF3 between 2.6 and 1.2, there is a Peltier heating of the aluminum cathode. This heating is in the same order of magnitude as the electrolyte Joule heat, when the current density is 0.7 A cm-2. For molar ratio n NaF/n AlF3 equal to 1.0 the Peltier effect at the aluminum electrode approaches zero. From theoretical considerations we expect a drop also for molar ratio 3.0. For the anode we report a Peltier cooling that is larger than the heat produced by the anodic overvoltage, in melts with NaF/AlF3 molar ratio between 2.6 and 1.2 saturated with alumina.

  2. High noise suppression using magnetically isotropic (CoFe-AlN)/(AlN) multilayer films

    NASA Astrophysics Data System (ADS)

    Kijima, Hanae; Ohnuma, Shigehiro; Masumoto, Hiroshi; Shimada, Yutaka; Endo, Yasushi; Yamaguchi, Masahiro

    2015-05-01

    Magnetically isotropic (CoFe-AlN)n/(AlN)n+1 multilayer films, in which the number of CoFe-AlN magnetic layers n ranged from 1 to 27, were prepared by radio frequency sputtering to achieve noise suppression at gigahertz frequencies. The soft CoFe-AlN magnetic layers consisted of nanometer-sized CoFe ferromagnetic grains embedded in an insulating AlN amorphous matrix, while the insulating AlN layers comprised AlN columnar crystals. All films showed a similar frequency dependence of permeability and ferromagnetic resonance of 1.7 GHz. Noise suppression was evaluated using a microstrip line as a noise source by determining the in-line conductive loss and the near-field intensity picked up by magnetic field detective probes. High noise suppression effects were observed in every direction in the film plane. Maximum noise suppression values amounted to 60% for the in-line conductive loss and -20 dB for the magnetic near-field intensity at around 1.7 GHz in the 27-layer film. These high-frequency noise suppression levels may be attributed to eddy current losses and ferromagnetic resonance.

  3. A 25-year replication of Katz et al.'s (1988) metaphor norms.

    PubMed

    Campbell, Spencer J; Raney, Gary E

    2016-03-01

    Research in metaphor processing has made extensive use of the normed metaphor database created by Katz, Paivio, Marschark, & Clark (Metaphor and Symbolic Activity, 3, 191-214, 1988). Because of the plasticity of figurative language, we conducted a renorming of selected metaphors from the database on a new student population. Correlations between Katz et al.'s and the present data showed that the pattern of responses has remained highly consistent across time and populations. The consistency of the normative ratings allows us to be confident in future research that will use the Katz et al. collection. PMID:25772671

  4. Ferromagnetic ordering in NpAl2: Magnetic susceptibility and 27Al nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Martel, L.; Griveau, J.-C.; Eloirdi, R.; Selfslag, C.; Colineau, E.; Caciuffo, R.

    2015-08-01

    We report on the magnetic properties of the neptunium based ferromagnetic compound NpAl2. We used magnetization measurements and 27Al NMR spectroscopy to access magnetic features related to the paramagnetic and ordered states (TC=56 K). While very precise DC SQUID magnetization measurements confirm ferromagnetic ordering, they show a relatively small hysteresis loop at 5 K reduced with a coercive field HCo~3000 Oe. The variable offset cumulative spectra (VOCS) acquired in the paramagnetic state show a high sensitivity of the 27Al nuclei spectral parameters (Knight shifts and line broadening) to the ferromagnetic ordering, even at room temperature.

  5. Revisiting Deng et al.'s Multiparty Quantum Secret Sharing Protocol

    NASA Astrophysics Data System (ADS)

    Hwang, Tzonelih; Hwang, Cheng-Chieh; Yang, Chun-Wei; Li, Chuan-Ming

    2011-09-01

    The multiparty quantum secret sharing protocol [Deng et al. in Chin. Phys. Lett. 23: 1084-1087, 2006] is revisited in this study. It is found that the performance of Deng et al.'s protocol can be much improved by using the techniques of block-transmission and decoy single photons. As a result, the qubit efficiency is improved 2.4 times and only one classical communication, a public discussion, and two quantum communications between each agent and the secret holder are needed rather than n classical communications, n public discussions, and 3n/2 quantum communications required in the original scheme.

  6. Low cycle fatigue of FeAl(42 at. % Al) at room temperature

    SciTech Connect

    Hanes, D.B.; Gibala, R.

    1997-12-31

    The monotonic mechanical behavior in tension and compression of FeAl has been well documented. However, very little work has been done on the cyclic deformation behavior of this material. In this work, the behavior of FeAl (42 at. % Al) under low cycle fatigue was studied, including the effects of test environments and surface coatings. It was found that the fatigue life of this alloy is limited by environmental embrittlement. This embrittlement process can be equally well prevented by deformation in an oxygen environment or by coating the alloy with a protective film. The type of film applied appears to have little effect. Similar results were seen in monotonic testing.

  7. Al-based metal matrix composites reinforced with nanocrystalline Al-Ti-Ni particles

    NASA Astrophysics Data System (ADS)

    Scudino, S.; Ali, F.; Surreddi, K. B.; Prashanth, K. G.; Sakaliyska, M.; Eckert, J.

    2010-07-01

    Al-based metal matrix composites containing different volume fractions of nanocrystalline Al70Ti20Ni10 reinforcing particles have been produced by powder metallurgy and the effect of the volume fraction of reinforcement on the mechanical properties of the composites has been studied. Room temperature compression tests reveal a considerable improvement of the mechanical properties as compared to pure Aluminum. The compressive strength increases from 155 MPa for pure Al to about 200 and 240 MPa for the samples with 20 and 40 vol.% of reinforcement, respectively, while retaining appreciable plastic deformation with a fracture strain ranging between 43 and 28 %.

  8. Adherent Al2O3 scales formed on undoped NiCrAl alloys

    NASA Technical Reports Server (NTRS)

    Smialek, James L.

    1987-01-01

    Changes in the spalling behavior of Al2O3 scales formed on an undoped NiCrAl alloy are described. Two samples of Ni-15Cr-13Al (wt pct), one a control and the other sanded, were subjected to 25 oxidation cycles. It is observed that adherent scales formed on the sanded sample; however, the control sample had speckled, spalled scales. The data reveal that the adherent scales are caused by repeated removal of surface layers after each oxidation cycle. It is determined that interfacial segregation of sulfur influences spallation and sulfur removal increases bonding. The effect of moisture on scale adhesions is investigated.

  9. Atomic layer epitaxy of AlAs and AlGaAs

    NASA Astrophysics Data System (ADS)

    Meguro, T.; Iwai, S.; Aoyagi, Y.; Ozaki, K.; Yamamoto, Y.; Suzuki, T.; Okano, Y.; Hirata, A.

    1990-01-01

    Atomic layer epitaxy (ALE) of AlAs and AlGaAs with metalorganic vapor-phase epitaxy (MOVPE) under Ar-ion laser irradiation has been successfully realized in a triethylaluminum (TEA)/AsH 3 system for the first time. Comparison with the growth characteristics of MOVPE with alternative feeding modes of TMA/AsH 3 and TEA/AsH 3 is discussed. Application to laser-ALE of AlGaAs using a triethylgallium (TEG)/TEA/AsH 3 system is also discussed.

  10. On the crack growth resistance and strength of the B2 iron aluminides Fe-40Al, Fe-45Al, and Fe-10Ni-40Al (at. %)

    SciTech Connect

    Schneibel, J.H.; Maziasz, P.J.

    1994-09-01

    The crack growth resistance and yield strength of the B2 iron aluminides Fe-40Al, Fe-45Al, are Fe-10Ni-40Al (at. %) have been investigated at room temperature laboratory air. After fast cooling from 1273 K, Fe-45Al and Fe-10Ni-40Al are much stronger than Fe-40Al, and exhibit considerably lower crack growth resistance. The crack growth resistance decreases with decreasing crack propagation velocity. Low crack propagation velocities favor intergranular fracture, whereas high velocities can lead to significant contributions from transgranular fracture. Boron additions to Fe-40Al and Fe-10Ni-40Al improve the crack growth resistance, reduce its dependence on the crack propagation velocity, and cause the path to be predominantly transgranular. In a plot of fracture toughness versus yield strength, the properties of the iron aluminides are similar to those of typical aluminum alloys.

  11. Density of Low-Temperature KF-AlF3 Aluminum Baths with Al2O3 and AlPO4 Additives

    NASA Astrophysics Data System (ADS)

    Vasková, Zuzana; Kontrík, Martin; Mlynáriková, Jarmila; Boča, Miroslav

    2015-02-01

    The density of the KF-AlF3 melts of various KF and AlF3 ratio with Al2O3 and AlPO4 addition has been measured using the Archimedean method. On the basis of the obtained density data the molar volumes of the melts were calculated. These molar volumes decrease with concentration of Al2O3 or AlPO4. In the system containing AlPO4, the relation between cryolite ratios (CRs) vs slopes of molar volume trend lines was identified with excellent correlation factor of R 2 = 0.9844, while in the system containing Al2O3 a discontinuity at CR = 2.5 can be observed.

  12. [Assay of three kinds of aluminum fractions (Al(a), Al(b) and Al(c)) in polynuclear aluminum solutions by Al-Ferron timed spectrophotometry and demarcation of their time limits].

    PubMed

    Wang, Chen-yi; Zhang, Cai-hua; Bi, Shu-ping; Zhang, Zhen-chao; Yang, Wei-hua

    2005-02-01

    Al-Ferron timed spectrophotometry assay is a basic method in the study on the formation of polynuclear hydroxyl aluminum species and their transformation laws in aqueous systems. In actual working process, this methodology has some dogmatism and arbitrariness in the time limits demarcation of the three kinds of aluminum fractions (Al(a), Al(b) and Al(c)) in polynuclear aluminum solutions, which makes this kind of classification rougher, and the experimental results non-reproducible. The reason for this difference is that the specific species within Al(a), Al(b) and Al(c) have different reaction mechanism and dynamics, and that specific species of Al(b) having different OH/Al ratios have different reaction rates with ferron. In this paper, the ExpAssoc distribution was applied to quantitatively fit the Al-Ferron reaction dynamics curve, and the extrapolation method was used to survey the 1 min measured value [Al(a)] of monomeric Al, which is hard to obtain in manual manipulation. The time demarcation between Al(b) and Al(c) should reach the point of the experimental data curve up to horizontal platform. The microwave-radiated technology was used to fast assay the total aluminum concentration [Al(T)]. With these methods, the contents of monomeric Al(a), polynuclear Al(b) and gel Al(c) can be conveniently and quantitatively measured. It offers a novel method for surmounting the arbitrariness in the measurement of the three kinds of aluminum fractions and the repetitive calculation of Al(a) and Al(b). PMID:15852869

  13. Characterization of Al30 in commercial poly-aluminum chlorohydrate by solid-state (27)Al NMR spectroscopy.

    PubMed

    Phillips, Brian L; Vaughn, John S; Smart, Scott; Pan, Long

    2016-08-15

    Investigation of commercially produced hydrolysis salts of aluminum by solid-state (27)Al NMR spectroscopy and size-exclusion chromatography (SEC) reveals well-defined and distinct Al environments that can be related to physicochemical properties. (27)Al MAS and MQ-MAS NMR spectroscopic data show that the local structure of the solids is dominated by moieties that closely resemble the Al30 polyoxocation (Al30O8(OH)56(H2O)26(18+)), accounting for 72-85% of the total Al. These Al30-like clusters elute as several size fractions by SEC. Comparison of the SEC and NMR results indicates that the Al30-like clusters includes intact isolated clusters, moieties of larger polymers or aggregates, and possibly fragments resembling δ-Al13 Keggin clusters. The coagulation efficacy of the solids appears to correlate best with the abundance of intact Al30-like clusters and of smaller species available to promote condensation reactions. PMID:27232539

  14. Synthesis and characterization of Al-Zn/Al2O3 nano-powder composites.

    PubMed

    Durai, T G; Das, Karabi; Das, Siddhartha

    2007-06-01

    Composites consisting of Al-Zn/Al2O3 have been synthesized using high energy mechanical milling. High energy ball milling increases the sintering rate of the composite powder due to increased diffusion rate. Owing to the finer microstructure, the hardness of the sintered composite produced by using the mechanically milled nanocomposite powder is significantly higher than that of the sintered composite produced by using the as-mixed powder. The mean crystallite size of the matrix has been determined to be 27 nm by Scherrer equation using X-ray diffraction data. The powders have been characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and differential thermal analysis (DTA). The effect of high-energy ball milling and subsequent annealing on a mixture of Al and ZnO has also been investigated. DTA result show that the reaction temperature of Al-ZnO decreases with the increase in the ball milling time. PMID:17654976

  15. Rechargeable Al/Cl2 battery with molten AlCl4/-/ electrolyte.

    NASA Technical Reports Server (NTRS)

    Holleck, G. L.; Giner, J.; Burrows, B.

    1972-01-01

    A molten salt system based on Al- and Cl2 carbon electrodes, with an AlCl3 alkali chloride eutectic as electrolyte, offers promise as a rechargeable, high energy density battery which can operate at a relatively low temperature. Electrode kinetic studies showed that the electrode reactions at the Al anode were rapid and that the observed passivation phenomena were due to the formation at the electrode surface of a solid salt layer resulting from concentration changes on anodic or cathodic current flow. It was established that carbon electrodes were intrinsically active for chlorine reduction in AlCl3-alkali chloride melts. By means of a rotating vitreous carbon disk electrode, the kinetic parameters were determined.

