rf Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate By scripts.iucr.org Published On :: 2020-04-09 The asymmetric unit of the title compound, C22H31NO3, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)° to the heterocyclic ring. Individual molecules are linked by aromaticC—H⋯Ocarbonyl hydrogen bonds into chains running parallel to [001]. Slipped π–π stacking interactions between quinoline moieties link these chains into layers extending parallel to (100). Hirshfeld surface analysis, two-dimensional fingerprint plots and molecular electrostatic potential surfaces were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H⋯H (72%), O⋯H/H⋯O (14.5%) and C⋯H/H⋯C (5.6%) interactions. Full Article text
rf Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one By scripts.iucr.org Published On :: 2020-04-09 The title compound, C21H23F2NO, consists of two fluorophenyl groups and one butyl group equatorially oriented on a piperidine ring, which adopts a chair conformation. The dihedral angle between the mean planes of the phenyl rings is 72.1 (1)°. In the crystal, N—H⋯O and weak C—H⋯F interactions, which form R22[14] motifs, link the molecules into infinite C(6) chains propagating along [001]. A weak C—H⋯π interaction is also observed. A Hirshfeld surface analysis of the crystal structure indicates that the most significant contributions to the crystal packing are from H⋯H (53.3%), H⋯C/C⋯H (19.1%), H⋯F/F⋯H (15.7%) and H⋯O/O⋯H (7.7%) contacts. Density functional theory geometry-optimized calculations were compared to the experimentally determined structure in the solid state and used to determine the HOMO–LUMO energy gap and compare it to the UV–vis experimental spectrum. Full Article text
rf Synthesis and crystal structure of ABW-type SrFe1.40V0.60O4 By scripts.iucr.org Published On :: 2020-04-17 Single crystals of SrFe1.40V0.60O4, strontium tetraoxidodi[ferrate(III)/vanadate(III)], have been obtained as a side product in the course of sinter experiments aimed at the synthesis of double perovskites in the system SrO–Fe2O3–V2O5. The crystal structure can be characterized by layers of six-membered rings of TO4-tetrahedra (T: FeIII, VIII) perpendicular to [100]. Stacking of the layers along [100] results in a three-dimensional framework enclosing tunnel-like cavities in which SrII cations are incorporated for charge compensation. The sequence of directedness of up (U) and down (D) pointing vertices of neighboring tetrahedra in a single six-membered ring is UUUDDD. The topology of the tetrahedral framework belongs to the zeolite-type ABW. Full Article text
rf 2-[(2,4,6-Trimethylbenzene)sulfonyl]phthalazin-1(2H)-one: crystal structure, Hirshfeld surface analysis and computational study By scripts.iucr.org Published On :: 2020-04-21 The X-ray crystal structure of the title phthalazin-1-one derivative, C17H16N2O3S {systematic name: 2-[(2,4,6-trimethylbenzene)sulfonyl]-1,2-dihydrophthalazin-1-one}, features a tetrahedral sulfoxide-S atom, connected to phthalazin-1-one and mesityl residues. The dihedral angle [83.26 (4)°] between the organic substituents is consistent with the molecule having the shape of the letter V. In the crystal, phthalazinone-C6-C—H⋯O(sulfoxide) and π(phthalazinone-N2C4)–π(phthalazinone-C6) stacking [inter-centroid distance = 3.5474 (9) Å] contacts lead to a linear supramolecular tape along the a-axis direction; tapes assemble without directional interactions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of the C—H⋯O and π-stacking interactions but, also H⋯H and C—H⋯C contacts. The calculation of the interaction energies indicate the importance of dispersion terms with the greatest energies calculated for the C—H⋯O and π-stacking interactions. Full Article text
rf Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4H-imidazo[4,5-b]pyridine By scripts.iucr.org Published On :: 2020-04-21 The title compound, C24H30Br2N4O2, consists of a 2-(4-nitrophenyl)-4H-imidazo[4,5-b]pyridine entity with a 12-bromododecyl substituent attached to the pyridine N atom. The middle eight-carbon portion of the side chain is planar to within 0.09 (1) Å and makes a dihedral angle of 21.9 (8)° with the mean plane of the imidazolopyridine moiety, giving the molecule a V-shape. In the crystal, the imidazolopyridine units are associated through slipped π–π stacking interactions together with weak C—HPyr⋯ONtr and C—HBrmdcyl⋯ONtr (Pyr = pyridine, Ntr = nitro and Brmdcyl = bromododecyl) hydrogen bonds. The 12-bromododecyl chains overlap with each other between the stacks. The terminal –CH2Br group of the side chain shows disorder over two resolved sites in a 0.902 (3):0.098 (3) ratio. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯H (48.1%), H⋯Br/Br⋯H (15.0%) and H⋯O/O⋯H (12.8%) interactions. The optimized molecular structure, using density functional theory at the B3LYP/ 6–311 G(d,p) level, is compared with the experimentally determined structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap. Full Article text
rf Crystal structure and Hirshfeld surface analysis of 2-phenyl-1H-phenanthro[9,10-d]imidazol-3-ium benzoate By scripts.iucr.org Published On :: 2020-04-24 In the title compound, C21H15N2+·C7H5O2−, 2-phenyl-1H-phenanthro[9,10-d]imidazole and benzoic acid form an ion pair complex. The system is consolidated by hydrogen bonds along with π–π interactions and N—H⋯π interactions between the constituent units. For a better understanding of the crystal structure and intermolecular interactions, a Hirshfeld surface analysis was performed. Full Article text
