bluuebunny/crossref_metadata_2025_split huggingface dataset:
Quantitative Analysis of a Textured Coating by a New X-Ray Diffraction Method
Authors: Gu Mingyuan , Marder A.R. 
Published: January 2013

AbstractAn iterative external standard method of X-ray diffraction is presented to overcome the difficulties of preferred orientation and peak overlap encountered in quantitative phase analysis. Instead of using only a single line intensity in the traditional external standard technique, all the reflection data are used in the calculation. The accuracy and applicability of this method was tested on a series of two-phase powder mixtures with known composition. The results show markedly good agreement with the actual values. As an example, the analysis was applied to the data collected from an as plated electrodeposited Zn-Fe coating. The determined phase composition of the coating was found to be 88.2 +/− 5.3 wt % δ-phase and 11.8 +/− 0.7 wt % η -phase.
X-Ray Powder Diffraction Data for 2,2′,2″-triaminotriethylamine-trihydrochloride
Authors: Lundtoft Britta , Rasmussen Svend Erik 
Published: January 2013

AbstractX-ray powder diffraction data for the compound 2,2′,2″-triaminotriethylamine-trihydrochloride, N-(CH2−CH2−NH2)3(HCL)3are reported. The crystals are cubic and the space group is P213 with a = 10.8734(12) Å. Dx= 1.320Mg/m3. The data were obtained both by photographic and diffractometric methods.
Powder Diffraction Data for Nitroguanidine, C(NH2)2NNO2
Authors: Vasil'ev E.K. , Sapozhnivov A.N. , Dobronravova Z.A. , Vereshchagin L.I. 
Published: January 2013

AbstractA powder diffraction pattern and unit cell data for nitroguanidine, C(NH2)2NNO2 are presented. The orthorhombic space group Fdd2 (43) has been confirmed by single crystal methods.
Crystal Data and Solid-Liquid Transformation Study by DSC of 2 Hydroxymethyl-2 methyl-1,3 propanediol tetrahydrate
Authors: Laügt M. , Teisseire M. , Guion J. 
Published: January 2013

Abstract2 Hydroxymethyl-2 methyl-1,3 propanediol tetrahydrate has been crystallised from aqueous solutions in the form of transparent tetragonal thin plates. The cell parameters of the unit cell were determined as a = 9.102(1) Å, c = 47.654(6) Å and the space group is I41/ a.Solid liquid and reverse transformations have been studied by DSC, and a melting enthalpy of 185 kJ.kg−1 at 29.8° C determined.
Refinement of the Structure of MnSi by Powder Diffraction
Authors: Jørgensen Jens-Erik , Rasmussen Svend Erik 
Published: January 2013

AbstractCrystal data and results of structure refinements for MnSi are reported. The material is cubic, P213, with a = 4.5603(2) Å, Vd = 94.84(1) Å3, Z = 4, Dx = 5.815 Mg/m3. Intensity data were obtained from a Stoe transmission type diffractometer equipped with a position sensitive detector. CuKα1 radiation, λ = 1.5405981 Å was employed. Germanium was used as an internal standard for the determination of the lattice constant (aGe= 5.6582 Å). The structure was refined by the Rietveld method by aid of three different programs.
Crystal and X-Ray Powder Data for a New Organic Diphosphate [NH3(CH2)2NH3]2·P207
Authors: Kamoun Slaheddine 
Published: January 2013

AbstractWith the help of Boulle's metathesis reaction, we have succeeded in preparing the compound [NH3(CH2)2NH3]2·P207. We describe its chemical preparation and main crystallographic features. The bis(ethylenediammonium) diphosphate salt is monoclinic, space group C2/c, with Z = 4. Unit cell parameters and powder diffraction data for this salt are reported.
The Crystal Structure of K2REZr(PO4)3(RE = Y, Gd) Isotypic with Langbeinite
Authors: Wulff H. , Guth U. , Loescher B. 
Published: January 2013

AbstractK2YZr(PO4)3and K2GdZr(PO4)3were found to have the langbeinite-type structure (K2Mg2(SO4)3). We determined the crystal structure of these compounds from powder diffraction data. They are cubic P213 (no. 198), with a = 10.3346(1)Å and a = 10.3457(3)Å respectively. The intensity values we observed and calculated are reported. Intensity measurements indicate a random distribution of Y3+(Gd3+) and Zr4+on both Mg2+sites of langbeinite.
The ICDD/PDF Coverage of the High Tc Superconductor and Related Compounds in the A-R-Cu-O Systems (A = Ba, Sr and Ca, and R = Lanthanides and Y)
Authors: Wong-Ng Winnie 
Published: January 2013