  16. Nonstatistical fluctuations for deep inelastic processes in {sup 27}Al+{sup 27}Al collisions

    SciTech Connect

    Berceanu, I.; Duma, M.; Moisa, D.; Petrovici, M.; Pop, A.; Simion, V.; Zoppo, A. Del; D'Erasmo, G.; Imme, G.; Lanzano, G.; Pagano, A.; Pantaleo, A.; Raciti, G.

    2006-08-15

    The excitation functions (EFs) for different fragments produced in the {sup 27}Al+{sup 27}Al dissipative collisions have been measured in steps of 250 keV in the incident energy range 122-132 MeV. Deep inelastic processes have been selected by integrating events on a total kinetic energy loss window of 12 MeV between 20 and 32 MeV. Large fluctuations are observed in all the studied EFs. Large-channel cross-correlation coefficients confirm the nonstatistical origin of these fluctuations. The energy autocorrelation function (EAF) shows damped oscillation structure as expected when a dinuclear system with a lifetime [{tau}=(5.1{+-}2.1){center_dot}10{sup -21}s], similar with its revolution period (T=4.9{center_dot}10{sup -21}sec), is formed. From the periodicity of the EAF oscillations, information on the deformation of the {sup 27}Al+{sup 27}Al dinucleus is inferred.

  17. Formation of AlN in laser ablated plasma of Al in nitrogen ambient

    NASA Astrophysics Data System (ADS)

    Thareja, Raj K.; Sharma, A. K.

    2005-05-01

    We report on spectroscopic investigations of interaction of an expanding laser ablated plume of aluminum and graphite with nitrogen gas and the formation of AlN and CN. AlN and CN bands are formed by reactive process of ablated aluminum and graphite in ambient nitrogen pressures of 70 and 0.1 Torr and laser fluence of 500 and 12 Jcm-2 respectively. Images of the expanding plasma plume were captured using ICCD to understand the role of vapor and shock temperature in the formation of AlN. Instability observed in laser ablated plume at later times attributed to Rayleigh-Taylor instability could be the cause for weak AlN band observed in the emission spectrum.

  18. Fabrication and properties of functionally graded NiAl/Al2O3 composites

    NASA Technical Reports Server (NTRS)

    Miller, D. P.; Lannutti, J. J.; Noebe, R. D.

    1993-01-01

    A modified sedimentation process was used in the production of a functionally gradient material (FGM), NiAl/Al2O3. A simple finite element model was used to guide our design and fabrication efforts by estimating residual stress states as a function of composite structure. This approach could lead to tailored designs that enhance or avoid specific residual stress states. Thermal cycling tests were factored into the model to predict time dependent or steady-state internal temperature and stress profiles. Four-point bend tests were conducted to establish the mechanical load-displacement behavior of a single interlayer FGM at room temperature, 800 and 1000 K. Room temperature bend strength of the FGM was 3-4 times that of the base NiAl. At elevated temperatures, composite fracture occurred in a gradual, noncatastrophic mode involving NiAl retardation of a succession of cracks originating in the alumina face.

  19. 'Abd al-Rahman al-Sufi's 3-Step Magnitude System

    NASA Astrophysics Data System (ADS)

    Hafez, Ihsan; Stephenson, F. Richard; Orchiston, Wayne

    'Abd al-Rahmān al-ūfī's Book of the Fixed Stars dates from around AD 964 and is one of the most important medieval Arabic treatises on astronomy. In this paper we begin with a very brief introduction to the Book of the Fixed Stars. This book contains an extensive star catalogue that lists star coordinates and magnitude estimates for all of the Ptolemaic stars. However, in his book al-hūfī utilized three distinct intermediate magnitude values whereas Ptolemy only mentioned two. We believe that al-hūfī used what we have termed a '3-step intermediate magnitude system,' which is more accurate than Ptolemy's 2-step intermediate system. In this paper we examine in detail the accuracy of this unique 3-step system in comparison with Ptolemy's and modern magnitude values.

  20. Al Knight-shift measurement in the superconducting state of UNi 2Al 3

    NASA Astrophysics Data System (ADS)

    Ishida, K.; Tou, H.; Tateiwa, N.; Kitaoka, Y.; Sato, K. N.; Aso, N.; Geibel, C.; Steglich, F.

    2003-05-01

    We report 27Al Knight-shift (27K) measurement on a single-crystal UNi2Al3 that reveals a coexistence of superconductivity and a spin-density-wave (SDW) type of magnetic ordering (TSDW=4.5 K). The spin part of 27K, 27Ks does not change down to 50 mK across the superconducting (SC) transition temperature Tc∼0.9 K. In contrast with the isostructural compound UPd2Al3 (Tc∼2 K), which was identified to be a spin-singlet d-wave superconductor, the behavior of 27K strongly supports that UNi2Al3 belongs to a class of spin-triplet SC pairing state superconductor.

  1. Local stress-induced effects on AlGaAs/AlOx oxidation front shape

    SciTech Connect

    Chouchane, F.; Almuneau, G. Arnoult, A.; Lacoste, G.; Fontaine, C.; Cherkashin, N.

    2014-07-28

    The lateral oxidation of thick AlGaAs layers (>500 nm) is studied. An uncommon shape of the oxide tip is evidenced and attributed to the embedded stress distribution, inherent to the oxidation reaction. Experimental and numerical studies of the internal strain in oxidized Al{sub x}Ga{sub 1−x}As/GaAs structures were carried out by dark-field electron holography and finite element methods. A mapping of the strain distribution around the AlGaAs/oxide interface demonstrates the main role of internal stress on the shaping of the oxide front. These results demonstrate the high relevance of strain in oxide-confined III-V devices, in particular, with over-500-nm thick AlOx confinement layers.

  2. Interdiffusion in the Mg-Al system and Intrinsic Diffusion in (Al3Mg2) Phase

    SciTech Connect

    Brennan, Sarah; Bermudez, Katrina; Kulkarni, Nagraj S; Sohn, Yong Ho

    2011-01-01

    Increasing use and development of lightweight Mg-alloys have led to the desire for more fundamental research in and understanding of Mg-based systems. As a strengthening component, Al is one of the most important and common alloying elements for Mg-alloys. In this study, solid-to-solid diffusion couple techniques were employed to examine the interdiffusion between pure Mg and Al. Diffusion anneals were carried out at 300 , 350 , and 400 C for 720, 360, and 240 hours, respectively. Optical and scanning electron microscopies (SEM) were employed to observe the formation of the intermetallics -Al12Mg17 and -Al3Mg2, but not -phase. Concentration profiles were determined using X-ray energy dispersive spectroscopy (XEDS). The growth constants and activation energies were determined for each intermetallic phase.

  3. Simulation of aluminothermic smelting of Al-Zr and Al-Zr-Mo-Sn alloys

    NASA Astrophysics Data System (ADS)

    Larionov, A. V.; Chumarev, V. M.; Udoeva, L. Yu.; Mansurova, A. N.; Rylov, A. N.; Raikov, A. Yu.; Aleshin, A. P.; Trubachev, M. V.

    2013-09-01

    Aluminothermic smelting of Al-Zr and Al-Zr-Mo-Sn alloys has been simulated in terms of thermodynamics. The thermodynamic properties of molybdenum and zirconium intermetallic compounds are calculated. It is demonstrated that, with consideration for their formation, the calculated compositions of aluminothermic blends and the forecasted extraction of target metals into an alloy are in good agreement with the data obtained during pilot tests.

  4. Alkali metal adsorption on Al(111)

    NASA Astrophysics Data System (ADS)

    Andersen, J. N.; Lundgren, E.; Nyholm, R.; Qvarford, M.

    1993-06-01

    The submonolayer adsorption of Na, K, Rb, and Cs on the Al(111) surface at 100 K and at room temperature is investigated by high resolution core level spectroscopy and low energy electron diffraction. It is found that the first alkali atoms on the surface adsorb at surface defects. At higher coverages, up to approximately one third of the maximum submonolayer coverage, alkali atoms adsorbed at defects coexist with a dispersed phase. At higher coverages island formation is found to occur for the majority of the systems. It is argued that all of the ordered structures formed at room temperature involve a disruption of the Al(111) surface in contrast to the situation at 100 K where the alkali atoms adsorb as adatoms.

  5. Forging of FeAl intermetallic compounds

    SciTech Connect

    Flores, O.; Juarez, J.; Campillo, B.; Martinez, L.; Schneibel, J.H.

    1994-09-01

    Much activity has been concentrated on the development of intermetallic compounds with the aim of improving tensile ductility, fracture toughness and high notch sensitivity in order to develop an attractive combination of properties for high and low temperature applications. This paper reports experience in processing and forging of FeAl intermetallic of B2 type. During the experiments two different temperatures were employed, and the specimens were forged after annealing in air, 10{sup {minus}2} torr vacuum and argon. From the results it was learned that annealing FeAl in argon atmosphere prior to forging resulted in better deformation behavior than for the other two environments. For the higher forging temperature used in the experiments (700C), the as-cast microstructure becomes partially recrystallized.

  6. Observable Proxies For 26 Al Enhancement

    SciTech Connect

    Fryer, Christopher L; Young, Patrick A; Ellinger, Carola I; Arnett, William D

    2008-01-01

    We consider the cospatial production of elements in supernova explosions to find observationally detectable proxies for enhancement of {sup 26}Al in supernova ejecta and stellar systems. Using four progenitors we explore a range of 1D explosions at different energies and an asymmetric 3D explosion. We find that the most reliable indicator of the presence of {sup 26}Al in unmixed ejecta is a very low S/Si ratio ({approx} 0.05). Production of N in O/S/Si-rich regions is also indicative. The biologically important element P is produced at its highest abundance in the same regions. Proxies should be detectable in supernova ejecta with high spatial resolution multi wavelength observations, but the small absolute abundance of material injected into a proto-planetary disk makes detection unlikely in existing or forming stellar/planetary systems.

  7. Development of SiAlON materials

    NASA Technical Reports Server (NTRS)

    Layden, G. K.

    1979-01-01

    Cold pressing and sintering techniques were used to produce ceramic test specimens in which the major phase was either Si3N4 or a solid solution having the beta Si3N4 structure. Additional components were incorporated to promote liquid phase sintering. Glass and/or crystalline phase were consequently retained in boundaries between Si3N4 grains which largely determined the physical properties of the bodies. Systems investigated most extensively included R-Si-Al-O-N (R = rare earth element) Zr-Si-Al-O-N, Y-Si-Be-O-N, and R1-R2-Si-O-N. Room temperature and 1370 C modulus of ruptured, 1370 C creep, and oxidation behavior are discussed in terms of phase relationships in a parent quinery, and relavent oxide systems.

  8. Stress evolution during ultrasonic Al ribbon bonding

    NASA Astrophysics Data System (ADS)

    Ando, Masaya; Takashima, Kazumasa; Maeda, Masakatsu; Takahashi, Yasuo

    2014-08-01

    The present study reveals the stress distribution in the substrate during ultrasonic bonding. The deformations of the Si substrate, Al ribbon, and Al pad were numerically analyzed using a finite element method. Experimental observation of the interface using a highspeed video camera was also conducted to determine the actual interfacial slip amplitude. This amplitude becomes smaller than that of tool-tip with bonding time. It was suggested from the numerical simulations that frictional adhesion enhanced the friction force, resulting in an increase in the equivalent stress in the ribbon and pad. As a result, very large stresses occur in the substrate during ultrasonic bonding. These stresses evolve with the progress of ultrasonic bonding, i.e., frictional adhesion.

  9. 14th Annual ALS Users' Association meeting

    SciTech Connect

    Robinson, Art

    2001-11-29

    Sponsored by the Users' Executive Committee (UEC) and spread over three days from October 15-17, the fourteen annual ALS Users' Association Meeting featured an exceptional program with science as the main theme. While the first day was reserved for the traditional facility and Washington reports and for science highlights, the following two days, devoted to several workshops covering topics from theory to detectors, new experimental facilities, and forefront science, were strong draws. As a result, it should not be surprising that the number of registered attendees jumped to a record level of 352, more than 100 above the typical attendance in recent years. The successful commissioning of the long-awaited superconducting bend magnets, or superbends, in the ALS storage-ring lattice just before the meeting opened also helped stimulate interest.

  10. Antiferromagnetic behaviour of Tb2Al alloy

    NASA Astrophysics Data System (ADS)

    Rojas, D. P.; André, G.; Rodríguez Fernández, J.; Sánchez Marcos, J.; Fernández Barquín, L.; Echevarria, C.

    2011-10-01

    The structural, thermal and magnetic properties ol the Tb2Al alloy have been investigated by AC/DC magnetic susceptibility, specific heat, X-ray and neutron diffraction measurements. DC and AC-magnetic susceptibility results are consistent with an AFM order at TN = 52 K. The specific heat data show a lambda anomaly associated to the magnetic transition with a peak at 52 K (cord = 99 J/molTbK). The analysis of thermodiffractograms of neutron diffraction patterns indicates that, below the ordering temperature, the magnetic reflections can be indexed with a commensurate lattice related to the crystallographic cell (Pmna) by a propagation vector k = (1/2, 1/2, 1/2). The results are compared with those reported for other magnetic rare earth alloys of R2Al-type (with R = Nd, Gd and Dy).

  11. DFT study of Al doped armchair SWCNTs

    NASA Astrophysics Data System (ADS)

    Dhiman, Shobhna; Rani, Anita; Kumar, Ranjan; Dharamvir, Keya

    2016-05-01

    Electronic properties of endohedrally doped armchair single-walled carbon nanotubes (SWCNTs) with a chain of six Al atoms have been studied using ab-initio density functional theory. We investigate the binding energy/atom, ionization potential, electron Affinity and Homo-Lumo gap of doped armchair SWNTs from (4,4) to (6,6) with two ends open. BE/dopant atom and ionization potential is maximum for (6, 6) doped armchair carbon nanotube; suggest that it is more stable than (4, 4) and (5, 5) doped tubes. HOMO - LUMO gap of Al doped arm chair carbon nanotubes decreases linearly with the increase in diameter of the tube. This shows that confinement induce a strong effect on electronic properties of doped tubes. These combined systems can be used for future nano electronics. The ab-initio calculations were performed with SIESTA code using generalized gradient approximation (GGA).