rf Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate By scripts.iucr.org Published On :: 2020-04-24 The title compound, C22H17NO2·C3H7NO, was synthesized by condensation of an aromatic aldehyde with a secondary amine and subsequent reduction. It was crystallized from a dimethylformamide solution as a monosolvate, C22H17NO2·C3H7NO. The aromatic molecule is non-planar with a dihedral angle between the mean planes of the aniline moiety and the methyl anthracene moiety of 81.36 (8)°. The torsion angle of the Caryl—CH2—NH—Caryl backbone is 175.9 (2)°. The crystal structure exhibits a three-dimensional supramolecular network, resulting from hydrogen-bonding interactions between the carboxylic OH group and the solvent O atom as well as between the amine functionality and the O atom of the carboxylic group and additional C—H⋯π interactions. Hirshfeld surface analysis was performed to quantify the intermolecular interactions. Full Article text
rf Crystal structure and Hirshfeld surface analysis of 6-benzoyl-3,5-diphenylcyclohex-2-en-1-one By scripts.iucr.org Published On :: 2020-04-21 In the title compound, C25H20O2, the central cyclohexenone ring adopts an envelope conformation. The mean plane of the cyclohexenone ring makes dihedral angles of 87.66 (11) and 23.76 (12)°, respectively, with the two attached phenyl rings, while it is inclined by 69.55 (11)° to the phenyl ring of the benzoyl group. In the crystal, the molecules are linked by C—H⋯O and C—H⋯π interactions, forming a three-dimensional network. Full Article text
rf Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-chlorophenyl)-5-cyclopropyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide By scripts.iucr.org Published On :: 2020-04-30 The title compound, C19H17ClN4O2, was obtained via a two-step synthesis involving the enol-mediated click Dimroth reaction of 4-azidoanisole with methyl 3-cyclopropyl-3-oxopropanoate leading to the 5-cyclopropyl-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylic acid and subsequent acid amidation with 4-chloroaniline by 1,1'-carbonyldiimidazole (CDI). It crystallizes in space group P21/n, with one molecule in the asymmetric unit. In the extended structure, two molecules arranged in a near coplanar fashion relative to the triazole ring planes are interconnected by N—H⋯N and C—H⋯N hydrogen bonds into a homodimer. The formation of dimers is a consequence of the above interaction and the edge-to-face stacking of aromatic rings, which are turned by 58.0 (3)° relative to each other. The dimers are linked by C—H⋯O interactions into ribbons. DFT calculations demonstrate that the frontier molecular orbitals are well separated in energy and the HOMO is largely localized on the 4-chlorophenyl amide motif while the LUMO is associated with aryltriazole grouping. A Hirshfeld surface analysis was performed to further analyse the intermolecular interactions. Full Article text
rf Compressive strain formation in surface-damaged crystals By scripts.iucr.org Published On :: 2020-04-23 The mechanism of formation of residual strain in crystals with a damaged surface has been studied by transmission electron microscopy in GaAs wafers ground with sandpaper. The samples showed a dislocation network located near the sample surface penetrating to a depth of a few micrometres, comparable to the size of abrasive particles used for the treatment, and no other types of defects were observed. A simple model for the formation of a compressive strain induced by the dislocation network in the damaged layer is proposed, in satisfactory agreement with the measured strain. The strain is generated by the formation of dislocation half-loops at the crystal surface, having the same component of the Burgers vectors parallel to the surface of the crystal. This is equivalent to the insertion of extra half-planes from the crystal surface to the depth of the damaged zone. This model can be generalized for other crystal structures. An approximate calculation of the strain generated from the observed dislocation distribution in the sample agrees with the proposed model and permits the conclusion that this mechanism is in general sufficient to explain the observed compressive strain, without the need to consider other types of defects. Full Article text
rf A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface By scripts.iucr.org Published On :: 2020-03-28 Human septins 3, 9 and 12 are the only members of a specific subgroup of septins that display several unusual features, including the absence of a C-terminal coiled coil. This particular subgroup (the SEPT3 septins) are present in rod-like octameric protofilaments but are lacking in similar hexameric assemblies, which only contain representatives of the three remaining subgroups. Both hexamers and octamers can self-assemble into mixed filaments by end-to-end association, implying that the SEPT3 septins may facilitate polymerization but not necessarily function. These filaments frequently associate into higher order complexes which associate with biological membranes, triggering a wide range of cellular events. In the