bluuebunny/crossref_metadata_2025 huggingface dataset:
The Crystal Structures and Powder Diffraction Patterns of the Bismuth and Thallium Ruddlesden-Popper Copper Oxide Superconductors
Authors: Matheis David. P. , Snyder Robert L.
Published: January 2013

This paper contains a review and explanation of the super conducting Ruddlesden-Popper phases in the systems Bi-Sr-Ca-Cu-O and Tl-Ba-Ca-Cu-O. Calculated powder X-ray patterns for the phases Bi-2201, 2212, 2223, and 2234 (where the numbers refer to the stoichiometric ratios of Bi:Sr:Ca:Cu) and Tl-1201, 1212, 1223, 1234, 2201, 2212, 2223, and 2234 (here the numbers refer to the molar ratios of Bi:Ba:Ca:Cu) generated from the reviewed crystal structures are presented. Observed powder patterns for Tl-2201, Tl-2212, Bi-2201 and Bi-2212 are included and compared to the calculated patterns of these phases.
New Crystal Data for High Temperature Hexagonal Silver Sulfate
Authors: Masciocchi Norberto , Parrish William
Published: January 2013

Powder data for Ag2SO4were obtained with a conventional diffractometer equipped with a vacuum heating chamber. The transition from the low-temperature orthorhombic phase occurs over a temperature range of about 415° to 425°C and forms a hexagonal phase plus metallic silver. The lack of a sharp transition must be taken into account in high-temperature X-ray diffraction or DSC/DTA studies. The lattice parameters of the high-temperature hexagonal phase are a = 5.531(3), c = 7.456(5)Å at 440°C, λ = 1.540562 Å. Crystal structure determination was not completed because of uncertainty in the chemical composition.
Don Hanawalt – Early Days and His Contribution to Qualitative Powder Diffractometry
Authors: Jenkins Ron , Rose Richard N.
Published: January 2013

Don Hanawalt died three years ago this June. To those of us who were privileged to know him he was a special person, a man of boundless energy and tireless enthusiasm. In a very real sense Don was a founder in the use of the powder diffraction as a practical laboratory technique. His pioneering contributions included the universally employed search method which, today, still bears his name, and which really established qualitative phase identification. To Don's chagrin, his work never received the same enthusiastic acceptance among chemists that it did by mineralogists and metallurgists. Several months before Don died, Richard Rose of the Journal Staff interviewed Don with the idea of writing an article for the Journal covering Don's contributions to the field of powder diffraction in general, and his work within the International Centre in particular. Because of Don's untimely demise the work was never completed… but in order that a description of Don's interest and work in the powder diffraction field should be recorded, we have taken the tape transcripts and edited them into what we hope will be a cohesive, if somewhat abbreviated, story. Where possible, we have retained the actual language of the interview. Where necessary, minor corrections have been made to some of the dates mentioned by Don. The interview starts by reviewing the early days of X-ray analysis.
X-Ray Powder Diffraction Study of the Tungsten Bronze Type Barium Sodium Niobates
Authors: Shimazu M. , Kubota Y. , Wada T. , Tsutsumi S.
Published: January 2013

Ba2NaNb5,O15 and eighteen additional compositions in the NaNbO3-BaNb2O6 system from 60 to 85 mole % BaNb2O6 have been prepared and studied by X-ray powder diffraction. A calculated pattern has been used to aid in indexing the powder pattern of stoichiometric Ba2NaNb5O15(BNN-S). The lattice parameters of BNN-S have been determined from repeated measurements of 2 higher order reflections and are a=b=17.5994(8)Å and c=7.9771(9)Å. A comparison with the Powder Diffraction File (PDF) 34-210 indicates that the present data provide a more precise match to the unit cell, include additional weak reflections and cover a greater 2θ range. There is a tungsten bronzetype solid solution range from 60 to 75 mole % BaNb2O6.
Crystal Data of Diltiazem Hydrochloride C22H26N2O4S·HCl
Authors: Mayer I. , Cohen S. , Tsamir L.
Published: January 2013

X-ray powder diffraction analysis of Diltiazem Hydrochloride C22H26N2O4S·HCl reveals that the compound crystallizes in an orthorhombic unit cell with the powder data unit cell parameters of a=9.08(1), b=42.09(4), c=6.03(1) Å, V=2305 Å3. The unit cell dimensions determined by single crystal diffraction analysis agree well with those of powder diffraction analysis. Samples prepared under different crystallization conditions yielded the same powder patterns.
Request For Comments A Reference Standard for Determining Instrumental Response for X-Ray Powder Diffraction
Authors: Schreiner W.N. , Jenkins Ron
Published: January 2013

This note discusses the use of the powder-diffractometer intensity-response function reference standard to be released shortly by the National Institute of Standards and Technology (NIST) as a Standard Reference Material (SRM). Its purpose is to encourage use of the standard and to stimulate discussion and comments from readers with regard to the procedure for its use. Comments may be addressed to either of the authors.
X-Ray Powder Diffraction Data for [Pt(C2H8N2)(C7H8N40)2](PF6)2, cis-[bis(7,9 - dimethylhypoxanthine) (ethylene diamine) platinum (II)] dihexafluorophosphate
Authors: Frevel Ludo K.
Published: January 2013