  12. Polarized Cold Neutron Capture in ^27Al

    NASA Astrophysics Data System (ADS)

    Balascuta, Septimiu

    2013-04-01

    The NPDGamma Experiment at the Spallation Neutron Source at ORNL is measuring the parity-odd correlation between the neutron spin and the direction of the emitted photon in the capture of cold neutrons on a 16-liter liquid parahydrogen target. The goal is to determine the strength of the weak nucleon-nucleon interaction. One of the main background contributions comes from the gamma rays produced by neutrons captured in the Al walls of the target vessel. To quantify this effect a commissioning experiment measured the parity-odd and parity-even asymmetries in the angular distribution of the gamma rays from the capture of polarized cold neutrons in a solid Al target. A status of the analysis of this experiment will be presented.

  13. Ni{sub 3}Al technology transfer

    SciTech Connect

    Sikka, V.K.; Viswanathan, S.; Santella, M.L.

    1997-04-01

    Ductile Ni{sub 3}Al and Ni{sub 3}Al-based alloys have been identified for a range of applications. These applications require the use of material in a variety of product forms such as sheet, plate, bar, wire, tubing, piping, and castings. Although significant progress has been made in the melting, casting, and near-net-shape forming of nickel aluminides, some issues still remain. These include the need for: (1) high-strength castable composition for many applications that have been identified; (2) castability (mold type, fluidity, hot-shortness, porosity, etc.); (3) weld reparability of castings; and (4) workability of cast or powder metallurgy product to sheet, bar, and wire. The four issues listed above can be {open_quotes}show stoppers{close_quotes} for the commercial application of nickel aluminides. This report describes the work completed to address some of these issues during FY 1996.

  14. Ni{sub 3}Al technology transfer

    SciTech Connect

    Sikka, V.K.; Santella, M.L.; Alexander, D.J.

    1995-05-01

    Ductile Ni{sub 3}Al and Ni{sub 3}Al-based alloys have been identified for a range of applications. These applications require the use of material in a variety of product forms such as sheet, plate, bar, tubing, piping, and castings. Although significant progress has been made in the melting, casting, and near-net-shape forming of nickel aluminides, some issues still remain. These include the need for (1)high-strength castable composition for turbochargers, furnace furniture, and hot-die applications; (2) castability (fluidity, hot-shortness, porosity, etc.); (3) weld reparability of castings; and (4) hot fabricability of cast ingots. All of the issues listed above can be {open_quotes}show stoppers{close_quotes} for the commercial application of nickel aluminides. This report describes work completed to address some of these issues during the fourth quarter of FY 1994.

  15. Psychosocial adjustment to ALS: a longitudinal study

    PubMed Central

    Matuz, Tamara; Birbaumer, Niels; Hautzinger, Martin; Kübler, Andrea

    2015-01-01

    For the current study the Lazarian stress-coping theory and the appendant model of psychosocial adjustment to chronic illness and disabilities (Pakenham, 1999) has shaped the foundation for identifying determinants of adjustment to ALS. We aimed to investigate the evolution of psychosocial adjustment to ALS and to determine its long-term predictors. A longitudinal study design with four measurement time points was therefore, used to assess patients' quality of life, depression, and stress-coping model related aspects, such as illness characteristics, social support, cognitive appraisals, and coping strategies during a period of 2 years. Regression analyses revealed that 55% of the variance of severity of depressive symptoms and 47% of the variance in quality of life at T2 was accounted for by all the T1 predictor variables taken together. On the level of individual contributions, protective buffering, and appraisal of own coping potential accounted for a significant percentage in the variance in severity of depressive symptoms, whereas problem management coping strategies explained variance in quality of life scores. Illness characteristics at T2 did not explain any variance of both adjustment outcomes. Overall, the pattern of the longitudinal results indicated stable depressive symptoms and quality of life indices reflecting a successful adjustment to the disease across four measurement time points during a period of about two years. Empirical evidence is provided for the predictive value of social support, cognitive appraisals, and coping strategies, but not illness parameters such as severity and duration for adaptation to ALS. The current study contributes to a better conceptualization of adjustment, allowing us to provide evidence-based support beyond medical and physical intervention for people with ALS. PMID:26441696

  16. Response to de la Iglesia et al.

    PubMed

    Yetish, Gandhi; Kaplan, Hillard; Gurven, Michael; Wood, Brian; Pontzer, Herman; Manger, Paul R; Wilson, Charles; McGregor, Ronald; Siegel, Jerome M

    2016-04-01

    We wish to respond to the commentary of de la Iglesia et al. [1]. Studies comparing sleep in different communities have different goals. One frequent goal has been to determine how sleep is affected by manipulating specific 'modern' conditions. Many studies have investigated the effect of artificial light and electronic entertainment. Such studies have clearly shown that light, particularly blue light, delays sleep onset [2]. Studying the effect of artificial light on sleep was not a goal of our study. PMID:27046810

  17. Redistribution of Ti and Al in deuterium charged TiAl

    NASA Technical Reports Server (NTRS)

    Legzdina, D.; Robertson, I. M.; Birnbaum, H. K.

    1992-01-01

    The redistribution of titanium and aluminum in a single-phase TiAl alloy that has been exposed to a high pressure of deuterium gas at high temperature is studied. The microstructure in the as-received, uncharged condition consisted of single-phase gamma TiAl grains and a random distribution of precipitates. Precipitates were distributed throughout the matrix and along the grain boundaries. The chemistry of the precipitates varied considerably; some were rich in Al, while other were mostly Ti with some Si and Al. The dislocation density in most grains was low, although in a few grains a high dislocation density was observed. FCC deuterides with a lattice parameter of 0.45 nm form in a Ti-52.1Al-2.1Ta (at. pct) alloy after exposure to 1.38 MPa of deuterium gas at 650 C for 213 hr. The structure and lattice parameter are consistent with the formation of Ti(l)D2. The deuterides that form in this alloy are enriched in Ti and deficient in Al and Ta compared to the deuteride-free matrix. Regions of the matrix contiguous with the deuterides have a correspondingly enhanced aluminum and tantalum concentration.

  18. Softening Kinetics in High Al and High Al-Nb-Microalloyed Steels

    NASA Astrophysics Data System (ADS)

    Pereda, B.; Aretxabaleta, Z.; López, B.

    2015-03-01

    Double-hit torsion tests were performed in order to study the effect of high Al levels (up to 2 wt.%) and Nb microalloying (up to 0.07 wt.%) on the static softening kinetics of 0.2%C-2%Mn steels. The addition of 1%Al leads to a delay in the softening kinetics due to solute-drag effect, equivalent to that exerted by 0.027%Nb. For the 2%Al steels, at temperatures below 1000 °C, γ → α phase transformation occurs after deformation, resulting in a larger retardation of the softening kinetics. At temperatures higher than 1000 °C, Nb in solid solution also contributes to the retardation of the static softening kinetics, and at lower temperatures NbC strain-induced precipitation leads to incomplete softening for the 1%Al steel, and to a complex interaction between softening, phase transformation, and NbC strain-induced precipitation for the 2%Al-Nb steels. The effect of Al on the static softening kinetics was quantified and introduced in a model developed in previous works for the prediction of the austenite microstructural evolution. In order to validate the results of the model, multipass torsion tests were carried out at conditions representative of hot strip and plate rolling mills. Model predictions show reasonable agreement with the results obtained at different deformation conditions.

  19. A comparative wear study on Al-Li and Al-Li/SiC composite

    SciTech Connect

    Okumus, S. Cem Karslioglu, Ramazan Akbulut, Hatem

    2013-12-16

    Aluminum-lithium based unreinforced (Al-8090) alloy and Al-8090/SiCp/17 vol.% metal matrix composite produced by extrusion after spray co-deposition. A dry ball-on disk wear test was carried out for both alloy and composite. The tests were performed against an Al{sub 2}O{sub 3} ball, 10 mm in diameter, at room temperature and in laboratory air conditions with a relative humidity of 40-60%. Sliding speed was chosen as 1.0 ms{sup −1} and normal loads of 1.0, 3.0 and 5.0 N were employed at a constant sliding distance of 1000 m. The wear damage on the specimens was evaluated via measurement of wear depth and diameter. Microstructural and wear characterization was carried out via scanning electron microscopy (SEM). The results showed that wear loss of the Al-8090/SiC composite was less than that of the Al-8090 matrix alloy. Plastic deformation observed on the wear surface of the composite and the matrix alloy, and the higher the applied load the greater the plastic deformation. Scanning electron microscopy examinations of wear tracks also reveal that delamination fracture was the dominant wear mechanism during the wear progression. Friction coefficient was maximum at the low applied load in the case of the Al-8090/SiC composite while a gradual increase was observed with applied load for the matrix alloy.

  20. A comparative wear study on Al-Li and Al-Li/SiC composite

    NASA Astrophysics Data System (ADS)

    Okumus, S. Cem; Karslioglu, Ramazan; Akbulut, Hatem

    2013-12-01

    Aluminum-lithium based unreinforced (Al-8090) alloy and Al-8090/SiCp/17 vol.% metal matrix composite produced by extrusion after spray co-deposition. A dry ball-on disk wear test was carried out for both alloy and composite. The tests were performed against an Al2O3 ball, 10 mm in diameter, at room temperature and in laboratory air conditions with a relative humidity of 40-60%. Sliding speed was chosen as 1.0 ms-1 and normal loads of 1.0, 3.0 and 5.0 N were employed at a constant sliding distance of 1000 m. The wear damage on the specimens was evaluated via measurement of wear depth and diameter. Microstructural and wear characterization was carried out via scanning electron microscopy (SEM). The results showed that wear loss of the Al-8090/SiC composite was less than that of the Al-8090 matrix alloy. Plastic deformation observed on the wear surface of the composite and the matrix alloy, and the higher the applied load the greater the plastic deformation. Scanning electron microscopy examinations of wear tracks also reveal that delamination fracture was the dominant wear mechanism during the wear progression. Friction coefficient was maximum at the low applied load in the case of the Al-8090/SiC composite while a gradual increase was observed with applied load for the matrix alloy.

  1. FeAl and NbAl3 Intermetallic-HVOF Coatings: Structure and Properties

    NASA Astrophysics Data System (ADS)

    Guilemany, J. M.; Cinca, N.; Dosta, S.; Cano, I. G.

    2009-12-01

    Transition metal aluminides in their coating form are currently being explored in terms of resistance to oxidation and mechanical behavior. This interest in transition metal aluminides is mainly due to the fact that their high Al content makes them attractive for high-temperature applications. This is also a reason to study their resistance to wear; they may be suitable for use in applications that produce a lot of wear in aggressive environments, thus replacing established coating materials. In this study, the microstructure, microhardness, and wear and oxidation performance of FeAl and NbAl3 coatings produced by high-velocity oxy-fuel spraying are evaluated with two main aims: (i) to compare these two coating systems—a commonly studied aluminide (FeAl) and, NbAl3, an aluminide whose deposition by thermal spraying has not been attempted to date—and (ii) to analyze the relationship between their microstructure, composition and properties, and so clarify their wear and oxidation mechanisms. In the present study, the higher hardness of niobium aluminide coatings did not correlate with a higher wear resistance and, finally, although pesting phenomena (disintegration in oxidizing environments) were already known of in bulk niobium aluminides, here their behavior in the coating form is examined. It was shown that such accelerated oxidation was inevitable with respect to the better resistance of FeAl, but further improvements are foreseen by addition of alloying elements in that alloy.

  2. Room Temperature Radiolytic Synthesized Cu@CuAlO2-Al2O3 Nanoparticles

    PubMed Central

    Abedini, Alam; Saion, Elias; Larki, Farhad; Zakaria, Azmi; Noroozi, Monir; Soltani, Nayereh

    2012-01-01

    Colloidal Cu@CuAlO2-Al2O3 bimetallic nanoparticles were prepared by a gamma irradiation method in an aqueous system in the presence of polyvinyl pyrrolidone (PVP) and isopropanol respectively as a colloidal stabilizer and scavenger of hydrogen and hydroxyl radicals. The gamma irradiation was carried out in a 60Co gamma source chamber with different doses up to 120 kGy. The formation of Cu@CuAlO2-Al2O3 nanoparticles was observed initially by the change in color of the colloidal samples from colorless to brown. Fourier transform infrared spectroscopy (FTIR) confirmed the presence of bonds between polymer chains and the metal surface at all radiation doses. Results of transmission electron microscopy (TEM), energy dispersive X-ray spectrometry (EDX), and X-ray diffraction (XRD) showed that Cu@CuAlO2-Al2O3 nanoparticles are in a core-shell structure. By controlling the absorbed dose and precursor concentration, nanoclusters with different particle sizes were obtained. The average particle diameter increased with increased precursor concentration and decreased with increased dose. This is due to the competition between nucleation, growth, and aggregation processes in the formation of nanoclusters during irradiation. PMID:23109893

  3. Anomalous phonon properties in the silicide superconductors CaAlSi and SrAlSi

    NASA Astrophysics Data System (ADS)

    Kuroiwa, S.; Hasegawa, T.; Kondo, T.; Ogita, N.; Udagawa, M.; Akimitsu, J.