AbstractA compilation has been made of the X-ray powder diffraction patterns of the high Tc superconductor and related phases in the systems of Ba-R-Cu-O, Sr-R-Cu-O and Ca-R-Cu-O, where R = yttrium and lanthanides. In addition to the patterns of compounds found in these systems, other related compounds included are cation substitution products of the high Tc phases of Ba2RCu2O6+x, potential reaction products with different types of sample containers, and selected thin-film substrates. The International Centre for Diffraction Data/Powder Diffraction file (ICDD/PDF) coverage includes Sets 1 to 41. A cross correlation of these phases with those reported in Phase Diagrams For Ceramists (PDFC), has also been completed. Results of these efforts are tabulated.
On Indexing X-Ray Diffraction Powder Patterns of Cubic Lazurites with an Incommensurate-Modulated Structure
Authors: Sapozhnikov A.N. , Vasil'ev E.K. , Bayliss P. 
Published: January 2013

AbstractThe modulation of the lazurite structure has been determined by X-ray diffraction methods. The indexing of satellites on X-ray diffraction powder patterns has been made by means of single crystal X-ray diffraction patterns. The irrationality of the satellite distance from the basic reflections in some specimens of isotropic lazurite confirms the incommensurability of the wavelength of modulation by an edge magnitude of the sodalite subcell and the necessity of a fractional mineral lattice. X-ray diffraction powder data of lazurites with different periods of incommensurate-modulated structure are established. Modulation structure parameters are 0.217 and 0.175, respectively. Indexing of X-ray diffraction powder data of cubic Baikal lazurite suggested by the PDF editorial staff is considered.
A Geometric Factor for Asymmetric Diffraction
Authors: Dragoi Danut 
Published: January 2013

AbstractIn many experiments on X-ray stress analysis, the tilt angle Ψ shows that for a given peak the integrated intensity function of Ψ is not a constant. In this paper a geometric factor is described which corrects the integrated intensity in asymmetric X-ray diffraction. The defocussing effect, always present in asymmetric X-ray diffraction, reduces the number of diffracted X-ray photons registered by the detector. For a θ/2θ diffractometer, the new correction was found to be dependent on the divergence angle of source and detector slit, the tilt angle Ψ and the Bragg angle θ.The experimental results corrected with the proposed factor are in good agreement with the theory in limits of acceptable errors.
Crystal Data for Complexes of Co(II) and Ni(II) Perchlorates with Mepirizole
Authors: Amigó J.M. , Ochando L.E. , Reventós M.M. , García-Lozano J. , Soto-Tuero L. 
Published: January 2013

AbstractMetal mepirizole perchlorates, M(C11H14N4O2)3 (C104)2 where M = Co(II) and Ni(II) have been investigated by means of X-ray powder diffraction. Unit cell dimensions were determined by indexing programs from diffractometer data. Refined cell parameters (monoclinic with a C-centered cell), calculated density and Z values are presented.
A FORTRAN Program for Conversion of PC-APD Data Files into ASCII Files
Authors: Karanović Lj. , Poleti D. 
Published: January 2013

Recently, Dahan and co-workers (Dahan, 1991) suggested processing the XRD data by spreadsheet computer programs. Treated in this manner the XRD data became very flexible and made comparison with other data sets, as well as graphical presentation, much easier. In this note a simple FORTRAN 77 program for conversion of PC-APD data files into ASCII files suitable for import into spreadsheets is reported.In our laboratory XRD data are collected on a Philips 1710 diffractometer operated by the PC-APD version 2.0 (PC-APD Software, 1989). Each experiment usually generates its files containing collected raw intensity data (.RD file), background data (.BK file) and file with peak positions and their intensities (.DI file). The XRD data can be further processed: after smoothing, data are stored in files with extension .SM (.SM file) and, after Kα2 stripping, into files with extension .A2 (.A2 file). All files are stored in the binary format.
The Use of Reference Intensity Ratios in X-Ray Quantitative Analysis
Authors: Snyder Robert L. 
Published: January 2013