Observed and calculated X-ray powder diffraction data are given for cis-[bis (7,9 dimethylhypoxanthine) (ethylene diamine) platinum (II)] dihexafluorophosphate. The paper details how the powder data were obtained with CrKα1radiation and how the quality rating of the pattern was assessed with respect to unique indexing and with regard to the agreement between calculated and observed relative intensities.
Crystal and X-Ray Powder Diffraction Data for Mixed Oxides MTe2O6 (M = Ce, Th)
Authors: López M.L. , Veiga M.L. , Jerez A , Pico C.
Published: January 2013

MeT2O6 (M = Ce, Th) are monoclinic, space group P21/n (No. 14). The cell dimensions for CeTe2O6 are a = 7.0190(7), b = 11.0423(6), c = 7.3319(8)Å and β = 108.00(8)° and for ThTe2O6 cell dimensions are a = 7.1934(4), b = 11.2310(6), c = 7.4650(2) Å and β= 108.04(6)°.
High Quality Powder Diffraction Data from an Impure Specimen: Triphylite, Li(Fe,Mn)PO4
Authors: Blanchard Frank N. , Saligan Pablo P.
Published: January 2013

High quality powder diffraction data were obtained from a specimen containing inseparable impurities, by using single crystal precession photographs to explore all possible reflections for the mineral being studied. In this manner it is acceptable to ignore weak reflections that do not index on the unit cell and that are not observed on the single crystal photographs. Triphylite is given as an example.
The Space Group and Reference Powder Diffraction Data for Tetracycline Hydrochloride, C22H24N2O8HC1
Authors: Blanchard Frank N.
Published: January 2013

Based on analysis of its powder diffraction pattern, tetracycline hydrochloride is orthorhombic; the space group is probably P212121(19) or P21212(18). Indexed powder data and refined cell parameters are presented.
Limiting Factors for Diffraction in the Gandolfi X-Ray Camera: A Discussion
Authors: Corbett Ronald K.
Published: January 2013

Occasional gaps in diffraction arcs are to be expected on “powder films” obtained with the Gandolfi X-ray camera, particularly when the specimen is a single crystal of low symmetry. The geometrical limitations of the method were succinctly and elegantly stated by the worker whose name the camera bears, in work published a quarter of a century ago. Gandolfi also stated a meansibr amelioration of the missing reflections “problem” Numerous authors have made reference to such discrepancies in the intervening period. These minor difficulties notwithstanding, the Gandolfi camera remains a powerful tool for materials analysis.
Crystal Data for [Cu(C14H15N3)X2·nH2O [X = N3 (n = 1); NCS and Br (n = 0)] Compounds
Authors: Arriortua M.I. , Vía J. , Larramendi J.I.R. , Rojo T.
Published: January 2013

Three members of the family [Cu(C14H15N3)X2]·nH2O [X = N3(n = 1); NCS and Br(n = 0)], C14H15N3, = N-(2′-(6-methyl) pyridyl) methylene-2-(2′-pyridyl)ethylamine)] (pymep), have been prepared by reaction in solution. Crystal data determined with the aid of single crystal methods, powder diffraction data, and densities determined by flotation methods are presented.
Improved Crystallographic Data for AlNbO4
Authors: Rawn C. J. , Roth R. S. , McMurdie H. F.
Published: January 2013

The compound AlNbO4 has been studied by single crystal X-ray precession photographs and X-ray powder diffraction. Unit cell dimensions were calculated using a least squares analysis that refined to a Δ2θ° of no more than 0.03°. A monoclinic cell was found with space group C2/m, a = 12.1558(5)Å, b = 3.7345(2)Å, c = 6.4886(3)Å, and β = 107.613(4)°.
A Type of Geiger-Müller Counter Suitable for the Measurement of Diffracted Mo K X-Rays
Authors: LeGalley Donald P.
Published: January 2013

The design and construction of Geiger-Müller counters which will respond reliably to Mo K x-rays is described. The impulses are amplified and recorded mechanically with the aid of a thyratron circuit. The amplifying and counting circuit, and the counting mechanism, are also described. The time of recovery of the counters has been determined by the use of an oscillograph and found to be less than 0.001 sec. when the proper values are used for the resistance and capacitance of the counter circuit. It is shown that for counting rates up to 600 per minute there is less than a 1 percent correction due to the fact that the impulses are random in nature. Several fundamental tests are described, which have been applied to the counter and the circuit. These tests have shown the counter and the circuit to be a reliable method of measuring x-ray intensities. Graphs are shown of the diffraction patterns of NaCl and KC1 taken by means of the counters. These graphs duplicate the well-known diffraction patterns of these materials, thus giving additional evidence of the reliability of the counters.
Variance and centroid optimization in X-ray powder diffraction analysis
Authors: Berti G.
Published: January 2013

Line profiles of a powder diffraction pattern and the aberrations which affect the centroid and the variances of the peaks have been analyzed using the visualization in scientific computing (ViSC) systems. The constrained optimization of those aberrations has been derived from the theory developed by Wilson (1963). It allows the determination of systematic instrumental effects and gives indication of other diffraction effects related to the samples. The CuKβradiation was used to process the experimental data directly as it is comprised of only one single wavelength.
Validation of Reference Patterns by Search/Matching
Authors: Johnson Quintin
Published: January 2013