    2008-11-01

    Lattice-dynamical properties of CaAlSi and SrAlSi with a similar layer structure to MgB2 have been first investigated by both Raman-scattering and ab initio calculations. All Raman-active phonons with E' symmetry have been clearly observed for both compounds. Their line shapes are asymmetric but their linewidths are ˜10cm-1 , which is very narrower than that of MgB2 . In addition to the Raman-active modes, several extra peaks have been observed below 160cm-1 . These low-energy extra modes can be assigned to the out-of-plane vibrations of Al perpendicular to Al-Si basal plane. Since these peak intensities are strongly affected by the incident energy (resonance Raman process), the electronic state is important for them. Moreover, in both crystals of CaAlSi and SrAlSi, we point out the energy difference for the different propagation directions along the c axis and the c plane, in spite of the very close wave vector to the Brillouin-zone center. This energy difference cannot be explained by a usual Raman-scattering scenario at this stage.

  4. Redistribution of Ti and Al in deuterium charged TiAl

    SciTech Connect

    Legzdina, D.; Robertson, I.M.; Birnbaum, H.K. )

    1992-06-01

    The redistribution of titanium and aluminum in a single-phase TiAl alloy that has been exposed to a high pressure of deuterium gas at high temperature is studied. The microstructure in the as-received, uncharged condition consisted of single-phase gamma TiAl grains and a random distribution of precipitates. Precipitates were distributed throughout the matrix and along the grain boundaries. The chemistry of the precipitates varied considerably; some were rich in Al, while other were mostly Ti with some Si and Al. The dislocation density in most grains was low, although in a few grains a high dislocation density was observed. FCC deuterides with a lattice parameter of 0.45 nm form in a Ti-52.1Al-2.1Ta (at. pct) alloy after exposure to 1.38 MPa of deuterium gas at 650 C for 213 hr. The structure and lattice parameter are consistent with the formation of Ti(l)D2. The deuterides that form in this alloy are enriched in Ti and deficient in Al and Ta compared to the deuteride-free matrix. Regions of the matrix contiguous with the deuterides have a correspondingly enhanced aluminum and tantalum concentration. 10 refs.

  5. Diet and dietetics in al-Andalus.

    PubMed

    Salas-Salvadó, Jordi; Huetos-Solano, Maria D; García-Lorda, Pilar; Bulló, Mònica

    2006-08-01

    Al-Andalus society (711-1492) based its idea of health on the wisdom of Classical Greece, the Hippocratic-Galenic theories, as well as the Persian and Hindu cultures. The twelfth century in al-Andalus is considered to be the most prolific period for works of a scientific and technical nature. At the time, the main treatises on dietetics were written and this science reached its widest expression with such leading figures as Ibn Wāfīd, Avenzoar, Averroes and Maimonides, whose works revealed the first scientific knowledge on the nutritional processes of the human body. Diet was regarded as being essential for health and the prevention of disease. Dietary guidelines were written for different age groups, different body types and different seasons of the year. The amount of food to be ingested, the number of meals recommended and the order in which the food should be consumed were all issues that were discussed. A variety of foods were thought to have medicinal properties, some of which are known today. The diet in al-Andalus was varied and very probably made a substantial contribution to the origin of the present-day Mediterranean diet, rich in olive oil, wholemeal cereals, fruit and vegetables, fish, lamb, poultry, nuts and spices. We also find that many of the terms in current use in diet and agriculture are a living testimony to the Arabic influence, as are many of the dishes of our varied Mediterranean gastronomy. PMID:16923240

  6. Energetic ion bombarded Fe/Al multilayers

    SciTech Connect

    Al-Busaidy, M.S.; Crapper, M.D.

    2006-05-15

    The utility of ion-assisted deposition is investigated to explore the possibility of counteracting the deficiency of back-reflected current of Ar neutrals in the case of lighter elements such as Al. A range of energetically ion bombarded Fe/Al multilayers sputtered with applied surface bias of 0, -200, or -400 V were deposited onto Si(111) substrates in an argon atmosphere of 4 mTorr using a computer controlled dc magnetron sputtering system. Grazing incidence reflectivity and rocking curve scans by synchrotron x rays of wavelength of 1.38 A were used to investigate the structures of the interfaces produced. Substantial evidence has been gathered to suggest the gradual suppression of interfacial mixing and reduction in interfacial roughness with increases of applied bias. The densification of the Al microstructure was noticeable and may be a consequence of resputtering attributable to the induced ion bombardment. The average interfacial roughnesses were calculated for the 0, -200, and -400 V samples to be 7{+-}0.5, 6{+-}0.5, and 5{+-}0.5 A respectfully demonstrating a 30% improvement in interface quality. Data from rocking curve scans point to improved long-range correlated roughness in energetically deposited samples. The computational code based on the recursive algorithm developed by Parratt [Phys. Rev. 95, 359 (1954)] was successful in the simulation of the specular reflectivity curves.

  7. Lower motor neuron dysfunction in ALS.

    PubMed

    de Carvalho, Mamede; Swash, Michael

    2016-07-01

    In the motor system there is a complex interplay between cortical structures and spinal cord lower motor neurons (LMN). In this system both inhibitory and excitatory neurons have relevant roles. LMN loss is a marker of motor neuron disease/amyotrophic lateral sclerosis (MND/ALS). Conventional needle electromyography (EMG) does not allow LMN loss to be quantified. Measurement of compound muscle action potential (CMAP) amplitude or area, and the neurophysiological index, provide a surrogate estimate of the number of functional motor units. Increased motor neuronal excitability is a neurophysiological marker of ALS in the context of a suspected clinical and electrophysiological diagnosis. In the LMN system, fasciculation potentials (FPs) are the earliest changes observed in affected muscles, a feature of LMN hyperexcitability. Reinnervation is best investigated by needle EMG although other methods can be explored. Moreover needle EMG give information about the temporal profile of the reinnervation process, important ancillary data. Quantitative motor unit potential analysis is a valuable method of evaluating reinnervation. The importance of FPs has been recognized in the Awaji criteria for the electrodiagnosis of ALS, criteria that are a sensitive adjunct to the revised El Escorial criteria. Finally, functionality of LMN's, and perhaps excitability studies in motor nerves, aids understanding of the disease process, allowing measurement of potential treatment effects in clinical trials. Other investigational techniques, such as electrical impedance myography, muscle and nerve ultrasound, and spinal cord imaging methods may prove useful in future. PMID:27117334

  8. Complete fusion of 15N+27Al

    NASA Astrophysics Data System (ADS)

    Prosser, F. W., Jr.; Racca, R. A.; Daneshvar, K.; Geesaman, D. F.; Henning, W.; Kovar, D. G.; Rehm, K. E.; Tabor, S. L.

    1980-05-01

    The total fusion cross section for the system 15N + 27Al has been measured over an energy range 27 MeV<=Elab<=70 MeV by detection of the fusion-evaporation residues. In addition elastic scattering was measured at six energies and fitted by optical model calculations. The fusion cross section for the system saturates at 1150+/-50 mb. The data can be well described by the model of Glas and Mosel, using a reasonable set of parameters. The model of Horn and Ferguson also describes the data well if an appropriate charge radius is used. Comparison is made between these results and the fusion cross sections for 16O + 26Mg and 18O + 24Mg, which lead to the same compound nucleus. The results for 15N + 27Al are quite similar to those for 18O + 24Mg, and the differences between the fusion cross sections for these two systems and those for 16O + 26Mg may be evidence for an entrance channel effect. NUCLEAR REACTIONS 15N+27Al, Elab=27-70 MeV; measured σfusion(E) measured dσdΩ elastic scattering; data fitted with Glas and Mosel model, Horn and Ferguson model.

  9. Solidification Behavior of gamma'-Ni3Al Containing Alloys in the Ni-Al-O System

    NASA Technical Reports Server (NTRS)

    Copland, Evan

    2007-01-01

    The chemical activities of Al and Ni in gamma(prime)-Ni3Al-containing systems were measured using the multi-cell Knudsen effusion-cell mass spectrometry technique (multi-cell KEMS), over the composition range 8 - 32 at.%Al and temperature range T = 1400 - 1750 K. From these measurements a better understanding of the equilibrium solidification behaviour of gamma(prime)-Ni3Al-containing alloys in the Ni-Al-O system was established. Specifically, these measurements revealed that (1) gamma(prime)-Ni3Al forms via the peritectiod reaction, gamma + Beta (+ A12O3) = gamma (prime) (+ Al2O3), at 1633 +/- 1 K, (2) the {gamma + Beta + Al2O3} phase field is stable over the temperature range 1633 through 1640 K, and (3) equilibrium solidification occurs by the eutectic reaction, L (+ Al2O3) = gamma + Beta (+ Al2O3), at 1640 +/- 1 K and a liquid composition of 24.8 +/- 0.2 at.%Al (at an unknown oxygen content). When projected onto the Ni-Al binary, this behaviour is inconsistent with the current Ni-Al phase diagram and a new diagram is proposed. This new Ni-Al phase diagram explains a number of unusual steady-state solidification structures reported previously and provides a much simpler reaction scheme in the vicinity of the gamma(prime)-Ni3Al phase field.

  10. Creep and Toughness of Cryomilled NiAl Containing Cr

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel; Aikin, Beverly; Salem, Jon

    2000-01-01

    NiAl-AlN + Cr composites were produced by blending cryomilled NiAl powder with approx. 10 vol % Cr flakes. In comparison to the as-consolidated matrices, hot isostatically pressed Cr-modified materials did not demonstrate any significant improvement in toughness. Hot extruded NiAl-AlN+10.5Cr, however, possessed a toughness twice that determine for the base NiAl-AlN alloy. Measurement of the 1200 to 1400 K plastic flow properties revealed that the strength of the composites was completely controlled by the properties of the NiAl-AlN matrices. This behavior could be successfully modeled by the Rule-of-Mixtures, where load is shed from the weak Cr to the strong matrix.

  11. The oxidation of Ni-rich Ni-Al intermetallics

    NASA Technical Reports Server (NTRS)

    Doychak, J.; Smialek, J. L.; Barrett, C. A.

    1989-01-01

    The oxidation of Ni-Al intermetallic alloys in the beta-NiAl phase field and in the two phase beta-NiAl/gamma'-Ni3Al phase field has been studied between 1000 and 1400 C. The stoichiometric beta-NiAl alloy doped with Zr was superior to other alloy compositions under cyclic and isothermal oxidation. The isothermal growth rates did not increase monotonically as the alloy Al content was decreased. The characteristically ridged alpha-Al203 scale morphology, consisting of cells of thin, textured oxide with thick growth ridges at cell boundaries, forms on oxidized beta-NiAl alloys. The correlation of scale features with isothermal growth rates indicates a predominant grain boundary diffusion growth mechanism. The 1200 C cyclic oxidation resistance decreases near the lower end of the beta-NiAl phase field.

  12. The oxidation of Ni-rich Ni-Al intermetallics

    NASA Technical Reports Server (NTRS)

    Doychak, Joseph; Smialek, James L.; Barrett, Charles A.

    1988-01-01

    The oxidation of Ni-Al intermetallic alloys in the beta-NiAl phase field and in the two phase beta-NiAl/gamma'-Ni3Al phase field has been studied between 1000 and 1400 C. The stoichiometric beta-NiAl alloy doped with Zr was superior to other alloy compositions under cyclic and isothermal oxidation. The isothermal growth rates did not increase monotonically as the alloy Al content was decreased. The characteristically ridged alpha-Al2O3 scale morphology, consisting of cells of thin, textured oxide with thick growth ridges at cell boundaries, forms on oxidized beta-NiAl alloys. The correlation of scale features with isothermal growth rates indicates a predominant grain boundary diffusion growth mechanism. The 1200 C cyclic oxidation resistance decreases near the lower end of the beta-NiAl phase field.

  13. The Nature of Interfaces in Al-1050/Al-1050 and Al-1050/Mg-AZ31 Couples Joined by Magnetic Pulse Welding (MPW)

    NASA Astrophysics Data System (ADS)

    Stern, A.; Aizenshtein, M.; Moshe, G.; Cohen, S. R.; Frage, N.

    2013-07-01

    The microstructure and the phase composition of the interfaces of Al-1050/Al-1050 and Al-1050/Mg-AZ31 magnetic pulse welding (MPW) joints were characterized by SEM and TEM analyses. The mechanical properties were tested by nanoindentation. Properties of the Al-1050/Al-1050 interface joint were established. The interface is almost free from Al3Fe precipitates, which are present in the base metal. The hardness value is higher than that of the base metal; however, values of the Young's modulus of the interface and base metal are similar. It was suggested that the interface evolution in the Al-1050/Al-1050 system includes local melting and rapid solidification of the base materials. A wavy shaped heterogeneous interface was detected in the Al-1050/Mg-AZ31 joints. Some areas are free from visible intermetallic phases (IMPs), while others contain pockets of relatively coarse intermetallic precipitates. The presence of a relatively large fraction of globular porosity at the interface indicates that local melting takes place in the course of MPW. TEM characterization of regions free of IMPs at the interface reveals regions consisting of fcc supersaturated Al-Mg solid solution, apparently formed as a result of local mechanical alloying during MPW. In other regions, the composition and structure correspond to the Mg17Al12 phase, which was probably formed by local melting and rapid solidification.

  14. Short-period superlattices of AlN/Al{sub 0.08}Ga{sub 0.92}N grown on AlN substrates

    SciTech Connect

    Nikishin, S.A.; Borisov, B.A.; Chandolu, A.; Kuryatkov, V.V.; Temkin, H.; Holtz, M.; Mokhov, E.N.; Makarov, Yu.; Helava, H.

