id Rigid yet flexible: Anatomy of woody vines has its grip on botanist Marcelo Pace By insider.si.edu Published On :: Fri, 07 Apr 2017 12:29:14 +0000 What might lure someone away from the sunny beaches and lush forests of Brazil to the concrete jungle of Washington, D.C.? For wood anatomist Marcelo […] The post Rigid yet flexible: Anatomy of woody vines has its grip on botanist Marcelo Pace appeared first on Smithsonian Insider. Full Article Earth Science Plants Science & Nature National Museum of Natural History
id The Argument for Environmental Optimism: Opinion by Smithsonian Secretary David J. Skorton By insider.si.edu Published On :: Fri, 21 Apr 2017 20:32:04 +0000 Is it foolish to be optimistic about our environment and its future prospects? Every day, we hear dire warnings about the health of the planet […] The post The Argument for Environmental Optimism: Opinion by Smithsonian Secretary David J. Skorton appeared first on Smithsonian Insider. Full Article Animals Earth Science Marine Science Plants Research News Science & Nature National Museum of Natural History Smithsonian Conservation Biology Institute Smithsonian Environmental Research Center Smithsonian Tropical Research Institute Smithsonian's National Zoo
id Remarkable new tree species was “hidden in plain sight” in the Andes By insider.si.edu Published On :: Wed, 13 Sep 2017 17:04:47 +0000 Hidden in plain sight–that’s how researchers describe their discovery of a new genus of large forest tree commonly found, yet previously scientifically unknown, in the […] The post Remarkable new tree species was “hidden in plain sight” in the Andes appeared first on Smithsonian Insider. Full Article Plants Research News Science & Nature National Museum of Natural History new species
id Smithsonian Digitization: Orchid Collection By insider.si.edu Published On :: Thu, 31 May 2018 12:22:16 +0000 Mass Digitization of the living orchid collection maintained by Smithsonian Gardens. The post Smithsonian Digitization: Orchid Collection appeared first on Smithsonian Insider. Full Article Plants Science & Nature Video Smithsonian Gardens
id Behind the scenes in the restaurant kitchen that feeds the National Zoo’s residents By insider.si.edu Published On :: Tue, 12 Jun 2018 11:40:02 +0000 “One cannot think well, love well, sleep well if one has not dined well,” Virginia Woolf once said. Woolf’s sentiment is one that the staff […] The post Behind the scenes in the restaurant kitchen that feeds the National Zoo’s residents appeared first on Smithsonian Insider. Full Article Animals Plants Science & Nature Smithsonian's National Zoo
id Sneak Peek: David H. Koch Hall of Fossils By insider.si.edu Published On :: Tue, 17 Jul 2018 17:34:39 +0000 Life and the Earth have always evolved together. When it opens on June 8, 2019, the David H. Koch Hall of Fossils — Deep Time […] The post Sneak Peek: David H. Koch Hall of Fossils appeared first on Smithsonian Insider. Full Article Animals Dinosaurs & Fossils Earth Science History & Culture Marine Science Plants Science & Nature Video National Museum of Natural History
id See thousands of orchids in incredible detail in the Smithsonian’s newly digitized collection By insider.si.edu Published On :: Thu, 02 Aug 2018 20:16:08 +0000 No green thumb? You don’t need to water these dazzling orchids to enjoy them. More than 8,000 living specimens in the Smithsonian Gardens Orchid Collection […] The post See thousands of orchids in incredible detail in the Smithsonian’s newly digitized collection appeared first on Smithsonian Insider. Full Article Plants Research News Science & Nature Smithsonian Gardens
id The missing crystal structure in the series of N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative By journals.iucr.org Published On :: In the first reported crystal structure involving the potential ligand N,N',N''-tris(2-pyridinyl)-1,3,5-benzenetricarboxamide, intermolecular N—H⋯O hydrogen bonds link the molecules via their amide groups into slanted ladder-like chains. Only two of the three amide groups in the molecule are involved in hydrogen bonding, which influences the degree of out-of-plane twisting at each amide group. Full Article text
id Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V) By journals.iucr.org Published On :: In the structure of the title salt, second-order Jahn–Teller distortion of the coordination octahedra around V ions is reflected by coexistence of short V—O bonds and trans-positioned long V—F bonds, with four equatorial V—F distances being intermediate in magnitude. Hydrogen bonding of the anions is restricted to F-atom acceptors only, with particularly strong N–H⋯F interactions [N⋯F = 2.5072 (15) Å] established by axial and cis-positioned equatorial F atoms. Full Article text