AbstractEach of the RIR based methods for carrying out quantitative X-ray powder diffraction analysis are described and a consistent set of notation is developed. The so called “standardless” analysis procedures are shown to be a special case of the internal-standard method of analysis where the normalizing assumption is used. All analytical methods, other than the Rietveld whole pattern matching procedure, require the use of explicitly measured standards, typically in the form of RIR values. However, if only semi-quantitative results can be tolerated, the standards may be obtained by using published RIR and relative intensity values. The exciting new techniques of whole pattern fitting and Rietveld constrained quantitative analysis are also described in RIR notation and shown also to be forms of the internal-standard method with the normalization assumption. The quantitative results obtained from Rietveld quantitative analysis are derived from computed standards in the form of computed, normalized, RIRN values. The normalization assumption in Rietveld analysis allows the exclusive use of computed standards and comes as close to a “standardless” analysis as one can achieve: relying on the absence of amorphous material and on the validity of the structural models. Relationships are given for obtaining quantitative analysis from these RIRN values obtainable from the least-squares scale factors.
Simultaneous Determination of Layer Thickness, Composition, and Mass Absorption by X-Ray Diffraction
Authors: Battaglia Stefano , Franzini Marco , Leoni Leonardo 
Published: January 2013

AbstractThis paper describes a new method for the simultaneous determination of mineral composition, mass thickness and mass absorption coefficient of a thin layer of a crystalline substance deposited on a crystalline substrate.The samples were deposited on membrane disc filters, consisting of mixtures of cellulose acetate and cellulose nitrate. Quantitative results are achieved by measuring the diffraction intensity of the analyte and the attenuation of a reflection of the crystalline material supporting the deposited sample. The mean accuracy of the analysis was found to be: ≈ 3% for mass thickness, ≈ 1% for mass absorption coefficient and ≈ 4% for quantitative mineralogical determination.
X-Ray Determination of a Crystal System
Authors: Runge C. 
Published: January 2013

The Debye Scherrer method (1917) of determining a crystal system by observation of X-ray interferences on randomly oriented crystal particles amounts in the mathematical problem to deriving quadratic equations for three variables from unknown integer multiples of these variables. In my opinion it is not only physically, but also mathematically reasonable to treat this problem from a geometrical point of view. Let L,M, and N be three non-parallel vectors. Vectors P can be derived by multiplication with the integers n1, n2 and n3, so thatP = n1L + n2 M + n3 N.
Crystal Structure of the High-Temperature Phase of a Compound Sr2ZnWO6
Authors: Zhengmin Fu , Wenxiu Li 
Published: January 2013

AbstractThe crystal structure of the high-temperature phase of Sr2ZnWO6 prepared by air quenching from 1200° C has been determined by means of X-ray powder diffraction. β-Sr2ZnWO6 belongs to the cubic system, with space group Fm3m and a lattice parameter a = 7.9266 Å at room temperature. Its measured density is Dm = 6.93g/cm3, and each unit cell contains four formula weights.
High phenotypic variation of seed traits, germination characteristics and genetic diversity of an invasive annual weed
Authors: Hantsch Lydia , Bruelheide Helge , Erfmeier Alexandra 
Published: January 2013

AbstractBoth phenotypic and genetic variation can affect the establishment success of exotic species. Using the weed Senecio vernalis Waldst. & Kit. with a continuous westward expansion of the native geographic range, we asked to what degree seed traits and germination patterns differ among different habitat disturbance types in the introduced region. We hypothesized that seed traits and germination pattern differ between different disturbance types, with lighter seeds and enhanced germination speed in highly disturbed habitats. Since S. vernalis colonizes successfully various disturbed habitats, we expected to find a high phenotypic genetic variation. Individuals from 19 populations were sampled from one region in Eastern Germany to study seed trait variation and germination success by means of a germination experiment and to assess genetic patterns using amplified fragment length polymorphism (AFLP) markers. Contrary to our expectation, habitat disturbance types did not differ in seed traits, germination characteristics or genetic variation. Instead, we found highest phenotypic and genetic variation within populations. Maximum percentage of germination was positively affected by seed mass. In addition, there was a weak but significant association between AFLP band patterns and population size and seed width, indicating that some variation in seed traits has a genetic component. In conclusion, the absence of a population differentiation at this geographic scale makes it unlikely that adaptation to different disturbance regimes is involved. Instead, a high variation in seed traits, overall high germination and genetic variation within populations under a wide range of habitat disturbance conditions seems to enable the offspring to colonize various habitat disturbance types.
Termination of hull-imposed dormancy in developing barley grains is correlated with changes in embryonic ABA levels and sensitivity
Authors: Benech-Arnold Roberto L. , Cristina Giallorenzi M. , Frank Julieta , Rodriguez Verónica 
Published: January 2013