    2004-11-08

    High-quality short-period superlattices of AlN/Al{sub 0.08}Ga{sub 0.92}N have been grown by gas-source molecular-beam epitaxy with ammonia on Al face of AlN (0001) substrates. A significant reduction was achieved in the dislocation density, down to 3x10{sup 8} cm{sup -2}. Complete removal of residual Al{sub 2}O{sub 3} surface oxide is needed in order to obtain low dislocation density in homoepitaxy on AlN. We show that the presence of Al{sub 2}O{sub 3} islands with the surface coverage as low as 0.2% results in increased dislocation density.

  15. Chemical ordering and large tunnel magnetoresistance in Co2FeAl/MgAl2O4/Co2FeAl(001) junctions

    NASA Astrophysics Data System (ADS)

    Scheike, Thomas; Sukegawa, Hiroaki; Inomata, Koichiro; Ohkubo, Tadakatsu; Hono, Kazuhiro; Mitani, Seiji

    2016-05-01

    Epitaxial magnetic tunnel junctions (MTJs) with a Co2FeAl/CoFe (0.5 nm)/MgAl2O4/Co2FeAl(001) structure were fabricated by magnetron sputtering. High-temperature in situ annealing led to a high degree of B2-order in the Co2FeAl layers and cation order of the MgAl2O4 barrier. Large tunnel magnetoresistance (TMR) of up to 342% was obtained at room temperature (616% at 4 K), in contrast to the TMR ratio ( ≲ 160%) suppressed by the band-folding effect in Fe/cation-ordered MgAl2O4/Fe MTJs. The present study reveals that the high degree of B2-order and the resulting high spin polarization in the Co2FeAl electrodes enable us to bypass the band-folding problem in spinel barriers.

  16. A novel TiAl3/Al2O3 composite coating on γ-TiAl alloy and evaluating the oxidation performance

    NASA Astrophysics Data System (ADS)

    Wang, Jiqiang; Kong, Lingyan; Li, Tiefan; Xiong, Tianying

    2016-01-01

    A novel TiAl3/Al2O3 composite coating was prepared on γ-TiAl alloy. The process included two steps: (1) TiAl3/Al2O3 composite powders were prepared by high energy ball milling of pure Al and nano-TiO2 powders, followed by a heat-treatment; (2) the as-prepared composite powders were deposited on γ-TiAl substrate by cold spray. The cyclic oxidation was conducted at 900 °C to test the performance of the composite coating. The results showed that the composite coating had good crack resistance and effectively decreased the oxidation rate of the substrate.

  17. 77 FR 73732 - In the Matter of the Amendment of the Designation of al-Qa'ida in Iraq, aka Jam'at al Tawhid wa...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-11

    ... Matter of the Amendment of the Designation of al-Qa'ida in Iraq, aka Jam'at al Tawhid wa'al-Jihad, aka... fi Bilad al-Rafidayn, aka The Organization of al-Jihad's Base of Operations in Iraq, aka al-Qaida of Jihad in Iraq, aka al-Qaida in Iraq, aka al-Qaida in Mesopotamia, aka al-Qaida in the Land of the...

  18. Elevated temperature wear of Al6061 and Al6061-20%Al{sub 2}O{sub 3}

    SciTech Connect

    Singh, J.; Alpas, A.T.

    1995-04-01

    Both current and potential applications of particulate reinforced aluminum alloys involve components which are required to operate under sliding contact conditions at elevated temperatures. Examples include brake rotors, piston and cylinder liners in automotive engines where operating temperatures can reach 0.5--0.8 of the melting temperature of the matrix alloy. For this reason, study of the high temperature wear resistance of aluminum alloys reinforced by Al{sub 2}O{sub 3} or SiC particles is important. These studies are also of interest for the problem of die wear during hot extrusion of aluminum matrix composites and to rationalize the process of frictional welding involved in joining of the composites. Although the room temperature tribological and mechanical behaviors of aluminum matrix composites have received considerable attention, their high temperature properties have only recently started being considered. It has been shown that Al-Si-Mg (A356) alloys with or without SiC particles show a transition from mild to severe wear when a critical temperature (at about 0.4 T{sub m}, where T{sub m} is the melting temperature of aluminum) is reached as a result of frictional heating under dry sliding conditions. In this work, high temperature wear of A16061 and A16061-20%Al{sub 2}O{sub 3} was studied at temperatures between 25--500 C. The microstructural changes that occurred during wear have been delineated in order to understand the wear mechanisms that operate at high temperatures.

  19. Proceedings of the second international symposium on molecular markers in horticulture Acta Horticulturae

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The second International Symposium on Molecular Markers in Horticulture was held at the CH2M Hill Alumni Center at Oregon State University (OSU), Corvallis (Oregon, US), from July 29 to August 1st, 2009. This symposium was convened by a scientist at the National Clonal Germplasm Repository (NCGR) of...

  20. Effects of Hydrophile-Lypophile Balance of Emulsifier on Electrooptical Properties and Morphology of Poly(vinylalcohol)/Liquid Crystal Composite

    NASA Astrophysics Data System (ADS)

    Ono, Hiroshi; Kawatsuki, Nobuhiro

    1995-12-01

    We clarified the relationship between the morphology of a poly(vinyl alcohol) (PVA)/liquid crystal (LC) composite film fabricated by an emulsification method and a hydrophile-lypophile balance (HLB) of an emulsifier. The LC domain size was affected by the surface tension of the PVA aqueous solution and of the LC. The surface tension of the PVA aqueous solution and the LC was varied by changing the HLB value. The electrooptical properties, such as threshold voltage and response time, were strongly dependent on the LC droplet size, in good qualitative agreement with results obtained using the equations of Doane et al. [Mol. Cryst. Liq. Cryst. 5 (1989) 1453].

  1. Al-Ca and Al-Fe metal-metal composite strength, conductivity, and microstructure relationships

    SciTech Connect

    Kim, Hyong June

    2011-01-01

    Deformation processed metal-metal composites (DMMC’s) are composites formed by mechanical working (i.e., rolling, swaging, or wire drawing) of two-phase, ductile metal mixtures. Since both the matrix and reinforcing phase are ductile metals, the composites can be heavily deformed to reduce the thickness and spacing of the two phases. Recent studies have shown that heavily drawn DMMCs can achieve anomalously high strength and outstanding combinations of strength and conductivity. In this study, Al-Fe wire composite with 0.07, 0.1, and 0.2 volume fractions of Fe filaments and Al-Ca wire composite with 0.03, 0.06, and 0.09 volume fractions of Ca filaments were produced in situ, and their mechanical properties were measured as a function of deformation true strain. The Al-Fe composites displayed limited deformation of the Fe phase even at high true strains, resulting in little strengthening effect in those composites. Al-9vol%Ca wire was deformed to a deformation true strain of 13.76. The resulting Ca second-phase filaments were deformed to thicknesses on the order of one micrometer. The ultimate tensile strength increased exponentially with increasing deformation true strain, reaching a value of 197 MPa at a true strain of 13.76. This value is 2.5 times higher than the value predicted by the rule of mixtures. A quantitative relationship between UTS and deformation true strain was determined. X-ray diffraction data on transformation of Al + Ca microstructures to Al + various Al-Ca intermetallic compounds were obtained at the Advanced Photon Source at Argonne National Laboratory. Electrical conductivity was measured over a range of true strains and post-deformation heat treatment schedules.

  2. Interfacial microstructure and growth mechanism of Al4C3 in Grf/Al composites fabricated by liquid pressure method.

    PubMed

    Xu, Wang; Chenchong, Wang; Zhichao, Zhang; Ping, Liang; Yanhua, Shi; Guofu, Zhang

    2014-10-01

    In this study, Grf/Al composite was fabricated by liquid pressure method. The diffusion layer and the nucleation and growth of Al4C3 were observed at the interface of Grf/Al composites by TEM and HRTEM. The growth mechanism of Al4C3 was analyzed in detail by crystallography theory. It was found that Al4C3 had no phase relations with the carbon fiber. (0001) layer of Al4C3 was parallel with main growth direction. Both the diffusion layer at the interface and crystal structure of Al4C3 affected the shape of Al4C3. At a certain position, Al4C3 could connect two fibers when the fibers were close to each other. PMID:25041826

  3. Influence of Reaction with XeF2 on Surface Adhesion of Al and Al2O3 Surfaces

    SciTech Connect

    Zhang, Tianfu; Park, Jeong Y.; Huang, Wenyu; Somorjai, Gabor A.

    2008-07-28

    The change of surface adhesion after fluorination of Al and Al{sub 2}O{sub 3} surfaces using XeF{sub 2} was investigated with atomic force microscopy. The chemical interaction between XeF{sub 2} and Al and Al{sub 2}O{sub 3} surfaces was studied by in situ x-ray photoelectron spectroscopy. Fresh Al and Al{sub 2}O{sub 3} surfaces were obtained by etching top silicon layers of Si/Al and Si/Al{sub 2}O{sub 3} with XeF{sub 2}. The surface adhesion and chemical composition were measured as a function of time after the exposure to air or annealing (at 200 C under vauum). The correlation between the adhesion force increase and presence of AlF{sub 3} on the surface was revealed.

  4. Fabrication of Al/Al3Ti Functionally Graded Materials by Reaction Centrifugal Mixed-Powder Method

    NASA Astrophysics Data System (ADS)

    El-Hadad, Shimaa; Sato, Hisashi; Miura-Fujiwara, Eri; Watanabe, Yoshimi

    2011-01-01

    Formation of compositional gradient in Al/Al3Ti Functionally graded materials (FGMs) fabricated by the centrifugal method (CM) depends mainly on the centrifugal force and the processing temperature. In this study, a novel centrifugal method, reaction centrifugal mixed-powder method (RCMPM), was proposed to fabricate Al/Al3Ti FGMs under fixed centrifugal force (G=80). The effects of RCMPM processing temperature on the formation of Al3Ti intermetallics, its morphology and its distribution in the fabricated Al/Al3Ti FGMs have been investigated. Fine granular Al3Ti were observed at relatively lower processing temperature while the known coarse platelet-like particles of Al3Ti could be achieved at higher casting temperatures. Moreover, Ti3Al intermetallics compound and unreacted Ti phases are also observed along with Al3Ti particles. In addition, distribution of Al3Ti intermetallics size and their volume fraction showed a significant change when the Al/Al3Ti FGMs processed at different temperatures relative to the liquidus temperature of the master alloy.

  5. Transplacental passage of 26Al from pregnant rats to fetuses and 26Al transfer through maternal milk to suckling rats

    NASA Astrophysics Data System (ADS)

    Yumoto, S.; Nagai, H.; Matsuzaki, H.; Kobayashi, T.; Tada, W.; Ohki, Y.; Kakimi, S.; Kobayashi, K.

    2000-10-01

    Aluminium (Al) is toxic to the growth of fetuses and sucklings. However, the incorporation of Al into fetuses and sucklings in the periods of gestation and lactation has not been well clarified because Al lacks a suitable isotope for a tracer experiment. In this study, we used 26Al (a radioisotope of Al with half-life of 716,000 yr) as a tracer, and measured 26Al incorporation into fetuses and sucklings by accelerator mass spectrometry (AMS). To investigate Al incorporation into fetuses through transplacental passage, 26Al ( 26AlCl 3) was subcutaneously injected into pregnant rats on day 15 of gestation. 26Al was also subcutaneoulsy injected into lactating rats from day 1 to day 20 postpartum. By day 20 of gestation, 0.2% of the 26Al injected into a pregnant rat had been transferred to the fetuses, and 26Al was detected in the brain and liver of the fetuses. On day 9 postpartum, high levels of 26Al were demonstrated in the brain, liver, kidneys and blood of suckling rats. It is concluded that 26Al subcutaneously injected into pregnant rats and/or lactating rats is incorporated into their offspring through transplacental passage and/or maternal milk.

  6. Hot Corrosion Performance of AlO-CrO/NiCoCrAlYTa and AlO/NiCoCrAlYTa Coatings Deposited by Atmospheric Plasma Spraying

    NASA Astrophysics Data System (ADS)

    Tao, Chong; Wang, Lei; Cheng, Nailiang; Hu, Hengfa; Liu, Yang; Song, Xiu

    2016-04-01

    AlO-CrO/NiCoCrAlYTa and AlO/NiCoCrAlYTa coatings were deposited on 316L stainless steel substrate using atmospheric plasma spraying, respectively, in order to improve the oxidation and corrosion resistance. The hot corrosion performance of the coatings at 700 and 900 °C were studied, and the detailed microstructures and phase composition of the coatings were analyzed using x-ray diffraction, scanning electron microscope with energy dispersive spectrometer, and transmission electron microscope. The results show that both coatings are structurally featured by slatted layers, consisting of amorphous phase, Cr2O3, Ni3Al, and Al2O3. The hot corrosion resistance of AlO-CrO/NiCoCrAlYTa coating is better than that of AlO/NiCoCrAlYTa coating. This improvement is attributed to lower porosity and more compact Cr2O3 in AlO-CrO/NiCoCrAlYTa coating which performs better than Al2O3 in blocking further inward progress of corrosion and oxidization.