id Synthesis and crystal structure of (1,10-phenanthroline-κ2N,N')[2-(1H-pyrazol-1-yl)phenyl-κ2N2,C1]iridium(III) hexafluoridophosphate with an unknown number of solvent molecules By journals.iucr.org Published On :: The cationic cyclometallated iridium(III) complex [Ir(C9H7N2)2(C12H8N2)](PF6) has been synthesized and crystallized by the inter-diffusion method. It contains an unknown number of solvent molecules and has a different space-group symmetry (C2/c) structure than its solvatomorph (P21/c). Full Article text
id Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine By journals.iucr.org Published On :: The new copper(II) complex [CuLCl2]2, where L is a product of Schiff base condensation between methylamine and 2-pyridinecarbaldehyde, is built of discrete centrosymmetric dimers. Full Article text
id Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1H-perimidin-2-yl)phenol By journals.iucr.org Published On :: The asymmetric unit of the title compound contains two independent molecules, consisting of perimidine and phenol units, which are linked through an N—H⋯O hydrogen bond. Intramolecular O—H⋯N hydrogen bonds are observed in both independent molecules. Full Article text
id The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine By journals.iucr.org Published On :: The title compound, 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine, was synthesized as a side-product during the synthesis of the intermediate, methyl 3,6-dimethoxy-2-(2-methoxy-2-oxoethyl)benzoate, necessary for the total synthesis of the isocoumarin 5,8-dimethoxy-3-methyl-1H-isochromen-1-one. Full Article text
id System Composer - MATLAB might crash when System Composer functions have invalid or missing stereotypes as input By in.mathworks.com Published On :: Fri, 08 May 2020 13:32:04 +0000 When creating a System Composer architecture model, if the following functions are called with an invalid or missing stereotype, it can cause the model to get corrupted and might lead to a MATLAB crash:addComponentaddPortconnectWhen the corrupted model is saved or loaded and edited, the Simulink Diagnostic Viewer might display an error that indicates the System Composer model is inconsistent, and then result in a MATLAB crash.This bug exists in the following release(s): R2020a, R2019b, R2019a Interested in Upgrading? Full Article
id (Outlook 365) Exporting IMAP Outlook Contact on Android Device By www.bleepingcomputer.com Published On :: 2020-05-01T11:52:15-05:00 Full Article
id Weird issue with bandwidth By www.bleepingcomputer.com Published On :: 2020-05-01T17:54:40-05:00 Full Article
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id Who's Who in Payments 2020 – Complete Overview of Key Payment Providers By feedproxy.google.com Published On :: Mon, 16 Mar 2020 14:47:00 +0100 Who’s Who in Payments – Complete Overview of Key Payment Providers encompasses key trends in the payments industry. Full Article
id Synthesis and crystal structure of (1,10-phenanthroline-κ2N,N')[2-(1H-pyrazol-1-yl)phenyl-κ2N2,C1]iridium(III) hexafluoridophosphate with an unknown number of solvent molecules By scripts.iucr.org Published On :: 2020-05-05 The cationic complex in the title compound, [Ir(C9H7N2)2(C12H8N2)]PF6, comprises two phenylpyrazole (ppz) cyclometallating ligands and one 1,10-phenanthroline (phen) ancillary ligand. The asymmetric unit consists of one [Ir(ppz)2(phen)]+ cation and one [PF6]− counter-ion. The central IrIII ion is six-coordinated by two N atoms and two C atoms from the two ppz ligands as well as by two N atoms from the phen ligand within a distorted octahedral C2N4 coordination set. In the crystal structure, the [Ir(ppz)2(phen)]+ cations and PF6− counter-ions are connected with each other through weak intermolecular C—H...F hydrogen bonds. Additional C—H...π interactions between the rings of neighbouring cations consolidate the three-dimensional network. Electron density associated with additional disordered solvent molecules inside cavities of the structure was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s). The title compound has a different space-group symmetry (C2/c) from its solvatomorph (P21/c) comprising 1.5CH2Cl2 solvent molecules per ion pair. Full Article text
id Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1H-perimidin-2-yl)phenol By scripts.iucr.org Published On :: 2020-05-05 The asymmetric unit of the title compound, C17H14N2O, contains two independent molecules each consisting of perimidine and phenol units. The tricyclic perimidine units contain naphthalene ring systems and non-planar C4N2 rings adopting envelope conformations with the C atoms of the NCN groups hinged by 44.11 (7) and 48.50 (6)° with respect to the best planes of the other five atoms. Intramolecular O—H...N hydrogen bonds may help to consolidate the molecular conformations. The two independent molecules are linked through an N—H...O hydrogen bond. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (52.9%) and H...C/C...H (39.5%) interactions. Hydrogen bonding and van der Waals interactions are the dominant interactions in the crystal packing. Density functional theory (DFT) optimized structures at the B3LYP/ 6–311 G(d,p) level are compared with the experimentally determined molecular structure in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap. Full Article text
id The crystal structure and Hirshfeld surface analysis of 1-(2,5-dimethoxyphenyl)-2,2,6,6-tetramethylpiperidine By scripts.iucr.org Published On :: 2020-05-05 In the title compound, C17H27NO2, the piperidine ring has a chair conformation and is positioned normal to the benzene ring. In the crystal, molecules are linked by C—H...O hydrogen bonds, forming chains propagating along the c-axis direction. Full Article text
id Crystal structure and characterization of a new copper(II) chloride dimer with methyl(pyridin-2-ylmethylidene)amine By scripts.iucr.org Published On :: 2020-05-05 The new copper(II) complex, namely, di-μ-chlorido-bis{chlorido[methyl(pyridin-2-ylmethylidene)amine-κ2N,N']copper(II)}, [Cu2Cl4(C7H8N2)2], (I), with the ligand 2-pyridylmethyl-N-methylimine (L, a product of Schiff base condensation between methylamine and 2-pyridinecarbaldehyde) is built of discrete centrosymmetric dimers. The coordination about the CuII ion can be described as distorted square pyramidal. The base of the pyramid consists of two nitrogen atoms from the bidentate chelate L [Cu—N = 2.0241 (9), 2.0374 (8) Å] and two chlorine atoms [Cu—Cl = 2.2500 (3), 2.2835 (3) Å]. The apical position is occupied by another Cl atom with the apical bond being significantly elongated at 2.6112 (3) Å. The trans angles of the base are 155.16 (3) and 173.79 (2)°. The Cu...Cu separation in the dimer is 3.4346 (3) Å. In the crystal structure, the loosely packed dimers are arranged in stacks propagating along the a axis. The X-band polycrystalline 77 K EPR spectrum of (I) demonstrates a typical axial pattern characteristic of mononuclear CuII complexes. Compound (I) is redox active and shows a cyclic voltammetric response with E1/2 = −0.037 V versus silver–silver chloride electrode (SSCE) assignable to the reduction peak of CuII/CuI in methanol as solvent. Full Article text
id Crystal structure and Hirshfeld surface analysis of 4,4'-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V) By scripts.iucr.org Published On :: 2020-05-01 In the structure of the title salt, (C7H12N6)[VOF5], second-order Jahn–Teller distortion of the coordination octahedra around V ions is reflected by coexistence of short V—O bonds [1.5767 (12) Å] and trans-positioned long V—F bonds [2.0981 (9) Å], with four equatorial V—F distances being intermediate in magnitude [1.7977 (9)–1.8913 (9) Å]. Hydrogen bonding of the anions is restricted to F-atom acceptors only, with particularly strong N–H...F interactions [N...F = 2.5072 (15) Å] established by axial and cis-positioned equatorial F atoms. Hirshfeld surface analysis indicates that the most important interactions are overwhelmingly H...F/F...H, accounting for 74.4 and 36.8% of the contacts for the individual anions and cations, respectively. Weak CH...F and CH...N bonds are essential for generation of three-dimensional structure. Full Article text
id The missing crystal structure in the series of N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamides: the 2-pyridinyl derivative By scripts.iucr.org Published On :: 2020-05-01 In the first reported crystal structure involving the potential ligand N,N',N''-tris(pyridin-2-yl)benzene-1,3,5-tricarboxamide, C24H18N6O3, intermolecular N—H...O hydrogen bonds link the molecules via their amide groups into slanted ladder-like chains, in which the uprights of the ladder are formed by the hydrogen-bonding interactions and the benzene ring cores of the molecules act as the rungs of the ladder. Only two of the three amide groups in the molecule are involved in hydrogen bonding and this influences the degree of out-of-plane twisting at each amide group, with the twist being more significant for those amide groups participating in hydrogen bonds. Full Article text