present work, a complete compendium of crystal structures for the GTP-binding domains of all of the SEPT3 subgroup members when bound to either GDP or to a GTP analogue is provided. The structures reveal a unique degree of plasticity at one of the filamentous interfaces (dubbed NC). Specifically, structures of the GDP and GTPγS complexes of SEPT9 reveal a squeezing mechanism at the NC interface which would expel a polybasic region from its binding site and render it free to interact with negatively charged membranes. On the other hand, a polyacidic region associated with helix α5', the orientation of which is particular to this subgroup, provides a safe haven for the polybasic region when retracted within the interface. Together, these results suggest a mechanism which couples GTP binding and hydrolysis to membrane association and implies a unique role for the SEPT3 subgroup in this process. These observations can be accounted for by constellations of specific amino-acid residues that are found only in this subgroup and by the absence of the C-terminal coiled coil. Such conclusions can only be reached owing to the completeness of the structural studies presented here. Full Article text
rf Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices By scripts.iucr.org Published On :: 2019-08-22 Olfactomedins are a family of modular proteins found in multicellular organisms that all contain five-bladed β-propeller olfactomedin (OLF) domains. In support of differential functions for the OLF propeller, the available crystal structures reveal that only some OLF domains harbor an internal calcium-binding site with ligands derived from a triad of residues. For the myocilin OLF domain (myoc-OLF), ablation of the ion-binding site (triad Asp, Asn, Asp) by altering the coordinating residues affects the stability and overall structure, in one case leading to misfolding and glaucoma. Bioinformatics analysis reveals a variety of triads with possible ion-binding characteristics lurking in OLF domains in invertebrate chordates such as Arthropoda (Asp–Glu–Ser), Nematoda (Asp–Asp–His) and Echinodermata (Asp–Glu–Lys). To test ion binding and to extend the observed connection between ion binding and distal structural rearrangements, consensus triads from these phyla were installed in the myoc-OLF. All three protein variants exhibit wild-type-like or better stability, but their calcium-binding properties differ, concomitant with new structural deviations from wild-type myoc-OLF. Taken together, the results indicate that calcium binding is not intrinsically destabilizing to myoc-OLF or required to observe a well ordered side helix, and that ion binding is a differential feature that may underlie the largely elusive biological function of OLF propellers. Full Article text
rf Using Phaser and ensembles to improve the performance of SIMBAD By scripts.iucr.org Published On :: 2020-01-01 The conventional approach to search-model identification in molecular replacement (MR) is to screen a database of known structures using the target sequence. However, this strategy is not always effective, for example when the relationship between sequence and structural similarity fails or when the crystal contents are not those expected. An alternative approach is to identify suitable search models directly from the experimental data. SIMBAD is a sequence-independent MR pipeline that uses either a crystal lattice search or MR functions to directly locate suitable search models from databases. The previous version of SIMBAD used the fast AMoRe rotation-function search. Here, a new version of SIMBAD which makes use of Phaser and its likelihood scoring to improve the sensitivity of the pipeline is presented. It is shown that the additional compute time potentially required by the more sophisticated scoring is counterbalanced by the greater sensitivity, allowing more cases to trigger early-termination criteria, rather than running to completion. Using Phaser solved 17 out of 25 test cases in comparison to the ten solved with AMoRe, and it is shown that use of ensemble search models produces additional performance benefits. Full Article text
rf ID30A-3 (MASSIF-3) – a beamline for macromolecular crystallography at the ESRF with a small intense beam By scripts.iucr.org Published On :: 2020-04-29 ID30A-3 (or MASSIF-3) is a mini-focus (beam size 18 µm × 14 µm) highly intense (2.0 × 1013 photons s−1), fixed-energy (12.81 keV) beamline for macromolecular crystallography (MX) experiments at the European Synchrotron Radiation Facility (ESRF). MASSIF-3 is one of two fixed-energy beamlines sited on the first branch of the canted undulator setup on the ESRF ID30 port and is equipped with a MD2 micro-diffractometer, a Flex HCD sample changer, and an Eiger X 4M fast hybrid photon-counting detector. MASSIF-3 is recommended for collecting diffraction data from single small crystals (≤15 µm in one dimension) or for experiments using serial methods. The end-station has been in full user operation since December 2014, and here its current characteristics and capabilities are described. Full Article text