  7. First-principles studies of Al-Ni intermetallic compounds

    SciTech Connect

    Shi Dongmin; Wen Bin; Melnik, Roderick; Yao Shan; Li Tingju

    2009-10-15

    The structural properties, heats of formation, elastic properties, and electronic structures of Al-Ni intermetallic compounds are analyzed here in detail by using density functional theory. Higher calculated absolute values of heats of formation indicate a very strong chemical interaction between Al and Ni for all Al-Ni intermetallic compounds. According to the computational single crystal elastic constants, all the Al-Ni intermetallic compounds considered here are mechanically stable. The polycrystalline elastic modulus and Poisson's ratio have been deduced by using Voigt, Reuss, and Hill (VRH) approximations, and the calculated ratio of shear modulus to bulk modulus indicated that AlNi, Al{sub 3}Ni, AlNi{sub 3} and Al{sub 3}Ni{sub 5} compounds are ductile materials, but Al{sub 4}Ni{sub 3} and Al{sub 3}Ni{sub 2} are brittle materials. With increasing Ni concentration, the bulk modulus of Al-Ni intermetallic compounds increases in a linear manner. The electronic energy band structures confirm that all Al-Ni intermetallic compounds are conductors. - Graphical abstract: Calculated bulk modulus compared to experimental and other theoretical values for the Al-Ni intermetallic compounds.

  8. Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

    PubMed

    Altman, Alison B; Pemmaraju, C D; Camp, Clément; Arnold, John; Minasian, Stefan G; Prendergast, David; Shuh, David K; Tyliszczak, Tolek

    2015-08-19

    Polarized aluminum K-edge X-ray absorption near edge structure (XANES) spectroscopy and first-principles calculations were used to probe electronic structure in a series of (BDI)Al, (BDI)AlX2, and (BDI)AlR2 coordination compounds (X = F, Cl, I; R = H, Me; BDI = 2,6-diisopropylphenyl-β-diketiminate). Spectral interpretations were guided by examination of the calculated transition energies and polarization-dependent oscillator strengths, which agreed well with the XANES spectroscopy measurements. Pre-edge features were assigned to transitions associated with the Al 3p orbitals involved in metal-ligand bonding. Qualitative trends in Al 1s core energy and valence orbital occupation were established through a systematic comparison of excited states derived from Al 3p orbitals with similar symmetries in a molecular orbital framework. These trends suggested that the higher transition energies observed for (BDI)AlX2 systems with more electronegative X(1-) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes an increase in the attractive potential of the Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals. For (BDI)Al and (BDI)AlH2 the experimental Al K-edge XANES spectra and spectra calculated using the eXcited electron and Core-Hole (XCH) approach had nearly identical energies for transitions to final state orbitals of similar composition and symmetry. These results implied that the charge distributions about the aluminum atoms in (BDI)Al and (BDI)AlH2 are similar relative to the (BDI)AlX2 and (BDI)AlMe2 compounds, despite having different formal oxidation states of +1 and +3, respectively. However, (BDI)Al was unique in that it exhibited a low-energy feature that was attributed to transitions into a low-lying p-orbital of b1 symmetry that is localized on Al and orthogonal to the (BDI)Al plane. The presence of this low-energy unoccupied molecular orbital on electron-rich (BDI)Al distinguishes

  9. Revisiting the Al/Al2O3 Interface: Coherent Interfaces and Misfit Accommodation

    PubMed Central

    Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; Lazić, Ivan; Valone, Steven M.; Liu, Xiang-Yang

    2014-01-01

    We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures. PMID:24670940

  10. Deep SiO2 etching with Al and AlN masks for MEMS devices

    NASA Astrophysics Data System (ADS)

    Bliznetsov, Vladimir; Mao Lin, Hua; Zhang, Yue Jia; Johnson, David

    2015-08-01

    Silicon oxide-based materials such as quartz and silica are widely used in microelectromechanical systems (MEMS). One way to enhance the capability of their deep plasma etching is to increase selectivity by the use of hard masks. Although this approach was studied previously, information on the use of hard masks for the etching of silicon-oxide based materials on 200 mm substrates is scarce. We present the results of etching process development for amorphous silicon oxide using Al and AlN masks with a view of the application of the results for the etching of silica and quartz. Three gas chemistries (C4F8/O2, CF4 and SF6) and their mixtures were compared in an industrial reactive ion etch (RIE) chamber with two plasma sources. It was established that pure SF6 is the best etchant and AlN is a better mask than Al for providing higher selectivity and a sidewall angle close to vertical. A range of etching parameters for micromasking-free etching was established and etched structures of up to a 4 : 1 aspect ratio were created in 21 μm-thick oxide using the process with an etch rate of 0.32-0.36 μm min-1 and a selectivity to AlN mask of (38-49) : 1.

  11. Tribological Properties of Ti(Al,O)/Al2O3 Composite Coating by Thermal Spraying

    NASA Astrophysics Data System (ADS)

    Salman, Asma; Gabbitas, Brian; Cao, Peng; Zhang, Deliang

    The use of thermal spray coatings provides protection to the surfaces operating in severe environments. The main goal of the current work is to investigate the possibility of using a high velocity air fuel (HVAF) thermally sprayed wear resistant Ti(Al,O)/Al2O3 coating on tool steel (H13) which is used for making dies for aluminium high pressure die casting and dummy blocks aluminium extrusion. A feedstock of Ti(Al,O)/Al2O3 composite powder was produced from a mixture of Al and TiO2 powders by high energy mechanical milling, followed by a thermal reaction process. The feedstock was then thermally sprayed using a high velocity air-fuel (HVAF) technique onto H13 steel substrates to produce a composite coating. The present study describes and compares the tribological properties such as friction and sliding wear rate of the coating both at room and high temperature (700°C). The wear resistance of the coating was investigated by a tribometer using a spherical ended alumina pin as a counter body under dry and lubricating conditions. The results showed that composite coating has lower wear rate at high temperature than at room temperature without using lubricant. The composite coating was characterized using scanning electron microscopy (SEM), optical microscopy and X-ray diffractometry (XRD). This paper reports the experimental observations and discusses the wear resistance performance of the coatings at room and high temperatures.

  12. Microstructure evolution and properties of Al/Al-Mg-Si alloy clad wire during heat treatment

    NASA Astrophysics Data System (ADS)

    Wang, Xiang; Guan, Ren-guo; Zhang, Yang; Su, Ning; Ji, Lian-ze; Li, Yuan-dong; Chen, Ti-jun

    2016-06-01

    In this paper, heat treatment was carried out on Al/Al-Mg-Si alloy clad wire, and microstructure evolution and properties of Al/Al-Mg-Si alloy clad wire during heat treatment were investigated. During solution, contents of Mg and Si in inner matrix increased due to dissolution of primary Mg2Si, and they also increased in outer matrix because Mg and Si diffused across the interface. Tensile strength of the clad wire increased firstly and then decreased, and elongation continuously increased, while conductivity continuously decreased with the increase in solution time. In aging process, Mg2Si precipitated in both inner core and outer layer, and the content and average diameter of the precipitate increased with the increase in aging time. The content of precipitate was higher, and the average diameter was bigger in inner core. Tensile strength of the clad wire increased firstly and then decreased with the increase in aging time, and the elongation continuously decreased, while the conductivity continuously increased. The peak tensile strength of 202 MPa occurred at 8 h, when the corresponding elongation was 20 % and the conductivity reached 56.07 %IACS. Even tensile strength of the prepared clad wire approximately equaled to that of Al-0.5Mg-0.35Si alloy 203 MPa, the conductivity was obviously improved from 54.2 to 56.07 %IACS.

  13. Revisiting the Al/Al2O3 Interface: Coherent Interfaces and Misfit Accommodation

    DOE PAGESBeta

    Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; Lazić, Ivan; Valone, Steven M.; Liu, Xiang-Yang

    2014-03-27

    We report the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface.more » Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.« less

  14. Transformation to Ni5Al3 in a 63.0 at. pct Ni-Al alloy

    NASA Technical Reports Server (NTRS)

    Khadkikar, P. S.; Locci, I. E.; Vedula, K.; Michal, G. M.

    1993-01-01

    Microstructures of 63 at. pct P/M Ni-Al alloys with a composition close to the stoichiometry of the Ni5Al3 phase were investigated using homogenized and quenched specimens aged at low temperatures for various times. Results of analyses of XRD data and electron microscopy observations were used for quantitative phase analysis, performed to calculate the (NiAl + Ni5Al3)/Ni5Al3 phase boundary locations. The measured lattice parameters of Ni5Al3 phase formed at 823, 873, and 923 K indicated an increase in tetragonality of the phase with increasing nickel content.

  15. Acoustic resonator with Al electrodes on an AlN layer and using a GaAs substrate

    DOEpatents

    Kline, Gerald R.; Lakin, Kenneth M.

    1985-12-03

    A method of fabricating an acoustic wave resonator wherein all processing steps are accomplished from a single side of said substrate. The method involves deposition of a multi-layered Al/AlN structure on a GaAs substrate followed by a series of fabrication steps to define a resonator from said composite. The resulting resonator comprises an AlN layer between two Al layers and another layer of AlN on an exterior of one of said Al layers.

  16. Growth and characterization of TiAlN/CrAlN superlattices prepared by reactive direct current magnetron sputtering

    SciTech Connect

    Barshilia, Harish C.; Deepthi, B.; Rajam, K. S.; Bhatti, Kanwal Preet; Chaudhary, Sujeet

    2009-01-15

    TiAlN and CrAlN coatings were prepared using a reactive direct current magnetron sputtering system from TiAl and CrAl targets. Structural characterization of the coatings using x-ray diffraction (XRD) revealed the B1 NaCl structure of TiAlN and CrAlN coatings with a prominent reflection along the (111) plane. The XPS data confirmed the bonding structures of TiAlN and CrAlN single layer coatings. Subsequently, nanolayered multilayer coatings of TiAlN/CrAlN were deposited on silicon and mild steel (MS) substrates at different modulation wavelengths ({lambda}) with a total thickness of approximately 1.0 {mu}m. The modulation wavelengths were calculated from the x-ray reflectivity data using modified Bragg's law. TiAlN/CrAlN multilayer coatings were textured along (111) for {lambda}<200 A and the XRD patterns showed the formation of superlattice structure for coatings deposited at {lambda}=102 A. The x-ray reflectivity data showed reflections of fifth and seventh orders for multilayer coatings deposited at {lambda}=102 and 138 A, respectively, indicating the formation of sharp interfaces between TiAlN and CrAlN layers. The cross-sectional scanning electron microscopy image of TiAlN/CrAlN multilayer coatings indicated a noncolumnar and dense microstructure. A maximum hardness of 39 GPa was observed for TiAlN/CrAlN multilayer coatings deposited at {lambda}=93 A, which was higher than the rule-of-mixture value (30 GPa) for TiAlN and CrAlN. Study of thermal stability of the coatings in air using micro-Raman spectroscopy indicated that the TiAlN/CrAlN multilayer coatings were stable up to 900 deg. C in air. TiAlN/CrAlN multilayer coatings also exhibited improved corrosion resistance when compared to the MS substrate.

  17. ALS 2883: Analysis of spectroscopic features

    NASA Astrophysics Data System (ADS)

    Silva, A. R.; Levenhagen, R. S.; Künzel, R.; Leister, N. V.

    2014-10-01

    ALS 2883 (RA 13^{h} 02^{m} 47^{s}, DEC -63^{o} 50' 08'', M_{v} 10.1) is the first known radio pulsar with an emission B-type companion system, discovered in 1992. The Be companion of ALS 2883 has all line profiles in the visible range in emission. This emission is a common hallmark among many Be stars, and this effect is thought to be due to the presence of a circumstellar environment. Also, the star is orbiting a X-ray source as has been detected by the XMM-Newton Science Operation Center. In this study, we present the observations of ALS 2883 made at the OPD/LNA 1.60 m telescope with the Coudé spectrograph in the range 4000 to 5000 Å and S/N simeq 200, performed in April 2011. First-order estimations of T_{eff} and log g parameters have been performed through Johnson's UBV and JHK photometric calibrations. Projected rotation velocity V sin i has been estimated through the mean of the first zeroes of the Fourier transforms of neutral helium rotation profiles adopting linear, quadratic and square-root limb-darkening laws. The physical conditions of the circumstellar envelope were estimated through the solution of the radiative transport equation assuming local thermodynamic equilibrium within a disk-shaped circumstellar environment with a Keplerian velocity field. The radiative transport equation is solved assuming the Roche model as a boundary condition in the circumstellar environment. Iterating the computations with a downhill-simplex algorithm, this analysis leads to a best solution for an envelope with T simeq 9500 K, gas density ρ simeq 2 × 10^{-15} g.cm^{-3}, internal radius r_{i} simeq 8 R_{odot} and external radius r_e simeq 30 R_{odot}, rotating with V_{rot} simeq 140 km.s^{-1} and expanding with V_{exp} simeq 90 km.s^{-1}.

  18. Development of SiAlON materials

    NASA Technical Reports Server (NTRS)

    Layden, G. K.

    1977-01-01

    Cold pressing and sintering techniques were used to produce ceramic bodies in which the major phase was beta prime Si3-Al-O-N4 solid solution. A variety of foreign oxides were used to promote liquid phase sintering, and this resulted in the incorporation of additional solid phases in the ceramic bodies which controlled elevated temperature properties. None of the bodies studied to date exhibited both adequate high temperature mechanical properties and oxidation resistance. Criteria are suggested to guide the formulation of bodies with improved high temperature properties.

  19. Orbit stability of the ALS storage ring

    SciTech Connect

    Keller, R.; Nishimura, H.; Biocca, A.

    1997-05-01

    The Advanced Light Source (ALS) storage ring, a synchrotron light source of the third generation, is specified to maintain its electron orbit stable within one tenth of the rms beam size. In the absence of a dedicated orbit feed-back system, several orbit-distorting effects were investigated, aided by a new interactive simulation tool, the code TRACY V. The effort has led to a better understanding of the behavior of a variety of accelerator subsystems and in consequence produced a substantial improvement in day-to-day orbit stability.