id Upgrading video card By www.bleepingcomputer.com Published On :: 2020-04-30T19:59:02-05:00 Full Article
id Doubt about Upgrading a lenovo ideacentre 300-20ish and GPU and CPU temeperature By www.bleepingcomputer.com Published On :: 2020-05-01T07:05:39-05:00 Full Article
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id Suggestions upgrading RAM, video and sound for HP Pavilion 500-023w Win 8.1? By www.bleepingcomputer.com Published On :: 2020-05-06T09:12:44-05:00 Full Article
id Video conferencing on 24" iMac By www.bleepingcomputer.com Published On :: 2020-03-31T12:46:26-05:00 Full Article
id Three new acid M+ arsenates and phosphates with multiply protonated As/PO4 groups By scripts.iucr.org Published On :: 2019-07-25 The crystal structures of caesium dihydrogen arsenate(V) bis[trihydrogen arsenate(V)], Cs(H2AsO4)(H3AsO4)2, ammonium dihydrogen arsenate(V) trihydrogen arsenate(V), NH4(H2AsO4)(H3AsO4), and dilithium bis(dihydrogen phosphate), Li2(H2PO4)2, were solved from single-crystal X-ray diffraction data. NH4(H2AsO4)(H3AsO4), which was hydrothermally synthesized (T = 493 K), is homeotypic with Rb(H2AsO4)(H3AsO4), while Cs(H2AsO4)(H3AsO4)2 crystallizes in a novel structure type and Li2(H2PO4)2 represents a new polymorph of this composition. The Cs and Li compounds grew at room temperature from highly acidic aqueous solutions. Li2(H2PO4)2 forms a three-dimensional (3D) framework of PO4 tetrahedra sharing corners with Li2O6 dimers built of edge-sharing LiO4 groups, which is reinforced by hydrogen bonds. The two arsenate compounds are characterized by a 3D network of AsO4 groups that are connected solely via multiple strong hydrogen bonds. A statistical evaluation of the As—O bond lengths in singly, doubly and triply protonated AsO4 groups gave average values of 1.70 (2) Å for 199 As—OH bonds, 1.728 (19) Å for As—OH bonds in HAsO4 groups, 1.714 (12) Å for As—OH bonds in H2AsO4 groups and 1.694 (16) Å for As—OH bonds in H3AsO4 groups, and a grand mean value of 1.667 (18) Å for As—O bonds to nonprotonated O atoms. Full Article text
id Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering By scripts.iucr.org Published On :: 2019-10-04 The enantiopure monopyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, C13H18N2O4, (1), represents a potential ligand and an attractive intermediate for the synthesis of chiral metal complexes. At the molecular level, the compound features an intramolecular N—H⋯O hydrogen bond; neighbouring molecules interact via N—H⋯N contacts to form chains along [100]. Due to its elemental composition, resonant scattering of the target compound is entirely insignificant for diffraction experiments with Mo Kα and small even for Cu Kα radiation. A preliminary study with the harder radiation type confirmed the chiral space group and the suitability of the single crystal chosen; as expected, the results concerning the absolute structure remained completely inconclusive. A second data collection with the longer wavelength gave satisfactory quality indicators for the correct handedness of the molecule, albeit with high standard uncertainties. The absolute configuration has been assessed independently: CD spectra for both enantiomers of the target molecule were calculated and the spectrum for the S-configured stereoisomer was in agreement with the experiment. The Cotton effect of (1) may be ascribed to π–π* transitions from HOMO to LUMO and from HOMO to LUMO+1. As both independent techniques agree with respect to the handedness of the target molecule, the absolute structure may be assigned with a high degree of confidence. Full Article text
id There's many a good tune played on an old fiddle – a new colour for Alfred Werner's isomer counting By scripts.iucr.org Published On :: 2020-03-11 Full Article text