rf Development of a scanning soft X-ray spectromicroscope to investigate local electronic structures on surfaces and interfaces of advanced materials under conditions ranging from low vacuum to helium atmosphere By scripts.iucr.org Published On :: 2020-03-18 A scanning soft X-ray spectromicroscope was recently developed based mainly on the photon-in/photon-out measurement scheme for the investigation of local electronic structures on the surfaces and interfaces of advanced materials under conditions ranging from low vacuum to helium atmosphere. The apparatus was installed at the soft X-ray beamline (BL17SU) at SPring-8. The characteristic features of the apparatus are described in detail. The feasibility of this spectromicroscope was demonstrated using soft X-ray undulator radiation. Here, based on these results, element-specific two-dimensional mapping and micro-XAFS (X-ray absorption fine structure) measurements are reported, as well as the observation of magnetic domain structures from using a reference sample of permalloy micro-dot patterns fabricated on a silicon substrate, with modest spatial resolution (e.g. ∼500 nm). Then, the X-ray radiation dose for Nafion® near the fluorine K-edge is discussed as a typical example of material that is not radiation hardened against a focused X-ray beam, for near future experiments. Full Article text
rf Synchrotron X-ray diffraction investigation of the surface condition of artefacts from King Henry VIII's warship the Mary Rose By scripts.iucr.org Published On :: 2020-04-15 Synchrotron X-ray diffraction (XRD) measured on the XMaS beamline at the ESRF was used to characterize the alloy composition and crystalline surface corrosion of three copper alloy Tudor artefacts recovered from the undersea wreck of King Henry VIII's warship the Mary Rose. The XRD method adopted has a dynamic range ∼1:105 and allows reflections <0.002% of the height of major reflections in the pattern to be discerned above the background without smoothing. Laboratory XRD, scanning electron microscopy–energy dispersive spectroscopy, synchrotron X-ray fluorescence and X-ray excited optical luminescence–X-ray near-edge absorption structure were used as supporting techniques, and the combination revealed structural and compositional features of importance to both archaeology and conservation. The artefacts were brass links believed to be fragments of chainmail and were excavated from the seabed during 1981 and 1982. Their condition reflects very different treatment just after recovery, viz. complete cleaning and conservation, chemical corrosion inhibition and chloride removal only, and distilled water soaking only (to remove the chlorides). The brass composition has been determined for all three at least in the top 7 µm or so as Cu(73%)Zn(27%) from the lattice constant. Measurement of the peak widths showed significant differences in the crystallite size and microstrain between the three samples. All of the links are found to be almost chloride-free with the main corrosion products being spertiniite, sphalerite, zincite, covellite and chalcocite. The balance of corrosion products between the links reflects the conservation treatment applied to one and points to different corrosion environments for the other two. Full Article text
rf Solid/liquid-interface-dependent synthesis and immobilization of copper-based particles nucleated by X-ray-radiolysis-induced photochemical reaction By journals.iucr.org Published On :: Full Article text
rf Comprehensive characterization of TSV etching performance with phase-contrast X-ray microtomography By journals.iucr.org Published On :: A complete method of comprehensive and quantitative evaluation of through-silicon via reliability using a highly sensitive phase-contrast X-ray microtomography was established. Quantitative characterizations include 3D local morphology and overall consistency of statistics. Full Article text
rf Hard X-ray phase-contrast-enhanced micro-CT for quantifying interfaces within brittle dense root-filling-restored human teeth By journals.iucr.org Published On :: Phase-contrast enhanced micro-computed tomography reveals huge discontinuities at the interfaces between dental fillings and the tooth substrate. Despite the complex micromorphology, gaps in bonding could be visualized and quantified in 3D. Full Article text
rf High-performance Python for crystallographic computing By scripts.iucr.org Published On :: 2019-07-24 The Python programming language, combined with the numerical computing library NumPy and the scientific computing library SciPy, has become the de facto standard for scientific computing in a variety of fields. This popularity is mainly due to the ease with which a Python program can be written and executed (easy syntax, dynamical typing, no compilation etc.), coupled with the existence of a large number of specialized third-party libraries that aim to lift all the limitations of the raw Python language. NumPy introduces vector programming, improving execution speeds, whereas SciPy brings a wealth of highly optimized and reliable scientific functions. There are cases, however, where vector programming alone is not sufficient to reach optimal performance. This issue is addressed with dedicated compilers that aim to translate Python code into native and statically typed code with support for the multi-core architectures of modern processors. In the present article it is shown how these approaches can be efficiently used to tackle different problems, with increasing complexity, that are relevant to crystallography: the 2D Laue function, scattering from a strained 2D crystal, scattering from 3D nanocrystals and, finally, diffraction from films and multilayers. For each case, detailed implementations and explanations of the functioning of the algorithms are provided. Different Python compilers (namely NumExpr, Numba, Pythran and Cython) are used to improve performance and are benchmarked against state-of-the-art NumPy implementations. All examples are also provided as commented and didactic Python (Jupyter) notebooks that can be used as starting points for crystallographers curious to enter the Python ecosystem or wishing to accelerate their existing codes. Full Article text