AbstractWe studied changes in dormancy (as imposed by the different structures surrounding the embryo, namely, endosperm, pericarp and glumellae) and its relationship with changes in embryonic ABA levels and sensitivity, in developing grains of two commercial barley cultivars: B 1215 and Quilmes Palomar, which have, respectively, a low and high dormancy level at harvest and, consequently, a contrasting sprouting behaviour in rainy years. Dormancy imposed by endosperm plus pericarp was gradually and similarly alleviated throughout development in both cultivars. The presence of the hull (glumellae), in contrast, completely inhibited germination of grains from both cultivars until physiological maturity (PM). From there on, hull-imposed dormancy was removed abruptly in B 1215 grains, while in Q. Palomar ones, it was removed at a much lower rate. This difference determined the contrasting sprouting behaviour of these two cultivars within the ‘time window’ going from PM to crop harvest. Embryonic ABA content and sensitivity were similar in the two cultivars throughout development until PM. From there on, ABA content and sensitivity in B 1215 embryos declined dramatically coinciding with the abrupt termination of hull-imposed dormancy observed in this cultivar. In contrast, ABA levels in Q. Palomar embryos remained high for longer and sensitivity to ABA declined at a much slower rate. This correlation suggests that hull-imposed dormancy in barley might be regulated by embryonic ABA levels and / or sensitivity. Inhibition of GA synthesis with paclobutrazol applied after anthesis lowered the germination capacity of grains from both cultivars without altering that of the naked caryopses, thus further suggesting that hull-imposed dormancy is under hormonal control.
Medical oncologists' perception of palliative care programs and the impact of name change to supportive care on communication with patients during the referral process. A qualitative study
Authors: Rhondali Wadih , Burt Stephanie , Wittenberg-Lyles Elaine , Bruera Eduardo , Dalal Shalini 
Published: January 2013

AbstractObjective:In a simultaneous care model, patients have concurrent access to both cancer-directed therapies and palliative care. As oncologists play a critical role in determining the need/timing of referral to palliative care programs, their understanding of the service and ability to communicate this with patients is of paramount importance. Our study aimed to examine oncologists' perceptions of the supportive care program at M.D. Anderson Cancer Center, and to determine whether renaming “palliative care” to “supportive care” influenced communication regarding referrals.Method:This qualitative study used semi-directed interviews, and we analyzed data using grounded theory and qualitative methods.Results:We interviewed 17 oncologists. Supportive care was perceived as an important time-saving application, and symptom control, transitioning to end-of-life care, family counseling, and improving patients' ability to tolerate cancer therapies were cited as important functions. Although most claimed that early referrals to the service are preferable, oncologists identified several challenges, related to the timing and communication with patients regarding the referral, as well as with the supportive care team after the referral was made. Whereas oncologists stated that the name change had no impact on their referral patterns, the majority supported it, as they perceived their patients preferred it.Significance of results:Although the majority of oncologists favorably viewed supportive care, communication barriers were identified, which need further confirmation. Simultaneous care models that effectively incorporate palliative care with cancer treatments need further development.
Coral reef invertebrate microbiomes correlate with the presence of photosymbionts
Authors: Bourne David G , Dennis Paul G , Uthicke Sven , Soo Rochelle M , Tyson Gene W , Webster Nicole 
Published: January 2013