  20. Ferromagnetic Fe2CrAl Nanowires

    NASA Astrophysics Data System (ADS)

    Dulal, Rajendra; Dahal, Bishnu; Pegg, Ian L.; Philip, John

    Heusler alloy Fe2CrAl (FCA) nanowires were grown on silicon substrates. Nanowires have diameters in the range 50 to 200 nm and lengths up to 100 µm. They exhibit cubic L21 and A2 type structure with a space group, Pm m. Magnetic characterization reveals that they display ferromagnetic behavior and has a Curie temperature above 400 K. Magnetic behavior of FCA nanowires is different from the reported bulk behavior. Bulk FCA with L21 structure has a Curie temperature around 274 K. National Science Foundation under ECCS-0845501 and NSF-MRI, DMR-0922997.

  1. Generation of Al nanoparticles via ablation of bulk Al in liquids with short laser pulses.

    PubMed

    Stratakis, Emmanuel; Barberoglou, Marios; Fotakis, Costas; Viau, Guillaume; Garcia, Cecile; Shafeev, Georgy A

    2009-07-20

    Highly stable aluminum nanoparticles (NPs) are generated via ablation of bulk Al in ethanol using either femtosecond (fs) or picosecond (ps) laser sources. The colloidal NPs solutions obtained with fs pulses exhibit a yellow coloration and show an increased optical absorption between 300 and 400 nm, tentatively assigned to the plasmon resonance of nanosized Al. The corresponding solutions after ps ablation are gray colored and opalescent. The average size of the NPs formed ranges from 20 nm for the fs case to 60 nm for the ps case, while a narrower distribution is obtained using the shorter pulses. High Resolution Transmission Electron Microscopy (HRTEM) studies indicate that the NPs are mostly amorphous with single crystalline inclusions. Al NPs generated with short laser pulses slowly react with air oxygen due to the presence of a native oxide cladding, which efficiently passivates their surface against further oxidation. PMID:19654669

  2. Energy localization on the Al sublattice of Pt3Al with L12 order

    SciTech Connect

    Medvedev, Nikolay N; Starostenkov, Mikhail D; Manley, Michael E

    2013-01-01

    A three-dimensional molecular-dynamics model of with order was developed and found to support the excitation of discrete breathers (DBs) and energy localization on the Al sublattice. For an initial lattice temperature of 0 K, large-amplitude DBs polarized along [100] are found to be very weakly damped, retaining most of their initial energy for more than 2000 cycles, while DBs polarized along [111] damped out over ~30 cycles. Because the DBs and their dissipation channels are confined to the Al sublattice, long-lived nonequilibrium states with large energy differences between the Al and Pt sublattices occur. Since collisions during irradiation more efficiently generate lattice vibrations in light atoms than heavy atoms, such nonequilibrium states may occur and alter the relaxation processes occurring during radiation damage.

  3. Epitaxial Zintl aluminide SrAl4 grown on a LaAlO3 substrate

    NASA Astrophysics Data System (ADS)

    Schlipf, Lukas; Slepko, Alexander; Posadas, Agham B.; Seinige, Heidi; Dhamdhere, Ajit; Tsoi, Maxim; Smith, David J.; Demkov, Alexander A.

    2013-07-01

    Zintl phases are a class of intermetallic materials that have simultaneously ionic and covalent bonding resulting from charge transfer between two different atomic species. We present a combined first principles and experimental study of Zintl-phase SrAl4, which is grown in thin film form on the perovskite oxide LaAlO3 using molecular beam epitaxy. The structural properties are investigated using reflection-high-energy electron diffraction, x-ray diffraction, and cross-section transmission electron microscopy, which reveal relaxed epitaxial island growth. Photoelectron spectroscopy measurements verify the Zintl-Klemm nature of the bonding in the material and are utilized to determine the band offset and the work function of SrAl4, while transport measurements confirm its metallic behavior. The experimentally observed properties are confirmed using density functional calculations.

  4. Local stress-induced effects on AlGaAs/AlOx oxidation front shape

    NASA Astrophysics Data System (ADS)

    Chouchane, F.; Almuneau, G.; Cherkashin, N.; Arnoult, A.; Lacoste, G.; Fontaine, C.

    2014-07-01

    The lateral oxidation of thick AlGaAs layers (>500 nm) is studied. An uncommon shape of the oxide tip is evidenced and attributed to the embedded stress distribution, inherent to the oxidation reaction. Experimental and numerical studies of the internal strain in oxidized AlxGa1-xAs/GaAs structures were carried out by dark-field electron holography and finite element methods. A mapping of the strain distribution around the AlGaAs/oxide interface demonstrates the main role of internal stress on the shaping of the oxide front. These results demonstrate the high relevance of strain in oxide-confined III-V devices, in particular, with over-500-nm thick AlOx confinement layers.

  5. Highly strained AlAs-type interfaces in InAs/AlSb heterostructures

    NASA Astrophysics Data System (ADS)

    Vallet, M.; Claveau, Y.; Warot-Fonrose, B.; Gatel, C.; Nicolai, J.; Combe, N.; Magen, C.; Teissier, R.; Baranov, A. N.; Ponchet, A.

    2016-05-01

    Spontaneously formed Al-As type interfaces of the InAs/AlSb system grown by molecular beam epitaxy for quantum cascade lasers were investigated by atomic resolution scanning transmission electron microscopy. Experimental strain profiles were compared to those coming from a model structure. High negative out-of-plane strains with the same order of magnitude as perfect Al-As interfaces were observed. The effects of the geometrical phase analysis used for strain determination were evidenced and discussed in the case of abrupt and huge variations of both atomic composition and bond length as observed in these interfaces. Intensity profiles performed on the same images confirmed that changes of chemical composition are the source of high strain fields at interfaces. The results show that spontaneously assembled interfaces are not perfect but extend over 2 or 3 monolayers.

  6. Investigation of etching techniques for superconductive Nb/Al-Al2O3/Nb fabrication processes

    NASA Technical Reports Server (NTRS)

    Lichtenberger, A. W.; Lea, D. M.; Lloyd, F. L.

    1993-01-01

    Wet etching, CF4 and SF6 reactive ion etching (RIE), RIE/wet hybrid etching, Cl-based RIE, ion milling, and liftoff techniques have been investigated for use in superconductive Nb/Al-Al2O3/Nb fabrication processes. High-quality superconductor-insulator-superconductor (SIS) junctions have been fabricated using a variety of these etching methods; however, each technique offers distinct tradeoffs for a given process an wafer design. In particular, it was shown that SF6 provides an excellent RIE chemistry for low-voltage anisotropic etching of Nb with high selectivity to Al. The SF6 tool has greatly improved the trilevel resist junction insulation process. Excellent repeatability, selectivity with respect to quartz, and submicron resolution make Cl2 + BCl3 + CHCl3 RIE a very attractive process for trilayer patterning.

  7. Inferred Initial 26Al/27Al Ratios in Presolar Stardust Grains from Supernovae are Higher than Previously Estimated

    NASA Astrophysics Data System (ADS)

    Groopman, Evan; Zinner, Ernst; Amari, Sachiko; Gyngard, Frank; Hoppe, Peter; Jadhav, Manavi; Lin, Yangting; Xu, Yuchen; Marhas, Kuljeet; Nittler, Larry R.

    2015-08-01

    We performed an in-depth exploration of the Al-Mg system for presolar graphite, SiC, and Si3N4 grains found to contain large excesses of 26Mg, indicative of the initial presence of live 26Al. Ninety of the more than 450 presolar grains processed in this study contain well-correlated {δ }26{Mg}{/}24{Mg} and 27Al/24Mg ratios, derived from Nano-scale Secondary Ion Mass Spectrometer depth profiles, whose isochron-like regression lines yield inferred initial {}26{Al}{/}27{Al} ratios that, on average, are ˜1.5-2 times larger than the ratios previously reported for the grains. The majority of presolar graphite and SiC grains are heavily affected by Al contamination, resulting in large negative {δ }26{Mg}{/}24{Mg} intercepts of the isochron lines. Al contamination is potentially due to etching of the grains’ surfaces and subsequent capture of dissolved Al during the acid dissolution of their meteorite host rocks. From the isochron fits, the magnitude of Al contamination was quantified for each grain. The amount of Al contamination on each grain was found to be random and independent of grain size, following a uniform distribution with an upper bound at 59% contamination. The Al contamination causes conventional whole-grain estimates to underpredict the initial {}26{Al}{/}27{Al} ratios. The presolar grains with the highest {}26{Al}{/}27{Al} ratios are from Type II supernovae whose isochron-derived initial {}26{Al}{/}27{Al} ratios greatly exceed those predicted in the He/C and He/N zones of SN models.

  8. ALS1 and ALS3 gene expression and biofilm formation in Candida albicans isolated from vulvovaginal candidiasis

    PubMed Central

    Roudbarmohammadi, Shahla; Roudbary, Maryam; Bakhshi, Bita; Katiraee, Farzad; Mohammadi, Rasoul; Falahati, Mehraban

    2016-01-01

    Background: A cluster of genes are involved in the pathogenesis and adhesion of Candida albicans to mucosa and epithelial cells in the vagina, the important of which is agglutinin-like sequence (ALS) genes. As well as vaginitis is a significant health problem among women, the antifungal resistance of Candida species is continually increasing. This cross-sectional study investigates the expression of ALS1 and ALS3 genes and biofilm formation in C. albicans isolate isolated from vaginitis. Materials and Methods: Fifty-three recognized isolates of C. albicans were collected from women with recurrent vulvovaginal candidiasis in Iran, cultured on sabouraud dextrose agar, and then examined for gene expression. Total messenger RNA (mRNA) extracted from C. albicans isolates and complementary DNA synthesized using reverse transcriptase enzyme. Reverse transcription-polymerase chain reaction (RT-PCR) using specific primer was used to evaluate the expression of ALS1 and ALS3 through housekeeping (ACT1) genes. 3-(4,5-dimethyl-2-thiazyl)-2,5-diphenyl-2H-tetrazolium bromide assay was performed to assess adherence capacity and biofilm formation in the isolated. Results: Forty isolates (75.8%) expressed ALS1 and 41 isolates (77.7%) expressed ALS3 gene. Moreover, 39 isolates (74%) were positive for both ALS1 and ALS3 mRNA by the RT-PCR. Adherence capability in isolates with ALS1 or ALS3 genes expression was greater than the control group (with any gene expression), besides, it was significantly for the most in the isolates that expressed both ALS1 and ALS3 genes simultaneously. Conclusion: The results attained indicated that there is an association between the expression of ALS1 and ALS3 genes and fluconazole resistance in C. albicans. A considerable percent of the isolates expressing the ALS1 and ALS3 genes may have contributed to their adherence to vagina and biofilm formation. PMID:27376044

  9. Mechanisms of elevated-temperature deformation in the B2 aluminides NiAl and CoAl

    NASA Technical Reports Server (NTRS)

    Yaney, D. L.; Nix, W. D.

    1988-01-01

    A strain rate change technique, developed previously for distinguishing between pure-metal and alloy-type creep behavior, was used to study the elevated-temperature deformation behavior of the intermetallic compounds NiAl and CoAl. Tests on NiAl were conducted at temperatures between 1100 and 1300 K while tests on CoAl were performed at temperatures ranging from 1200 to 1400 K. NiAl exhibits pure-metal type behavior over the entire temperature range studied. CoAl, however, undergoes a transition from pure-metal to alloy-type deformation behavior as the temperature is decreased from 1400 to 1200 K. Slip appears to be inherently more difficult in CoAl than in NiAl, with lattice friction effects limiting the mobility of dislocations at a much higher tmeperature in CoAl than in NiAl. The superior strength of CoAl at elevated temperatures may, therefore, be related to a greater lattice friction strengthening effect in CoAl than in NiAl.

  10. Effect of Al on the Wetting Behavior Between TiC x and Molten Ti-Al Alloys

    NASA Astrophysics Data System (ADS)

    Liu, Xuyang; Lv, Xuewei; Dong, Hongbiao; Li, Chunxin; Bai, Chenguang

    2015-10-01

    The wetting behavior and the interfacial reactions between TiC x substrate and molten Ti-Al alloys with different Al contents were studied using the Sessile Drop method at 1758 K (1485 °C) in argon atmosphere. It is found that the wettability and interface reaction products depend on Al content in the molten alloy. The initial contact angles between the molten Ti-Al alloy and TiC0.78 surface reduces from 110 to 80 deg when Al content in the alloy changes from 40 to 80 wt pct. The reduction in the initial contact angle is due to the decrease of surface tension of the molten Ti-Al alloys with increasing Al contents. The segregation of Al atoms to the surface occurred at all bulk concentrations of Ti-Al alloys. Al with lower surface tension tends to segregate on the surface of liquid Ti-Al alloy. In the spreading stage, the interfacial reaction led to the decrease in the contact angle. The adhesion in Ti-Al/TiC x system can be interpreted in terms of strong chemical interactions, which is greatly affected by the diffusion of C. The equilibrium contact angle was measured less than 10 deg. Finally, the reaction sequence at the Ti-Al melt and TiC x substrate interface is proposed.