rf DatView: a graphical user interface for visualizing and querying large data sets in serial femtosecond crystallography By scripts.iucr.org Published On :: 2019-10-31 DatView is a new graphical user interface (GUI) for plotting parameters to explore correlations, identify outliers and export subsets of data. It was designed to simplify and expedite analysis of very large unmerged serial femtosecond crystallography (SFX) data sets composed of indexing results from hundreds of thousands of microcrystal diffraction patterns. However, DatView works with any tabulated data, offering its functionality to many applications outside serial crystallography. In DatView's user-friendly GUI, selections are drawn onto plots and synchronized across all other plots, so correlations between multiple parameters in large multi-parameter data sets can be rapidly identified. It also includes an item viewer for displaying images in the current selection alongside the associated metadata. For serial crystallography data processed by indexamajig from CrystFEL [White, Kirian, Martin, Aquila, Nass, Barty & Chapman (2012). J. Appl. Cryst. 45, 335–341], DatView generates a table of parameters and metadata from stream files and, optionally, the associated HDF5 files. By combining the functionality of several commonly needed tools for SFX in a single GUI that operates on tabulated data, the time needed to load and calculate statistics from large data sets is reduced. This paper describes how DatView facilitates (i) efficient feedback during data collection by examining trends in time, sample position or any parameter, (ii) determination of optimal indexing and integration parameters via the comparison mode, (iii) identification of systematic errors in unmerged SFX data sets, and (iv) sorting and highly flexible data filtering (plot selections, Boolean filters and more), including direct export of subset CrystFEL stream files for further processing. Full Article text
rf FXD-CSD-GUI: a graphical user interface for the X-ray-diffraction-based determination of crystallite size distributions By scripts.iucr.org Published On :: 2019-10-22 Bragg intensities can be used to analyse crystal size distributions in a method called FXD-CSD, which is based on the fast measurement of many Bragg spots using two-dimensional detectors. This work presents the Python-based software and its graphical user interface FXD-CSD-GUI. The GUI enables user-friendly data handling and processing and provides both graphical and numerical crystal size distribution results. Full Article text
rf Detailed surface analysis of V-defects in GaN films on patterned silicon(111) substrates by metal–organic chemical vapour deposition. Corrigendum By scripts.iucr.org Published On :: 2020-02-01 An error in the article by Gao, Zhang, Zhu, Wu, Mo, Pan, Liu & Jiang [J. Appl. Cryst. (2019), 52, 637–642] is corrected. Full Article text
rf PtychoShelves, a versatile high-level framework for high-performance analysis of ptychographic data By scripts.iucr.org Published On :: 2020-03-13 Over the past decade, ptychography has been proven to be a robust tool for non-destructive high-resolution quantitative electron, X-ray and optical microscopy. It allows for quantitative reconstruction of the specimen's transmissivity, as well as recovery of the illuminating wavefront. Additionally, various algorithms have been developed to account for systematic errors and improved convergence. With fast ptychographic microscopes and more advanced algorithms, both the complexity of the reconstruction task and the data volume increase significantly. PtychoShelves is a software package which combines high-level modularity for easy and fast changes to the data-processing pipeline, and high-performance computing on CPUs and GPUs. Full Article text
rf Takagi–Taupin dynamical X-ray diffraction simulations of asymmetric X-ray diffraction from crystals: the effects of surface undulations By journals.iucr.org Published On :: Dynamical X-ray diffraction simulations of very asymmetric diffraction from single crystals of silicon were made to accompany an experimental rocking-curve topography study reported in a seperate paper. Effects on rocking curves were found and are reported. The development of Uragami [(1969), J. Phys. Soc. Jpn, 27, 147–154] for Takagi–Taupin simulations was followed and applied to the case of both convex and concave surface undulations. Full Article text