Search/Match methods were used to identify probable errors in the characterization of certain ruthenate compounds. It is suggested that patterns proposed for incorporation into the JCPDS-ICDD powder diffraction database be validated as original by Search/Match procedures before they are accepted.
Powder Crystal Data for the High-Temperature Phases Cu4In, Cu9In4(h) and Cu2In(h)
Authors: Che G.C. , Ellner M.
Published: January 2013

The high-temperature phases Cu4In, Cu9In4(h) and Cu2In(h) cannot be retained by quenching. In contrast to this, splat-cooling specimens of these alloys yielded single phase products. Cell parameters in the range of homogeneity of these phases were measured. Powder crystal data for Cu4In(W type), Cu9In4(h) (Cu9Al4type) and Cu2In(h) (Ni2In type) are given.
Structure Determination of Tl4V2O7 from Powder Diffraction Data using an Inel X-Ray PSD: Stereochemical Activity of Thallium(I) Lone Pair
Authors: Jouanneaux A. , Joubert O. , Evain M. , Ganne M.
Published: January 2013

The crystal structure of Tl4V2O7 is solved ab-initio from powder diffraction data collected in Debye-Scherrer geometry using an Inel X-ray Position Sensitive Detector. The structure has been determined from Rietveld analysis in space group ml, Z = 1, with a = 5.9388(2)Å and c = 7.7322(3)Å. The structure of Tl4V2O7 is built up from isolated V2O7 groups aligned along the trigonal c axis. Thallium atoms alternate along a 3-fold axis. The presence of stereochemically active lone pairs is demonstrated and their positions are calculated using a self-consistent electrostatic model. The influence of sample absorption is briefly discussed and the results are compared with those obtained in Bragg-Brentano geometry using flat-plate specimen.
Structure of TlSr2PrCu207−x by Rietveld analysis
Authors: Fun Hoong-Kun , Yang Ping , Othman Rusli , Lee Tsong-Jen , Lai Chiou-Chu , Ku Huan-Chiu
Published: January 2013

The crystalline structure of new TlSr2PrCu207−x was obtained at room temperature (300 K) and low temperature (100 K) from X-ray powder diffraction with CuKα radiation using Rietveld analysis. TlSr2PrCu207−x has an isotypical structure with TlBa2CaCu207 (1212). At 300 K, crystal data: Tl0.864Sr2PrCu2O6.75, Mr=727.811, the tetragonal system, P4/mmm, a =3.85404(5) Å, c = 12.1046(2) Å, V=179.80 Å3, Z=1, Dx =6.7218 g cm−3, μ =1143.922 cm−1 (λ = 1.54051 Å), F(000)=317.0, the structure was refined with 28 parameters to Rwp=5.29%, Rp = 3.65% for 3551 step intensities and Rb=7.40%, Rf=639% for 155 peaks, “goodness of fit” 5=3.05. At 100 K, crystal data: Tl0.858Sr2PrCu2O6.61, Mr=724.345, the tetragonal system, P4/mmm, a =3.84872(6) Å, c = 12.0771(3) Å, V=178.89 Å3, Z=1, Dx=6.7235 g cm−3, μ=1146.939 cm−1 (λ= 1.54051 Å), F(000) = 315.4, the structure was refined with 26 parameters to Rwp=6.70%, Rp=5.11% for 2926 step intensities and Rb=7.83%, Rf=6.70% for 131 peaks, “goodness of fit” S = 1.75.
X-ray powder diffraction data for the superconducting phase Tl0.5Pb0.5Sr2CaCu2O6.5+δ
Authors: Park Chan , Snyder Robert L.
Published: January 2013

The X-ray powder diffraction pattern for a sample of the high-temperature superconducting phase Tl0.5Pb0.5Sr2CaCu2O6.5+δ has been determined. The sample was prepared by a molten salt technique and had a Tc of 96 K.
High-temperature X-ray powder diffraction analysis of selected ceramic mixtures
Authors: Iyengar Sampath S.
Published: January 2013

The utility of ultra-high-temperature (2100 °C) X-ray powder diffraction technique for investigating the high-temperature phase relationships of two pseudobinary mixtures, Al2O3/Y2O3 and AlN/SiO2, is described. The in situ analysis to 1600 °C was carried out using a platinum holder and a Pt/Rh thermocouple; whereas analysis beyond 1600 °C was performed with a tungsten holder, extremely pure, oxygen-free inert gas environment, and an opticalpyrometer to monitor temperatures up to 2100 °C. The solid-state interaction between Al2O3 and Y2O3 commenced with the formation of Al2Y4O9 (YAM), a yttria rich compound, at 1300 °C followed by AlYO3 (YAP) and Al5Y3O12 (YAG) at 1400 °C. Further heating to 1500 °C and above resulted in the increased concentration of YAG at the expense of the other two phases, followed by melting of the entire sample at 2050 °C. The only phase formed during cooling (from the molten state) was YAG. AlN and SiO2 did not react with each other, in an inert atmosphere, and they remained as separate, discrete phases even at 1600 °C. In the presence of oxygen, they reacted to form mullite and cristobalite, or SIALON depending on the partial pressure of oxygen.
Residual stresses in a SiC whisker-reinforced alumina composite by high-temperature X-ray diffraction
Authors: Ballard Benjamin L. , Predecki Paul K. , Hubbard Camden R.
Published: January 2013