id Synthesis of N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to N-substituted (E)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of By scripts.iucr.org Published On :: 2020-04-20 An operationally simple and time-efficient approach has been developed for the synthesis of racemic N-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones by a piperidine-catalysed aldol reaction between aryl methyl ketones and N-alkylisatins. These aldol products were used successfully as strategic intermediates for the preparation of N-substituted (E)-3-(2-hetaryl-2-oxoethylidene)indolin-2-ones by a stereoselective dehydration reaction under acidic conditions. The products have all been fully characterized by 1H and 13C NMR spectroscopy, by mass spectrometry and, for a representative selection, by crystal structure analysis. In each of (RS)-1-benzyl-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]indolin-2-one, C24H21NO4, (Ic), and (RS)-1-benzyl-3-{2-[4-(dimethylamino)phenyl]-2-oxoethyl}-3-hydroxyindolin-2-one, C25H24N2O3, (Id), inversion-related pairs of molecules are linked by O—H⋯O hydrogen bonds to form R22(10) rings, which are further linked into chains of rings by a combination of C—H⋯O and C—H⋯π(arene) hydrogen bonds in (Ic) and by C—H⋯π(arene) hydrogen bonds in (Id). The molecules of (RS)-1-benzyl-3-hydroxy-3-[2-oxo-2-(pyridin-4-yl)ethyl]indolin-2-one, C22H18N2O3, (Ie), are linked into a three-dimensional framework structure by a combination of O—H⋯N, C—H⋯O and C—H⋯π(arene) hydrogen bonds. (RS)-3-[2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl]-1-benzyl-3-hydroxyindolin-2-one, C24H19NO5, (If), crystallizes with Z' = 2 in the space group Poverline{1} and the molecules are linked into complex sheets by a combination of O—H⋯O, C—H⋯O and C—H⋯π(arene) hydrogen bonds. In each of (E)-1-benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one, C23H16FNO2, (IIa), and (E)-1-benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one, C21H15NO2S, (IIg), the molecules are linked into simple chains by a single C—H⋯O hydrogen bond, while those of (E)-1-benzyl-3-[2-oxo-2-(pyridin-4-yl)ethylidene]indolin-2-one, C22H16N2O2, (IIe), are linked by three C—H⋯O hydrogen bonds to form sheets which are further linked into a three-dimensional structure by C—H⋯π(arene) hydrogen bonds. There are no hydrogen bonds in the structures of either (E)-1-benzyl-3-[2-(4-methoxyphenyl)-2-oxoethylidene]indolin-2-one, C24H19NO3, (IIc), or (E)-1-benzyl-5-chloro-3-[2-(4-chlorophenyl)-2-oxoethylidene]indolin-2-one, C23H15Cl2NO2, (IIh), but the molecules of (IIh) are linked into chains of π-stacked dimers by a combination of C—Cl⋯π(arene) and aromatic π–π stacking interactions. Full Article text
id 7-Iodo-5-aza-7-deazaguanine ribonucleoside: crystal structure, physical properties, base-pair stability and functionalization By scripts.iucr.org Published On :: 2020-04-29 The positional change of nitrogen-7 of the RNA constituent guanosine to the bridgehead position-5 leads to the base-modified nucleoside 5-aza-7-deazaguanosine. Contrary to guanosine, this molecule cannot form Hoogsteen base pairs and the Watson–Crick proton donor site N3—H becomes a proton-acceptor site. This causes changes in nucleobase recognition in nucleic acids and has been used to construct stable `all-purine' DNA and DNA with silver-mediated base pairs. The present work reports the single-crystal X-ray structure of 7-iodo-5-aza-7-deazaguanosine, C10H12IN5O5 (1). The iodinated nucleoside shows an anti conformation at the glycosylic bond and an N conformation (O4'-endo) for the ribose moiety, with an antiperiplanar orientation of the 5'-hydroxy group. Crystal packing is controlled by interactions between nucleobase and sugar moieties. The 7-iodo substituent forms a contact to oxygen-2' of the ribose moiety. Self-pairing of the nucleobases does not take place. A Hirshfeld surface analysis of 1 highlights the contacts of the nucleobase and sugar moiety (O—H⋯O and N—H⋯O). The concept of pK-value differences to evaluate base-pair stability was applied to purine–purine base pairing and stable base pairs were predicted for the construction of `all-purine' RNA. Furthermore, the 7-iodo substituent of 1 was functionalized with benzofuran to detect motional constraints by fluorescence spectroscopy. Full Article text