rf Effects of surface undulations on asymmetric X-ray diffraction: a rocking-curve topography study By journals.iucr.org Published On :: Very asymmetric crystal diffraction was obtained from a finely polished silicon crystal set to reflect in Bragg diffraction at grazing incidence for the (333) reflection. The angle of incidence to achieve Bragg diffraction was varied between 1.08° and 0.33° by changing the X-ray energy from 8.100 to 8.200 keV. Topographic images obtained as the crystal was rocked were used to identify the effects of surface undulations, and the results are compared with dynamical X-ray diffraction calculations made with the Takagi–Taupin equations specialized to a surface having convex or concave features, as reported in an accompanying paper. Full Article text
rf EDDIDAT: a graphical user interface for the analysis of energy-dispersive diffraction data By journals.iucr.org Published On :: EDDIDAT is a program that provides a graphical user interface (GUI) for the evaluation of energy-dispersive X-ray diffraction data with the focus on the depth-resolved residual stress analysis. Full Article text
rf A dry spring in Panama means more sulfur butterflies, study reveals By insider.si.edu Published On :: Fri, 02 Oct 2009 13:38:10 +0000 A new census of tropical sulfur butterflies (Aphrissa statira) migrating across the Panama Canal has revealed the central role that weather plays in determining why populations of these lemon-yellow insects vary from year to year. The post A dry spring in Panama means more sulfur butterflies, study reveals appeared first on Smithsonian Insider. Full Article Research News Science & Nature biodiversity conservation conservation biology Tropical Research Institute
rf “Death Star” Shreds, Swallows Dwarf Planet By insider.si.edu Published On :: Tue, 22 Jun 2010 11:23:55 +0000 It seems the stuff of science fiction, but astronomers have found a real-life “Death Star” that shredded a rocky planet and is swallowing the dusty remains. The post “Death Star” Shreds, Swallows Dwarf Planet appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics planets Smithsonian Astrophysical Observatory
rf Thepytus carmen, a newly described species of butterfly from Brazil By insider.si.edu Published On :: Thu, 09 Dec 2010 12:49:41 +0000 Thepytus carmen, a newly described species of butterfly from Brazil, was recently named in memory of Carmen Lúcia Buck in recognition of the gracious support […] The post Thepytus carmen, a newly described species of butterfly from Brazil appeared first on Smithsonian Insider. Full Article Animals Research News Science & Nature Spotlight conservation biology insects National Museum of Natural History new species
rf Astronomers detect bizarre superfluid in core of neutron star By insider.si.edu Published On :: Thu, 24 Feb 2011 14:50:46 +0000 NASA's Chandra X-ray Observatory has discovered the first direct evidence for a superfluid, a bizarre, friction-free state of matter, at the core of a neutron star. The post Astronomers detect bizarre superfluid in core of neutron star appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian Smithsonian Astrophysical Observatory supernova
rf Astronomers find two white-dwarf stars locked in death spiral By insider.si.edu Published On :: Thu, 14 Jul 2011 16:43:31 +0000 "I nearly fell out of my chair at the telescope when I saw one star change its speed by a staggering 750 miles per second in just a few minutes," said Smithsonian astronomer Warren Brown, lead author of the paper reporting the find. The post Astronomers find two white-dwarf stars locked in death spiral appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian Smithsonian Astrophysical Observatory supernova
rf Heliconius butterfly genome explains wing pattern diversity By insider.si.edu Published On :: Thu, 17 May 2012 01:25:58 +0000 More than 70 scientists from 9 institutions including the Smithsonian Tropical Research Institute, sequenced the entire genome of the butterfly genus Heliconius, a brightly colored favorite of collectors and scientists since the Victorian era. The post Heliconius butterfly genome explains wing pattern diversity appeared first on Smithsonian Insider. Full Article Animals Science & Nature biodiversity conservation conservation biology insects Tropical Research Institute
rf Powerful computer simulations show how spiral galaxies get their arms By insider.si.edu Published On :: Wed, 03 Apr 2013 12:25:13 +0000 Spiral galaxies are some of the most beautiful and photogenic residents of the universe. Our own Milky Way is a spiral. Our solar system and […] The post Powerful computer simulations show how spiral galaxies get their arms appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian galaxies Smithsonian Astrophysical Observatory
rf Last seen 140 years ago, deep sea worm resurfaces, delighting scientists By insider.si.edu Published On :: Tue, 20 Aug 2013 18:43:02 +0000 In 2009, during an expedition by a Russian research ship, a small length of yellow flesh about 5 centimeters long was dredged up from the […] The post Last seen 140 years ago, deep sea worm resurfaces, delighting scientists appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature biodiversity National Museum of Natural History worms
rf Coldest brown dwarfs blur lines between stars and planets By insider.si.edu Published On :: Fri, 06 Sep 2013 14:15:41 +0000 Astronomers are constantly on the hunt for ever-colder star-like bodies, and two years ago a new class of objects was discovered by researchers using NASA’s […] The post Coldest brown dwarfs blur lines between stars and planets appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian planets Smithsonian Astrophysical Observatory