Residual strains and microstresses are evaluated for both phase of a hot-pressed, fine-grained α-alumina reinforced with 25 wt% (29 vol%) single-crystal silicon carbide whiskers at temperatures from 25 to 1000 °C. The sample was maintained in a nonoxidizing environment while measurements of the interplaner spacing of alumina (146) and SiC (511 + 333) were made using X-ray diffraction methods. The residual strains were profiled at temperature increments of 250 °C from which the corresponding microstresses were calculated. Linear extrapolation of the SiC ε33 profile indicates that the strains are completely relaxed at a temperature of approximately 1470 °C. These residual stress relaxation results suggest that elevated temperature toughness and fracture strength of this composite may result from cooperative mechanisms.
Improved powder X-ray data for cancrinites I: Afghanite
Authors: Ballirano Paolo , Maras Adriana , Buseck Peter R. , Wang Su , Yates Ann M.
Published: January 2013

Afghanite is a feldspathoid of the cancrinite-group: It is hexagonal, space group P63mc. The afghanite sample was found in the M. Somma-Vesuvio volcanic complex (Italy) and was previously described as davyne: Calculated cell parameters are a = 12.7997(4) Å, c = 21.4062(11) Å; the volume is 3037.2(2) Å3. The strongest lines are: 3.694(100), 3.647(56), 4.826(30), 2.678(25), 2.134(18), 3.999(12), 2.750(12), and 2.771(10). The new data provide quantitative measurement of intensities, an increased number of indexed peaks, and a different empirical formula with respect to the PDF 20-1086.
Occurrence of non-tuberculous mycobacteria species in livestock from northern China and first isolation ofMycobacterium caprae
Authors: ZENG W. , ZHANG Y. , ZHAO X. , HUANG G. , JIANG Y. , DONG H. , LI X. , WAN K. , HE C.
Published: January 2013

We investigated the presence ofMycobacteriumspp. in livestock in northern China. Of the 163 clinical samples selected for this study, 20 were from throat swabs of dairy cows, and 143 were tissue samples (including lung tissue from one reindeer, hilar lymph node tissue from 55 cows, and liver tissue from 87 sheep). A total of 41 mycobacterial isolates were identified including two isolates ofM. capraeand 39 non-tuberculous mycobacteria (NTM) isolates. Multi-locus variable-number tandem repeat analysis (MLVA) profiles of the twoM. capraeisolates proved to be unique. This is the first report ofM. capraeisolates from livestock in China. This study also confirms previous reports that NTM is common in livestock in northern China.
Blasphemy
Authors: Routledge Graham
Published: January 2013

In 1977 the House of Lords in R v Lemon unanimously asserted that the offence of blasphemy had survived a long period of desuetude, and remained very much alive and capable of being used. This surprised many. There had been no prosecution for the offence for sixty-five years. Lord Goddard had once declared it ‘obsolescent’, Lord Denning had described it as a ‘dead letter’, and in 1959 the Society for the Abolition of the Blasphemy Laws had abolished itself. Despite this, and despite disagreement among their Lordships as to the intention or mens rea of the offence, they had no doubt that it still existed as a criminal offence. Indeed, Lord Scarman expressly disassociated himself from the view that the offence ‘serves no useful purpose in modern law’.
More than Intelligence: Distinct Cognitive/Behavioral Clusters Linked to Adaptive Dysfunction in Children
Authors: Papazoglou Aimilia , Jacobson Lisa A. , Zabel T. Andrew
Published: January 2013

Impairments in adaptive functioning are frequently associated with intellectual disability (ID); however, adaptive dysfunction can be seen in many individuals with a variety of neurological conditions without ID. The extent to which other variables may be associated with adaptive dysfunction is unclear. In a mixed clinical sample of children (n = 348) consecutively referred for neuropsychological evaluation, the majority were rated as showing weak adaptive skills (ABAS-II, >1 SD below the mean; 71%), with a substantial proportion evidencing frank impairment (>2 SD below the mean, 45%). We examined patterns of scores on measures of intelligence (WISC-IV) and behavioral/affective dysregulation (BRIEF and BASC-2). Using hierarchical cluster analysis, a four cluster model yielded the most appropriate fit and adaptive functioning was subsequently examined across clusters. As expected, adaptive functioning was most intact in the cluster characterized by average IQ and minimal behavioral dysregulation. Other clusters were marked by adaptive dysfunction and distinguished by sub-average intellectual functioning and varying behavioral/emotional dysregulation. In contrast to traditional views associating low IQ with adaptive dysfunction, adaptive impairment was comparable between the cluster characterized by low intelligence and the cluster with average intelligence but significant behavioral dysregulation. These data suggest that adaptive functioning should be considered across various cognitive/behavioral conditions. (JINS, 2013, 19, 1–9)
Haydn's (?) Cello Concertos, 1860-1930: Editions, Performances, Reception
Authors: Kennaway George
Published: January 2013