  11. Simulation Study of Al-1Mn/Al-10Si Circular Clad Ingots Prepared by Direct Chill Casting

    NASA Astrophysics Data System (ADS)

    Wu, Li; Kang, Huijun; Chen, Zongning; Fu, Ying; Wang, Tongmin

    2016-02-01

    A modified direct chill casting process based on Novelis FusionTM Technology co-casting process was used recently to prepare Al-1Mn/Al-10Si circular clad ingots. In the current study, a comprehensive simulation model was developed to investigate the direct chill casting process for preparing the Al-1Mn/Al-10Si circular clad ingots, and a parametric study and experimental research of the direct chill casting process was conducted to explore potential success and failure casting conditions. The simulation results revealed the bonding mechanism of the Al-1Mn/Al-10Si interface in the direct chill casting process and identified the effect of certain parameters on casting performance. The results indicated that the effect of casting speed and Al-1Mn casting temperature on the variations of the minimum solid fraction of Al-1Mn at the interface is stronger than that of cooling water flow rate in inner mold, while Al-10Si casting temperature is the weakest of the four casting parameters. The corresponding experimental results verified that Al-1Mn/Al-10Si circular clad ingot with acceptable metallurgical bonding can be successfully prepared by direct chill casting process under the proper casting parameters. The thickness of diffusion zone is about 40 μm, and the fractured position in tensile test was located in the Al-1Mn alloy side which indicated the strength of the interfacial region is higher than that of Al-1Mn alloy.

  12. Comparison on the interaction of Al3+/nano-Al13 with calf thymus DNA /salmon sperm DNA

    NASA Astrophysics Data System (ADS)

    Ma, Fei; Ma, Yue; Du, Changwen; Yang, Xiaodi; Shen, Renfang

    2015-11-01

    The conformation change, binding mode and binding site between Al3+/nano-Al13 and calf thymus DNA/salmon sperm DNA were investigated by UV-vis absorption, FTIR spectra, Raman spectroscopy and CD spectra, as well as melting curves measurement. The UV-vis spectra and circular dichroism spectra results suggested that the phosphate group structure was changed when Al3+ interacted with DNA, while the double-helix was distorted when nano-Al13 interacted with DNA. The FTIR and Raman spectroscopy revealed that the binding sites were Al3+ … PO2, Al3+ … N7/guanine PO2 … Al13 … N7-C8/guanine with calf thymus DNA, and Al3+ … N3-O2/cytosine, Al3+ … N7-C8/guanine, PO2 … Al13 … N7-C8/guanine, PO2 … Al13 … N1/adenine with salmon sperm DNA, respectively. The electrostatic binding was existed between Al3+ and DNA, and the electrostatic binding and complexing were found between nano-Al13 and DNA.

  13. EPR study of chromium-doped forsterite crystals: Cr3+( M1) with associated trivalent ions Al3+ and Sc3+

    NASA Astrophysics Data System (ADS)

    Ryabov, I. D.

    2012-10-01

    Electron paramagnetic resonance (EPR) study of single crystals of forsterite co-doped with chromium and scandium has revealed, apart from the known paramagnetic centers Cr3+( M1) and Cr3+( M1)- V_{{{{Mg}}^{2 + } }} ( M2) (Ryabov in Phys Chem Miner 38:177-184, 2011), a new center Cr3+( M1)- V_{{{{Mg}}^{2 + } }} ( M2)-Sc3+ formed by a Cr3+ ion substituting for Mg2+ at the M1 structural position with a nearest-neighbor Mg2+ vacancy at the M2 position and a Sc3+ ion presumably at the nearest-neighbor M1 position. For this center, the conventional zero-field splitting parameters D and E and the principal g values have been determined as follows: D = 33,172(29) MHz, E = 8,482(13) MHz, g = [1.9808(2), 1.9778(2), 1.9739(2)]. The center has been compared with the known ion pair Cr3+( M1)-Al3+ (Bershov et al. in Phys Chem Miner 9:95-101, 1983), for which the refined EPR data have been obtained. Based on these data, the known sharp M1″ line at 13,967 cm-1 (with the splitting of 1.8 cm-1), observed in low-temperature luminescence spectra of chromium-doped forsterite crystals (Glynn et al. in J Lumin 48, 49:541-544, 1991), has been ascribed to the Cr3+( M1)-Al3+ center. It has been found that the concentration of the new center increases from 0 up to 4.4 × 1015 mg-1, whereas that of the Cr3+( M1) and Cr3+( M1)- V_{{{{Mg}}^{2 + } }} ( M2) centers quickly decreases from 7.4 × 1015 mg-1 down to 3 × 1015 mg-1 and from 2.7 × 1015 mg-1 down to 0.5 × 1015 mg-1, i.e., by a factor of 2.5 and 5.4, respectively, with an increase of the Sc content from 0 up to 0.22 wt % (at the same Cr content 0.25 wt %) in the melt. When the Sc content exceeds that of Cr, the concentration of the new center decreases most likely due to the formation of the Sc3+( M1)- V_{{{{Mg}}^{2 + } }} ( M2)-Sc3+ complex instead of the Cr3+( M1)- V_{{{{Mg}}^{2 + } }} ( M2)-Sc3+ center. The formation of such ordered neutral complex is in agreement with the experimental results, concerning the incorporation of Sc

  14. Ni-Al2O3 and Ni-Al composite high-aspect-ratio microstructures

    NASA Astrophysics Data System (ADS)

    Wang, Tao; Sorrell, Melford; Kelly, Kevin W.; Ma, Evan

    1998-09-01

    High-aspect-ratio microstructures (HARMs) have a variety of potential applications in heat transfer, fluid mechanics, catalysts and other microelectromechanical systems (MEMS). The aim of this work is to demonstrate the feasibility to fabricate high performance particulate metal-matrix composite and intermetallic micromechanical structures using the LIGA process. Well-defined functionally graded Ni-Al2O3 and Ni-Al high-aspect-ratio microposts were electroformed into lithographically patterned PMMA holes from a nickel sulfamate bath containing submicron alumina and a diluted Watts bath containing microsized aluminum particles, respectively. SEM image analysis showed that the volume fraction of the alumina reached up to around 30% in the Ni-Al2O3 deposit. The Vickers microhardness of these composites is in the range of 418 through 545, which is higher than those of nickel microstructures from a similar particle-free bath and other Ni-based electrodeposits. In the work on Ni-Al electroplating, a newly developed diluted Watts bath was used to codeposit micron-sized aluminum particles. The intermetallic compound Ni3Al was formed by the reaction of nickel matrices and aluminum particles through subsequent annealing at 630 degrees Celsius. WDS and XRD analyses confirmed that the annealed coating is a two-phase (Ni-Ni3Al) composite. The maximum aluminum volume fraction reached 19% at a cathode current density of 12 mA cm-2, and the Vickers microhardness of the as-deposited coatings is in the range 392 - 515 depending on the amount of aluminum incorporated.

  15. TBK1 is associated with ALS and ALS-FTD in Sardinian patients.

    PubMed

    Borghero, Giuseppe; Pugliatti, Maura; Marrosu, Francesco; Marrosu, Maria Giovanna; Murru, Maria Rita; Floris, Gianluca; Cannas, Antonino; Occhineri, Patrizia; Cau, Tea B; Loi, Daniela; Ticca, Anna; Traccis, Sebastiano; Manera, Umberto; Canosa, Antonio; Moglia, Cristina; Calvo, Andrea; Barberis, Marco; Brunetti, Maura; Gibbs, J Raphael; Renton, Alan E; Errichiello, Edoardo; Zoledziewska, Magdalena; Mulas, Antonella; Qian, Yong; Din, Jun; Pliner, Hannah A; Traynor, Bryan J; Chiò, Adriano

    2016-07-01

    Recently, mutations in the TANK-binding kinase 1 (TBK1) gene were identified as a cause for amyotrophic lateral sclerosis (ALS) with or without comorbid frontotemporal dementia. We have assessed the frequency and clinical characteristics of TBK1 mutations in a cohort of ALS patients of Sardinian ancestry. Whole-exome sequencing was performed on Hiseq2000 platform (Illumina). Genome analysis Toolkit was used to align and to code variants according to Human Genome (UCSC hg19). Mutation was confirmed with Sanger sequence. In our screening of 186 Sardinian ALS cases, we found 3 (1.6%) patients carrying 3 distinct novel genetic variants: a nonsynonymous SNV c.1150C>T leading to a p.Arg384Thr change in exon 9; a nonsynonymous SNV c.1331G>A causes a p.Arg444Gln change in exon 11; and a frameshift deletion c.2070delG (p.Met690fs) at the exon 20 of the gene leading to a stop at 693 codon. The latter patients also carried missense mutation c.98C>T of the SQSTM1 gene causing a substitution of an arginine with a valine at the position 33 (p.Arg33Val). All variants were found to be deleterious according to in silico predictions. All cases were apparently sporadic and one of them showed frontotemporal dementia associated to ALS. These mutations were not found in 2 cohorts of 6780 ethnic-matched controls. We have found that TBK1 mutations account for 1.6% of Sardinian ALS cases. Our data support the notion that TBK1 is a novel ALS gene, providing important evidence complementary to the first descriptions. PMID:27156075

  16. Molar Volume Modeling of Ti-Al-Nb and Ti-Al-Mo Ternary Systems

    NASA Astrophysics Data System (ADS)

    Zhu, Jun; Zhang, Chuan; Cao, Weisheng; Chen, Shuanglin; Zhang, Fan; Park, Joon Sik; Yi, Seonghoon

    2015-08-01

    Molar volume modeling was performed for both Ti-Al-Nb and Ti-Al-Mo ternary systems based on the thermodynamic modeling of these two systems. Comparison between the calculated phase equilibria and the experimental data proved the accuracy of thermodynamic modeling. With the calculated density contour curves superimposed on the equilibrium phase diagram, it provides a map for alloy developers to identify the promising alloy compositions that satisfy both the phase stability and density requirements and rule out those that fail to meet the requirements.

  17. Pit initiation in AlO{sub x}/Al thin films

    SciTech Connect

    Son, K.A.; Barbour, J.C.; Missert, N.; Wall, F.D.; Copeland, R.G.; Martinez, M.A.; Minor, K.G.; Buchheit, R.G.; Isaacs, H.S.

    1998-12-31

    The electrochemical responses of AlO{sub x}/Al thin films have been investigated as a function of film growth conditions which produce films with different grain orientation, size and morphology. Films with smooth, 150 nm diameter, randomly oriented grains show a higher pitting potential and lower passive current than those films with large grain-boundary grooving from a mixture of smooth micron-sized, (200)-oriented grains and 300--500 nm diameter, (220)-oriented grains. These results suggest that surface roughness from grain-boundary grooving affects the pitting resistance more strongly than does the grain boundary density.

  18. Ac Impedance Spectroscopy Of Al/A-Sic/C-Si(P)/Al Heterostructure under Illumination

    NASA Astrophysics Data System (ADS)

    Perný, Milan; Šály, Vladimír; Váry, Michal; Mikolášek, Miroslav; Huran, Jozef; Packa, Juraj

    2014-05-01

    The amorphous silicon carbide/crystalline silicon heterojunction was prepared and analyzed. The current-voltage (I - V ) measurements showed the barrier properties of prepared sample. Biased impedance spectra of Al/a-SiC/c-Si(p)/Al heterojunction under the standard illumination are reported and analyzed. AC measurements in the illuminated conditions were processed in order to identify electronic behavior using equivalent AC circuit which was suggested and obtained by fitting the measured impedance data. A phenomenon of negative capacitance/resistance in certain frequency range has been observed.

  19. Laser ablation of Al-Ni alloys and multilayers

    NASA Astrophysics Data System (ADS)

    Roth, Johannes; Trebin, Hans-Rainer; Kiselev, Alexander; Rapp, Dennis-Michael

    2016-05-01

    Laser ablation of Al-Ni alloys and multilayers has been studied by molecular dynamics simulations. The method was combined with a two-temperature model to describe the interaction between the laser beam, the electrons, and the atoms. As a first step, electronic parameters for the alloys had to be found and the model developed originally for pure metals had to be generalized to multilayers. The modifications were verified by computing melting depths and ablation thresholds for pure Al and Ni. Here known data could be reproduced. The improved model was applied to the alloys Al_3Ni, AlNi and AlNi_3. While melting depths and ablation thresholds for AlNi behave unspectacular, sharp drops at high fluences are observed for Al_3Ni and AlNi_3. In both cases, the reason is a change in ablation mechanism from phase explosion to vaporization. Furthermore, a phase transition occurs in Al_3Ni. Finally, Al layers of various thicknesses on a Ni substrate have been simulated. Above threshold, 8 nm Al films are ablated as a whole while 24 nm Al films are only partially removed. Below threshold, alloying with a mixture gradient has been observed in the thin layer system.

  20. Diagnostic timelines and delays in diagnosing amyotrophic lateral sclerosis (ALS).

    PubMed

    Paganoni, Sabrina; Macklin, Eric A; Lee, Alexandra; Murphy, Alyssa; Chang, Judith; Zipf, Amanda; Cudkowicz, Merit; Atassi, Nazem

    2014-09-01

    The objective of this study was to characterize the diagnostic timelines and their predictors in people with amyotrophic lateral sclerosis (ALS). Patients were identified through ALS billing codes. Time from presenting symptom to first doctor visit, first doctor visit to suspected ALS diagnosis, suspected to confirmed ALS diagnosis, and presenting symptom to confirmed ALS diagnosis (total diagnostic time) were collected. Regression models were used to analyze the predictors of diagnostic delay. Three hundred and four ALS patients were included in the analysis. Median total diagnostic time was 11.5 months. Diagnostic timelines were longer in patients with age > 60 years (p < 0.001), sporadic ALS (p = 0.043), and limb onset (p = 0.010). The presence of fasciculations, slurred speech, and lower extremity weakness when symptoms were first noted were independent predictors of shorter time to ALS diagnosis (p = 0.04, p = 0.02, and p = 0.04, respectively). About half of the patients (52%) received an alternative diagnosis and each patient saw an average of three different physicians before ALS diagnosis was confirmed. In conclusion, diagnostic timelines in ALS are long, and patients see many physicians and receive multiple alternative diagnoses before the diagnosis of ALS is confirmed. Older age, sporadic disease, and limb onset can delay ALS diagnosis. PMID:24981792