rf Remarkably large and colorful new beetle discovered in French Guiana By insider.si.edu Published On :: Tue, 03 Dec 2013 17:17:02 +0000 Scientists from the Smithsonian’s National Museum of Natural History have just named and described the Spectacular Guyane False-form beetle, or Guyanemorpha spectabilis, from Guyane (French Guiana). […] The post Remarkably large and colorful new beetle discovered in French Guiana appeared first on Smithsonian Insider. Full Article Research News Science & Nature ants biodiversity conservation conservation biology insects National Museum of Natural History new species
rf Harsh space weather dooms life on red-dwarf planets By insider.si.edu Published On :: Wed, 04 Jun 2014 11:20:46 +0000 Life in the universe might be even rarer than we thought. Recently, astronomers looking for potentially habitable worlds have targeted red dwarf stars because they […] The post Harsh space weather dooms life on red-dwarf planets appeared first on Smithsonian Insider. Full Article Research News Science & Nature Space astronomy astrophysics Center for Astrophysics | Harvard & Smithsonian planets Smithsonian Astrophysical Observatory
rf Squat lobsters: colorful kings of the ocean floor By insider.si.edu Published On :: Tue, 07 Oct 2014 12:38:40 +0000 Their flavor is a unique blend of lobster and shrimp say lovers of the savory South American crustaceans called “langostinos.” Simmered with garlic, lime juice, […] The post Squat lobsters: colorful kings of the ocean floor appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature biodiversity collections conservation biology National Museum of Natural History
rf 3 new species of dwarf dragons discovered in Ecuador & Peru By insider.si.edu Published On :: Mon, 06 Apr 2015 13:09:31 +0000 Three new species of dragon-esque woodlizards have been discovered in the Andean cloud forests of Peru and Ecuador. The new species differ from their closest […] The post 3 new species of dwarf dragons discovered in Ecuador & Peru appeared first on Smithsonian Insider. Full Article Animals Research News Science & Nature conservation biology National Museum of Natural History new species reptiles South America
rf Old bombs, chemical weapons now home for deep-sea starfish By insider.si.edu Published On :: Fri, 31 Jul 2015 14:34:10 +0000 Surplus mustard gas canisters and unexploded bombs dumped in the Pacific Ocean near Hawaii after WWII, have become, scientists say, a potential reef that is […] The post Old bombs, chemical weapons now home for deep-sea starfish appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature conservation biology technology
rf Colorful Caterpillar Chemists By insider.si.edu Published On :: Thu, 08 Oct 2015 13:01:11 +0000 Scientists at the Smithsonian Tropical Research Institute (STRI) in Panama compared the diets of two caterpillar species, expecting the one that exclusively consumed plants containing […] The post Colorful Caterpillar Chemists appeared first on Smithsonian Insider. Full Article Research News Science & Nature Spotlight chromatics conservation biology insects Tropical Research Institute
rf Remarkable butterfly look-alike lived 50 million years before butterflies appeared By insider.si.edu Published On :: Wed, 03 Feb 2016 18:13:26 +0000 New fossils found in Northeastern China have revealed a remarkable evolutionary coincidence: an extinct group of insects known as Kalligrammatid lacewings (Order Neuroptera) share an […] The post Remarkable butterfly look-alike lived 50 million years before butterflies appeared appeared first on Smithsonian Insider. Full Article Animals Dinosaurs & Fossils Research News Science & Nature climate change insects National Museum of Natural History prehistoric
rf Structure of P46, an immunodominant surface protein from Mycoplasma hyopneumoniae: interaction with a monoclonal antibody By scripts.iucr.org Published On :: 2020-04-15 Mycoplasma hyopneumoniae is a prokaryotic pathogen that colonizes the respiratory ciliated epithelial cells in swine. Infected animals suffer respiratory lesions, causing major economic losses in the porcine industry. Characterization of the immunodominant membrane-associated proteins from M. hyopneumoniae may be instrumental in the development of new therapeutic approaches. Here, the crystal structure of P46, one of the main surface-antigen proteins, from M. hyopneumoniae is presented and shows N- and C-terminal α/β domains connected by a hinge. The structures solved in this work include a ligand-free open form of P46 (3.1 Å resolution) and two ligand-bound structures of P46 with maltose (2.5 Å resolution) and xylose (3.5 Å resolution) in open and closed conformations, respectively. The ligand-binding site is buried in the cleft between the domains at the hinge region. The two domains of P46 can rotate with respect to each other, giving open or closed alternative conformations. In agreement with this structural information, sequence analyses show similarities to substrate-binding members of the ABC transporter superfamily, with P46 facing the extracellular side as a functional subunit. In