While there exist numerous nineteenth- and early twentieth-century annotated editions of repertoire such as the violin sonatas of Beethoven, the repertoire for the cello was in general edited significantly less frequently. The cello concertos by or attributed to Haydn constitute an exception, both in the number of versions and the degree of editorial intervention. Three cello concertos were associated with Haydn's name: the well-known concerto in D Hob.VIIb:2, another concerto in D Hob.VIIb:4, and a concerto in C Hob.VIIb:5. The first is now known to be a genuine work of Haydn's although this attribution was not universally accepted in the nineteenth century. The second is an unattributable eighteenth-century concerto claimed to be by Haydn and accepted as such at its publication in 1895. The third was compiled by the cellist David Popper who claimed to have based it on Haydn's sketches, providing orchestration and linking material. This article discusses aspects of the five performing editions of Hob.VIIb:2 by Bockmühl, Servais, Becker, Klengel and Whitehouse, the two editions of Hob.VIIb:4 by Grützmacher and Trowell, and Popper's concerto, considering these texts, the reception of the concertos as compositions, and the reception of individual performances. This article surveys the period of the greatest diversity of editions, a period whose later limit is determined by the eventual entry of this work into the cello canon. It will be suggested that this diversity is a consequence of non-canonicity.
The Adult Netherlands Twin Register: Twenty-Five Years of Survey and Biological Data Collection
Authors: Willemsen Gonneke , Vink Jacqueline M. , Abdellaoui Abdel , den Braber Anouk , van Beek Jenny H. D. A. , Draisma Harmen H. M. , van Dongen Jenny , van ‘t Ent Dennis , Geels Lot M. , van Lien Rene , Ligthart Lannie , Kattenberg Mathijs , Mbarek Hamdi , de Moor Marleen H. M. , Neijts Melanie , Pool Rene , Stroo Natascha , Kluft Cornelis , Suchiman H. Eka D. , Slagboom P. Eline , de Geus Eco J. C. , Boomsma Dorret I.
Published: January 2013

Over the past 25 years, the Adult Netherlands Twin Register (ANTR) has collected a wealth of information on physical and mental health, lifestyle, and personality in adolescents and adults. This article provides an overview of the sources of information available, the main research findings, and an outlook for the future. Between 1991 and 2012, longitudinal surveys were completed by twins, their parents, siblings, spouses, and offspring. Data are available for 33,957 participants, with most individuals having completed two or more surveys. Smaller projects provided in-depth phenotyping, including measurements of the autonomic nervous system, neurocognitive function, and brain imaging. For 46% of the ANTR participants, DNA samples are available and whole genome scans have been obtained in more than 11,000 individuals. These data have resulted in numerous studies on heritability, gene x environment interactions, and causality, as well as gene finding studies. In the future, these studies will continue with collection of additional phenotypes, such as metabolomic and telomere length data, and detailed genetic information provided by DNA and RNA sequencing. Record linkage to national registers will allow the study of morbidity and mortality, thus providing insight into the development of health, lifestyle, and behavior across the lifespan.
Height, Age at First Birth, and Lifetime Reproductive Success: A Prospective Cohort Study of Finnish Male and Female Twins
Authors: Silventoinen Karri , Helle Samuli , Nisén Jessica , Martikainen Pekka , Kaprio Jaakko
Published: January 2013

The associations between height and reproductive success in humans have attracted long-time scientific interest, but in addition to rather mixed previous results, little is still known about the background mechanisms of these associations. We analyzed the association of adult height with age at first birth and lifetime reproductive success using a twin study design that is able to optimally take into account family background and estimate the contributions of genetic and environmental factors. Information on live births as of June 2009 for 7,830 Finnish twins born 1950–1957 was extracted from the national population register. We found evidence for non-linear associations in men, as men in the third sex-specific height quintile had the highest probability of having one to two children, or three or more children at individual level analyses, and also to have any children when analyzing twin pairs discordant for height. Furthermore, the probability of having a spouse was highest in the third height category in men. Short stature was associated with earlier age at first birth in females, explained by correlated genetic factors, but not with lifetime number of children or having a spouse. Our results suggest that average stature may give some advantage for reproduction in males. In females, genetic factors explained the association between short stature and young age at first birth, which may suggest the role of hormonal factors.
Intestinal DC in migrational imprinting of immune cells
Authors: Stock Angus , Napolitani Giorgio , Cerundolo Vincenzo
Published: January 2013

Dendritic cells (DCs) have a pivotal role in instructing antigen‐specific immune responses, processing and presenting antigens to CD4+ and CD8+ T cells and producing factors capable to modulate the quality of T‐cell responses. In this review, we will provide an historic overview on the identification of the mechanisms controlling lymphocyte migration into the largest immune organ of the body: the gut, and we will describe how in recent years an unexpected role for DCs has emerged as the architects in programming gut‐homing immune cells. Specifically, we will review how intestinal DCs utilize the dietary vitamin A metabolite retinoic acid (RA) to program gut‐homing lymphocytes and how intestinal DCs acquire the unique capacity to become RA producers.
The subgingival microbiome in health and periodontitis and its relationship with community biomass and inflammation
Authors: Abusleme Loreto , Dupuy Amanda K , Dutzan Nicolás , Silva Nora , Burleson Joseph A , Strausbaugh Linda D , Gamonal Jorge , Diaz Patricia I
Published: January 2013