Abstract
Coral reefs provide habitat for an array of marine invertebrates that host symbiotic microbiomes. Photosynthetic symbionts including Symbiodinium dinoflagellates and diatoms potentially influence the diversity of their host-associated microbiomes by releasing carbon-containing photosynthates and other organic compounds that fuel microbial metabolism. Here we used 16S ribosomal RNA (rRNA) gene amplicon pyrosequencing to characterise the microbiomes of 11 common Great Barrier Reef marine invertebrate species that host photosynthetic symbionts and five taxa in which they are absent. The presence of photosynthetic symbionts influenced the composition but not the species richness, evenness and phylogenetic diversity of invertebrate-associated microbiomes. Invertebrates without photosynthetic symbionts were dominated by Alphaproteobacteria, whereas those hosting photosynthetic symbionts were dominated by Gammaproteobacteria. Interestingly, many microbial species from photosymbiont-bearing invertebrates, including Oceanospirillales spp., Alteromonas spp., Pseudomonas spp., Halomonas spp., are implicated in the metabolism of dimethylsulfoniopropionate (DMSP). DMSP is produced in high concentrations by photosynthetic dinoflagellates and is involved in climate regulation by facilitating cloud formation. Microbiomes correlated with host taxa and replicate individuals from most sampled species grouped in distance-based redundancy analysis of retrieved 16S rRNA gene sequences. This study highlights the complex nature of invertebrate holobionts and confirms the importance of photosynthetic symbionts in structuring marine invertebrate bacterial communities.
Die Bedeutung von planen Aufbissschienen für die kieferorthopädische Diagnostik und Therapie
Authors: Harbo H. P. , Troest T. 
Published: January 2013

ZusammenfassungPlane Aufbissschienen haben sich bei der Behandlung von kraniomandibulären Dysfunktionen und bei der Wiederherstellung der Okklusion bewährt. Dieser Artikel ist eine praktische Anleitung dazu, wie wertvoll eine ganztägige Schienentherapie – in ausgewählten Fällen bei Hinweisen auf eine Kiefergelenkbeteiligung – für die kieferorthopädische Diagnose und Therapie sein kann.
HitWalker: variant prioritization for personalized functional cancer genomics
Authors: Bottomly Daniel , Wilmot Beth , Tyner Jeffrey W. , Eide Christopher A. , Loriaux Marc M. , Druker Brian J. , McWeeney Shannon K. 
Published: January 2013

Abstract
Summary: Determining the functional relevance of identified sequence variants in cancer is a prerequisite to ultimately matching specific therapies with individual patients. This level of mechanistic understanding requires integration of genomic information with complementary functional analyses to identify oncogenic targets and relies on the development of computational frameworks to aid in the prioritization and visualization of these diverse data types. In response to this, we have developed HitWalker, which prioritizes patient variants relative to their weighted proximity to functional assay results in a protein–protein interaction network. It is highly extensible, allowing incorporation of diverse data types to refine prioritization. In addition to a ranked list of variants, we have also devised a simple shortest path-based approach of visualizing the results in an intuitive manner to provide biological interpretation.
Availability and implementation: The program, documentation and example data are available as an R package from www.biodevlab.org/HitWalker.html.
Contact: bottomly@ohsu.edu
Supplementary information: Supplementary data are available at Bioinformatics online.
Search result list evaluation versus document evaluation: similarities and differences
Authors: Xie Iris , Benoit Edward 
Published: January 2013

PurposeThe purpose of this study is to compare the evaluation of search result lists and documents, in particular evaluation criteria, elements, association between criteria and elements, pre/post and evaluation activities, and the time spent on evaluation.Design/methodology/approachThe study analyzed the data collected from 31 general users through prequestionnaires, think aloud protocols and logs, and post questionnaires. Types of evaluation criteria, elements, associations between criteria and elements, evaluation activities and their associated pre/post activities, and time were analyzed based on open coding.FindingsThe study identifies the similarities and differences of list and document evaluation by analyzing 21 evaluation criteria applied, 13 evaluation elements examined, pre/post and evaluation activities performed and time spent. In addition, the authors also explored the time spent in evaluating lists and documents for different types of tasks.Research limitations/implicationsThis study helps researchers understand the nature of list and document evaluation. Additionally, this study connects elements that participants examined to criteria they applied, and further reveals problems associated with the lack of integration between list and document evaluation. The findings of this study suggest more elements, especially at list level, be available to support users applying their evaluation criteria. Integration of list and document evaluation and integration of pre, evaluation and post evaluation activities for the interface design is the absolute solution for effective evaluation.Originality/valueThis study fills a gap in current research in relation to the comparison of list and document evaluation.