the structure with xylose, P46 was also bound to a high-affinity (Kd = 29 nM) Fab fragment from a monoclonal antibody, allowing the characterization of a structural epitope in P46 that exclusively involves residues from the C-terminal domain. The Fab structure in the complex with P46 shows only small conformational rearrangements in the six complementarity-determining regions (CDRs) with respect to the unbound Fab (the structure of which is also determined in this work at 1.95 Å resolution). The structural information that is now available should contribute to a better understanding of sugar nutrient intake by M. hyopneumoniae. This information will also allow the design of protocols and strategies for the generation of new vaccines against this important swine pathogen. Full Article text
rf LDL uptake-dependent phosphatidylethanolamine translocation to the cell surface promotes fusion of osteoclast-like cells [RESEARCH ARTICLE] By jcs.biologists.org Published On :: 2020-04-15T01:46:56-07:00 Victor J. F. Kitano, Yoko Ohyama, Chiyomi Hayashida, Junta Ito, Mari Okayasu, Takuya Sato, Toru Ogasawara, Maki Tsujita, Akemi Kakino, Jun Shimada, Tatsuya Sawamura, and Yoshiyuki HakedaOsteoporosis is associated with vessel diseases attributed to hyperlipidemia, and bone resorption by multinucleated osteoclasts is related to lipid metabolism. In this study, we generated low-density lipoprotein receptor (LDLR)/lectin-like oxidized LDL receptor-1 (LOX-1) double knockout (dKO) mice. We found that, like LDLR single KO (sKO), LDLR/LOX-1 dKO impaired cell-cell fusion of osteoclast-like cells (OCLs). LDLR/LOX-1 dKO and LDLR sKO preosteoclasts exhibited decreased uptake of LDL. The cell surface cholesterol levels of both LDLR/LOX-1 dKO and LDLR sKO osteoclasts were lower than the levels of wild-type OCLs. Additionally, the amount of phosphatidylethanolamine (PE) on the cell surface was attenuated in LDLR/LOX-1 dKO and LDLR sKO pre-OCLs, while the PE distribution in wild-type OCLs was concentrated on the filopodia in contact with neighboring cells. Abrogation of the ATP binding cassette G1 (ABCG1) transporter, which transfers PE to the cell surface, caused decreased PE translocation to the cell surface and subsequent cell-cell fusion. The findings of this study indicate the involvement of a novel cascade (LDLR~ABCG1~PE translocation to cell surface~cell-cell fusion) in multinucleation of OCLs. Full Article
rf A hot new island has just surfaced in the Red Sea. What’s going on? Smithsonian scientists explain. By insider.si.edu Published On :: Wed, 11 Jan 2012 16:45:25 +0000 The new island visible in the satellite photograph is the top of a giant shield volcano located on the rift axis in the Red Sea where the continental plates of Africa and Arabia are pulling apart. The post A hot new island has just surfaced in the Red Sea. What’s going on? Smithsonian scientists explain. appeared first on Smithsonian Insider. Full Article Earth Science Marine Science Science & Nature National Museum of Natural History
rf Butterfly Brooch Enters National Gem Collection By insider.si.edu Published On :: Wed, 27 Feb 2013 19:54:29 +0000 The National Museum of Natural History’s gem collection has a new addition: the Cindy Chao Black Label Masterpiece Royal Butterfly Brooch. Created by Chao in […] The post Butterfly Brooch Enters National Gem Collection appeared first on Smithsonian Insider. Full Article Earth Science Science & Nature Spotlight National Gem Collection new acquisitions
rf X-ray interference fringes from a weakly bent plane-parallel crystal with negative strain gradient By scripts.iucr.org Published On :: 2019-10-07 Under the anomalous transmission condition in the Bragg mode, X-ray interference fringes were observed between two beams with different hyperbolic trajectories in a very weakly bent plane-parallel perfect crystal with negative strain gradient. The origin of the fringes was analysed based on the dynamical theory of diffraction for a distorted crystal. In the reflected beam from the entrance surface, the interference fringes were observed between once- and twice-reflected beams from the back surface. In the transmitted beam from the back surface, the interference fringes were observed between the direct beam and once-reflected beam from the entrance surface. In the emitted beam from the lateral surface, the interference fringes were observed between the beams after different numbers of reflections in the crystal. The multiply reflected beams were formed by a combined result of long propagation length along the beam direction with large divergence of the refracted beams when the strain gradient was negative. The period of these interference fringes was sensitive to very weak strain, of the order of 10−7. Full Article text
rf Basic tutorial of "Performance Monitor" By www.bleepingcomputer.com Published On :: 2013-09-23T12:21:06-05:00 Full Article
rf Why are male peacock feathers more colorful By insider.si.edu Published On :: Wed, 05 Nov 2014 14:16:42 +0000 Ever wonder why only male peacocks have such extravagant plumage? We ask caretaker Gwendolyn Cooper at Smithsonian’s National Zoo to explain. The post Why are male peacock feathers more colorful appeared first on Smithsonian Insider. Full Article Animals Science & Nature Video chromatics conservation biology