The goals of this study were to better understand the ecology of oral subgingival communities in health and periodontitis and elucidate the relationship between inflammation and the subgingival microbiome. Accordingly, we used 454-pyrosequencing of 16S rRNA gene libraries and quantitative PCR to characterize the subgingival microbiome of 22 subjects with chronic periodontitis. Each subject was sampled at two sites with similar periodontal destruction but differing in the presence of bleeding, a clinical indicator of increased inflammation. Communities in periodontitis were also compared with those from 10 healthy individuals. In periodontitis, presence of bleeding was not associated with different α-diversity or with a distinct microbiome, however, bleeding sites showed higher total bacterial load. In contrast, communities in health and periodontitis largely differed, with higher diversity and biomass in periodontitis. Shifts in community structure from health to periodontitis resembled ecological succession, with emergence of newly dominant taxa in periodontitis without replacement of primary health-associated species. That is, periodontitis communities had higher proportions of Spirochetes, Synergistetes, Firmicutes and Chloroflexi, among other taxa, while the proportions of Actinobacteria, particularly Actinomyces, were higher in health. Total Actinomyces load, however, remained constant from health to periodontitis. Moreover, an association existed between biomass and community structure in periodontitis, with the proportion of specific taxa correlating with bacterial load. Our study provides a global-scale framework for the ecological events in subgingival communities that underline the development of periodontitis. The association, in periodontitis, between inflammation, community biomass and community structure and their role in disease progression warrant further investigation.
Autism Spectrum Disorders: Experience, Training, and Confidence Levels of School-Based Speech-Language Pathologists
Authors: Plumb Allison M. , Plexico Laura W.
Published: January 2013

Purpose

To investigate the graduate training experiences of school-based speech-language pathologists (SLPs) working with children with autism spectrum disorders (ASDs). Comparisons were made between recent graduates (post 2006) and pre-2006 graduates to determine if differences existed in their academic and clinical experiences or their confidence in working with children with ASDs.

Method

A 46-item, web-based, national survey was used. Participants were recruited through e-mail and listservs for American Speech-Language-Hearing Association Special Interest Divisions 1 (Language, Learning, and Education) and 16 (School-Based Issues).

Results

Recent graduates reported a greater amount of graduate coursework relating to ASDs than pre-2006 graduates. However, the pre-2006 graduates reported significantly greater confidence in the areas of counseling parents of children who exhibit “red flags” of ASDs and addressing social communication, literacy, and academics in intervention.

Conclusion

Results of the current survey indicated an increase in the amount of preprofessional training that SLPs receive relating to ASDs. Nonetheless, the majority of SLPs reported that they could have benefitted from additional clinical experience and training working with children with ASDs. The greater degree of confidence reported by the pre-2006 graduates highlights the importance of experience and continuing education for professionals in the field of speech-language pathology.
A non-uniform finitary relational semantics of system
T
Authors: Vaux Lionel
Published: January 2013

We study iteration and recursion operators in the denotational semantics of typed
λ-calculi derived from the multiset relational model of linear logic.
Although these operators are defined as fixpoints of typed functionals, we prove them
finitary in the sense of Ehrhard’s finiteness spaces.
Large-eddy simulation of highly underexpanded transient gas jets
Authors: Vuorinen V. , Yu J. , Tirunagari S. , Kaario O. , Larmi M. , Duwig C. , Boersma B. J.
Published: January 2013

Large-eddy simulations (LES) based on scale-selective implicit filtering are carried out in order to study the effect of nozzle pressure ratios on the characteristics of highly underexpanded jets. Pressure ratios ranging from 4.5 to 8.5 with Reynolds numbers of the order 75 000–140 000 are considered. The studied configuration agrees well with the classical picture of the structure of highly underexpanded jets. Similarities and differences between simulation and experiments are discussed by comparing the concentration field structures from LES and planar laser induced fluorescence data. The transient stages, leading eventually to the highly underexpanded state, are visualized and investigated in terms of a phase diagram revealing the shock speeds and duration of the transient stages. For the studied nozzle pressure ratio range, the Mach disk dimensions are found to be in good agreement with literature data and experimental observations. It is observed how the nozzle pressure ratio influences the Mach disk width, and thereby the slip line separation, which leads to co-annular jets with inner and outer shear layers at higher pressure ratios. The improved mixing with increasing pressure ratio is demonstrated by the probability density functions of the concentration. The coherent structures downstream of the Mach disk are identified using proper orthogonal decomposition (POD). The structures indicate a helical mode originating from the shear layers of the jet. Despite the relatively low energy content of the dominant POD modes, the frequencies of the POD time coefficients explain the dominant frequencies in the pressure fluctuation spectra.
Studying atomic scale structural and electronic properties of ion implanted silicon samples using cross-sectional scanning tunneling microscopy
Authors: Studer Philipp , Schofield Steven R. , Hirjibehedin Cyrus F. , Curson Neil J.
Published: January 2013

The atomic scale structural and electronic characteristics of a silicon sample implanted with bismuth atoms are investigated using cross-sectional scanning tunneling microscopy (XSTM) and scanning tunneling spectroscopy (STS). We demonstrate that cleaving ion implanted samples provides an effective room temperature route for the preparation of atomically flat silicon surfaces with low defect density, preventing the diffusion of volatile impurities such as dopants. This enables atomic resolution STM studies of solitary implanted impurity atoms in their intrinsic silicon crystal sites and further allows us to map out a depth profile of the band-structure of the implanted area using STS.
Buckling of a cantilever plate uniformly loaded in its plane with applications to surface stress and thermal loads
Authors: Lachut Michael J. , Sader John E.
Published: January 2013