id LaTe1.82(1): modulated crystal structure and chemical bonding of a chalcogen-deficient rare earth metal polytelluride By scripts.iucr.org Published On :: 2020-05-06 Crystals of the rare earth metal polytelluride LaTe1.82(1), namely, lanthanum telluride (1/1.8), have been grown by molten alkali halide flux reactions and vapour-assisted crystallization with iodine. The two-dimensionally incommensurately modulated crystal structure has been investigated by X-ray diffraction experiments. In contrast to the tetragonal average structure with unit-cell dimensions of a = 4.4996 (5) and c = 9.179 (1) Å at 296 (1) K, which was solved and refined in the space group P4/nmm (No. 129), the satellite reflections are not compatible with a tetragonal symmetry but enforce a symmetry reduction. Possible space groups have been derived by group–subgroup relationships and by consideration of previous reports on similar rare earth metal polychalcogenide structures. Two structural models in the orthorhombic superspace group, i.e. Pmmn(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 59.2.51.39) and Pm21n(α,β,1 over 2)000(−α,β,1 over 2)000 (No. 31.2.51.35), with modulation wave vectors q1 = αa* + βb* + 1 over 2c* and q2 = −αa* + βb* + 1 over 2c* [α = 0.272 (1) and β = 0.314 (1)], have been established and evaluated against each other. The modulation describes the distribution of defects in the planar [Te] layer, coupled to a displacive modulation due to the formation of different Te anions. The bonding situation in the planar [Te] layer and the different Te anion species have been investigated by density functional theory (DFT) methods and an electron localizability indicator (ELI-D)-based bonding analysis on three different approximants. The temperature-dependent electrical resistance revealed a semiconducting behaviour with an estimated band gap of 0.17 eV. Full Article text
id Polymorphism and phase transformation in the dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene By scripts.iucr.org Published On :: 2020-04-30 A new polymorph (form II) is reported for the 1:1 dimethyl sulfoxide solvate of 2,3,5,6-tetrafluoro-1,4-diiodobenzene (TFDIB·DMSO or C6F4I2·C2H6SO). The structure is similar to that of a previously reported polymorph (form I) [Britton (2003). Acta Cryst. E59, o1332–o1333], containing layers of TFDIB molecules with DMSO molecules between, accepting I⋯O halogen bonds from two TFDIB molecules. Re-examination of form I over the temperature range 300–120 K shows that it undergoes a phase transformation around 220 K, where the DMSO molecules undergo re-orientation and become ordered. The unit cell expands by ca 0.5 Å along the c axis and contracts by ca 1.0 Å along the a axis, and the space-group symmetry is reduced from Pnma to P212121. Refinement of form I against data collected at 220 K captures the (average) structure of the crystal prior to the phase transformation, with the DMSO molecules showing four distinct disorder components, corresponding to an overlay of the 297 and 120 K structures. Assessment of the intermolecular interaction energies using the PIXEL method indicates that the various orientations of the DMSO molecules have very similar total interaction energies with the molecules of the TFDIB framework. The phase transformation is driven by interactions between DMSO molecules, whereby re-orientation at lower temperature yields significantly closer and more stabilizing interactions between neighbouring DMSO molecules, which lock in an ordered arrangement along the shortened a axis. Full Article text
id Spider-Man returns to Marvel: A short history of the webslinger on film By feeds.scpr.org Published On :: Tue, 10 Feb 2015 13:32:17 -0800 An image from a teaser for Marvel Comics' 2015 "Civil War," part of crossover "Secret Wars." Could Spidey appear in the new Captain America: Civil War film now that Marvel and Sony have worked out a deal?; Credit: Marvel Mike RoeSpider-Man is coming home to join the rest of the Marvel movie family (um, except for the Fantastic Four and the X-Men) in upcoming films under a new deal struck between Sony, the home for Spider-Man movies, and Disney's Marvel Studios, home of Iron Man and the Avengers It's been a bumpy road for Spidey for almost a decade, but now he's set to be part of the largely critically and financially successful Marvel Cinematic Universe films. He's already made history, and he could make more history soon. Here's a brief history of cinematic Spider-Man, looking ahead to his new adventures with Marvel's large and growing stable of movie superheroes. Coming out of the superhero dark ages Spider-Man was one of the catalysts for the current superhero movie boom. Superhero films were seen as potentially dead following the bomb of "Batman & Robin" with George Clooney, a critical failure and a mixed bag commercially. Marvel dipped its toes in superhero movies with 1998's "Blade," which was a big hit, followed by 2000's "X-Men," but they both tried to distance themselves from their comic book source material (and the Joel