Buckling of elastic structures can occur for loads well within the proportionality limit of their constituent materials. Given the ubiquity of beams and plates in engineering design and application, their buckling behavior has been widely studied. However, buckling of a cantilever plate is yet to be investigated, despite the widespread use of cantilevers in modern technological developments. Here, we address this issue and theoretically study the buckling behavior of a cantilever plate that is uniformly loaded in its plane. Applications of this fundamental problem include loading due to uniform temperature and surface stress changes. This is achieved using a scaling analysis and full three-dimensional numerical solution, leading to explicit formulas for the buckling loads. Unusually, we observe buckling for both tensile and compressive loads, the physical mechanisms for which are explored. We also examine the practical implications of these findings to modern developments in ultra sensitive micro- and nano-cantilever sensors, such as those composed of silicon nitride and graphene.
Direct method for measuring the canting angle of magnetization
Authors: Hille M. , Frauen A. , Beyersdorff B. , Kobs A. , Heße S. , Frömter R. , Oepen H. P.
Published: January 2013

We present a method to accurately determine the canting angle of magnetization in Co/Pt multilayers by utilizing magnetoresistance effects. In a current-in-plane geometry, the longitudinal voltage drop is determined as a function of the direction of an externally applied magnetic field. The field strength is sufficient to prevent domain decay. Measuring the change of resistance for two slightly differing field strengths allows the determination of the canting angle with high accuracy.
Room-temperature sign reversed spin accumulation signals in silicon-based devices using an atomically smooth Fe3Si/Si(111) contact
Authors: Fujita Y. , Yamada S. , Ando Y. , Sawano K. , Itoh H. , Miyao M. , Hamaya K.
Published: January 2013

We demonstrate a reliable sign-reversed spin signal detected by three-terminal Hanle effect measurements at room temperature in the Si-based lateral devices with one Fe3Si/Si(111) Schottky-tunnel contact. Theoretical calculations of the spin polarized density of states suggest the sign difference in the spin polarization (P) between the two types of Fe3Si/Si(111) interfaces. Actually, we directly observe the atomic steps at the Fe3Si/Si(111) interface, implying that there is a possible origin of the sign difference in the spin polarization (P) between spin-injection region and spin-detection one in one contact. The reliable sign-reversed spin signals support that the injected spins are transported laterally in the Si channel even for the three-terminal Hanle-effect measurements.
Measuring the energy flux at the substrate position during magnetron sputter deposition processes
Authors: Cormier P.-A. , Balhamri A. , Thomann A.-L. , Dussart R. , Semmar N. , Mathias J. , Snyders R. , Konstantinidis S.
Published: January 2013

In this work, the energetic conditions at the substrate were investigated in dc magnetron sputtering (DCMS), pulsed dc magnetron sputtering (pDCMS), and high power impulse magnetron sputtering (HiPIMS) discharges by means of an energy flux diagnostic based on a thermopile sensor, the probe being set at the substrate position. Measurements were performed in front of a titanium target for a highly unbalanced magnetic field configuration. The average power was always kept to 400 W and the probe was at the floating potential. Variation of the energy flux against the pulse peak power in HiPIMS was first investigated. It was demonstrated that the energy per deposited titanium atom is the highest for short pulses (5 μs) high pulse peak power (39 kW), as in this case, the ion production is efficient and the deposition rate is reduced by self-sputtering. As the argon pressure is increased, the energy deposition is reduced as the probability of scattering in the gas phase is increased. In the case of the HiPIMS discharge run at moderate peak power density (10 kW), the energy per deposited atom was found to be lower than the one measured for DCMS and pDCMS discharges. In these conditions, the HiPIMS discharge could be characterized as soft and close to a pulsed DCMS discharge run at very low duty cycle. For the sake of comparison, measurements were also carried out in DCMS mode with a balanced magnetron cathode, in the same working conditions of pressure and power. The energy flux at the substrate is significantly increased as the discharge is generated in an unbalanced field.
Quantum dynamics in phase space: Moyal trajectories 2
Authors: Braunss G.
Published: January 2013

Continuing a previous paper [G. Braunss, J. Phys. A: Math. Theor. 43, 025302 (2010)10.1088/1751-8113/43/2/025302] where we had calculated ℏ2-approximations of quantum phase space viz. Moyal trajectories of examples with one and two degrees of freedom, we present in this paper the calculation of ℏ2-approximations for four examples: a two-dimensional Toda chain, the radially symmetric Schwarzschild field, and two examples with three degrees of freedom, the latter being the nonrelativistic spherically Coulomb potential and the relativistic cylinder symmetrical Coulomb potential with a magnetic field H. We show in particular that an ℏ2-approximation of the nonrelativistic Coulomb field has no singularity at the origin (r = 0) whereas the classical trajectories are singular at r = 0. In the third example, we show in particular that for an arbitrary function γ(H, z) the expression β ≡ pz + γ(H, z) is classically (ℏ = 0) a constant of motion, whereas for ℏ ≠ 0 this holds only if γ(H, z) is an arbitrary polynomial of second order in z. This statement is shown to extend correspondingly to a cylinder symmetrical Schwarzschild field with a magnetic field. We exhibit in detail a number of properties of the radially symmetric Schwarzschild field. We exhibit finally the problems of the nonintegrable Hénon-Heiles Hamiltonian and give a short review of the regular Hilbert space representation of Moyal operators.
Design and demonstration of multimodal optical scanning microscopy for confocal and two-photon imaging
Authors: Chun Wanhee , Do Dukho , Gweon Dae-Gab
Published: January 2013

We developed a multimodal microscopy based on an optical scanning system in order to obtain diverse optical information of the same area of a sample. Multimodal imaging researches have mostly depended on a commercial microscope platform, easy to use but restrictive to extend imaging modalities. In this work, the beam scanning optics, especially including a relay lens, was customized to transfer broadband (400–1000 nm) lights to a sample without any optical error or loss. The customized scanning optics guarantees the best performances of imaging techniques utilizing the lights within the design wavelength. Confocal reflection, confocal fluorescence, and two-photon excitation fluorescence images were obtained, through respective implemented imaging channels, to demonstrate imaging feasibility for near-UV, visible, near-IR continuous light, and pulsed light in the scanning optics. The imaging performances for spatial resolution and image contrast were verified experimentally; the results were satisfactory in comparison with theoretical results. The advantages of customization, containing low cost, outstanding combining ability and diverse applications, will contribute to vitalize multimodal imaging researches.
The potential energy function of the ground electronic state of 16O2
Authors: Hajigeorgiou Photos G.
Published: January 2013

The potential energy function of the ground X ${}^3\Sigma _g^ - $Σg−3 electronic state of 16O2 has been obtained in analytical form by employing a fully quantum-mechanical direct potential fitting method. Term values generated from highly precise Dunham coefficients were employed in the direct fit, yielding a potential energy function that is accurate up to υ = 31, or up to an energy that is 90% of the dissociation limit. The term values are represented with a standard deviation of 0.0031 cm−1 by the quantum-mechanical eigenvalues of the derived potential energy function. There is considerable evidence for N-dependent nonadiabatic coupling between the ground X ${}^3\Sigma _g^ - $Σg−3 electronic state and the b ${}^1\Sigma _g^ + $Σg+1 excited electronic state.
Non-Markovian stochastic Schrödinger equation at finite temperatures for charge carrier dynamics in organic crystals
Authors: Zhong Xinxin , Zhao Yi
Published: January 2013

A new non-Markovian stochastic Schrödinger equation at finite temperatures is presented to correctly describe charge carrier dynamics in organic molecular crystals. The electron-phonon interactions in both site energies and electronic couplings are incorporated by the time-dependent complex-valued random fluctuations which are generated from corresponding spectral density functions. The approach is thus easily extended to investigate coherent-to-hopping charge transfer in systems with thousands of molecular sites. The capability of present approach is demonstrated by numerical simulations of carrier dynamics in the spin-boson model and a realistic Fenna-Matthews-Olson complex. The results manifest that the non-Markovian effect and complex-valued random forces are essential to guarantee the detailed balance. In an application to a long-chain donor-acceptor system, it is also interesting to find a property of coherent-to-hopping charge transfer from temperature dependence of diffusion coefficients.
Design considerations for tailoring the thickness profile of transparent dielectric deposits by continuous-wave laser deposition
Authors: González-Leal J. M. , Valverde J.
Published: January 2013

The distribution of a transparent dielectric material deposited onto a planar substrate by a continuous-wave laser is studied concerning the dependence on the light-intensity distribution. Theory is derived to model the thickness profile of the condensed material, with the aim of supporting the fabrication of free-from optics. Experiments have been performed to test the theory on the basis of an infrared-transmitting chalcogenide glass.
Microscopic theory of the glassy dynamics of passive and active network materials
Authors: Wang Shenshen , Wolynes Peter G.
Published: January 2013

Signatures of glassy dynamics have been identified experimentally for a rich variety of materials in which molecular networks provide rigidity. Here we present a theoretical framework to study the glassy behavior of both passive and active network materials. We construct a general microscopic network model that incorporates nonlinear elasticity of individual filaments and steric constraints due to crowding. Based on constructive analogies between structural glass forming liquids and random field Ising magnets implemented using a heterogeneous self-consistent phonon method, our scheme provides a microscopic approach to determine the mismatch surface tension and the configurational entropy, which compete in determining the barrier for structural rearrangements within the random first order transition theory of escape from a local energy minimum. The influence of crosslinking on the fragility of inorganic network glass formers is recapitulated by the model. For active network materials, the mapping, which correlates the glassy characteristics to the network architecture and properties of nonequilibrium motor processes, is shown to capture several key experimental observations on the cytoskeleton of living cells: Highly connected tense networks behave as strong glass formers; intense motor action promotes reconfiguration. The fact that our model assuming a negative motor susceptibility predicts the latter suggests that on average the motorized processes in living cells do resist the imposed mechanical load. Our calculations also identify a spinodal point where simultaneously the mismatch penalty vanishes and the mechanical stability of amorphous packing disappears.
Statistics of modifier distributions in mixed network glasses
Authors: Mauro John C.
Published: January 2013

The constituents of any network glass can be broadly classified as either network formers or network modifiers. Network formers, such as SiO2, Al2O3, B2O3, P2O5, etc., provide the backbone of the glass network and are the primary source of its rigid constraints. Network modifiers play a supporting role, such as charge stabilization of the network formers or alteration of the network topology through rupture of bridging bonds and introduction of floppy modes. The specific role of the modifiers depends on which network formers are present in the glass and the relative free energies of modifier interactions with each type of network former site. This variation of free energy with modifier speciation is responsible for the so-called mixed network former effect, i.e., the nonlinear scaling of property values in glasses having fixed modifier concentration but a varying ratio of network formers. In this paper, a general theoretical framework is presented describing the statistical mechanics of modifier speciation in mixed network glasses. The model provides a natural explanation for the mixed network former effect and also accounts for the impact of thermal history and relaxation on glass network topology.