Schumacher Batman movies) by putting their heroes in black leather and grounding them as much as possible in real-life aesthetics. Sony's first "Spider-Man" movie came out in 2002 and showed that there was still room for an optimistic comic book take. The Sam Raimi-directed film also had a huge cultural impact as one of the first big summer movies following 9/11 — an early teaser that showed Spidey trapping bad guys between the two towers had to be pulled following the disaster. Spider-Man 9/11 trailer The movie ended up pulling in almost $822 million at the box office, including almost $404 million domestically, helmed by genre director Raimi, who had previously been best known for the horror-comedy "Evil Dead" films. Spider-Man trailer Tobey Maguire surprised as the star, pulling off the nerdy, earnest Peter Parker while also being believable enough as an action star in the Spider-Man suit. Maguire starred alongside Kirsten Dunst as love interest Mary Jane and Willem Dafoe as the villainous Green Goblin, and the film included the not-yet-a-superstar James Franco as Harry Osborn and now-Oscar-nominated J.K. Simmons as Daily Bugle publisher J. Jonah Jameson. A sequel, 2004's "Spider-Man 2," continued the success of the first, with only a slight dip in overall box office while proving that the first film's success wasn't just a flash in the pan, that there was room for a relatively bright superhero in a dark time. Spider-Man 2 trailer Maguire almost ducked out of filming during negotiations, complaining of back pains following injuries while filming "Seabiscuit," and Jake Gyllenhaal almost stepped into the role — but Maguire recovered and held onto his spot. The escapist entertainment of superhero movies was starting to take hold in a growing way, but the superhero train was about to come off the rails for a few years. The twilight of Tobey Maguire As "Spider-Man 2" was hitting theaters, 2004 also brought "The Punisher," "Blade: Trinity" and "Catwoman," none of which showed superheroes as particularly promising movie saviors. Marvel turned out more superhero movies that weren't loved by critics, including "Elektra," "Fantastic Four" and "X-Men: The Last Stand," though the latter two still did well at the box office (all were released by 20th Century Fox). DC Comics made the critical and commercial hit "Batman Begins" in 2005, but stumbled in 2006 with the underperforming "Superman Returns." In 2007, "Spider-Man 3" dropped, and while it did great at the box office — it was the series' most popular film worldwide, though it dipped domestically — it was slammed by fans and critics. They took that Spider-Man optimism and tried making him emo, while overstuffing the bad guys — going from one villain in the previous films and upping it to three — and turning the campy dialogue up to 11. Spider-Man 3 trailer Trying to be 'Amazing' in a new superhero era While Spidey stumbled, the next year Marvel released its first film from its own studio, the groundbreaking "Iron Man." It showed that you could make a franchise from a hero who was big in the comics but didn't have the same mainstream recognition. It revitalized Robert Downey Jr.'s career and put Marvel Studios on the map, with a post-credits sequence laying the seeds for completely tying the films together in a way that hadn't been done on this scale ever before. While Marvel started to crank up their self-produced film, Spider-Man lay dormant. Eventually, it was decided to reboot the character with Andrew Garfield taking over the role in 2012's "The Amazing Spider-Man." It scored the lowest domestic take of the series, while still excelling overseas. Amazing Spider-Man 2 trailer 1 Sony quickly followed up with a sequel, while announcing their own plans to ape Marvel and try to create their own cinematic universe. Amazing Spider-Man 2 villains trailer The second "Amazing Spider-Man" movie set up other potential villains, and holding off the payoff of what exactly happened to Peter Parker's parents as Marvel tried to stretch Spider-Man into a female-led film, one focused on the villains, a movie led by Spidey character Venom and more. Amazing Spider-Man first 10 minutes The sequel showed diminishing returns, though, and plans for further sequels and spinoffs began to seem up in the air. Hacked In the midst of the Sony hack, documents revealed that Sony and Marvel had been negotiating over Marvel using Spider-Man in its own films — despite Sony having the rights to the character in perpetuity as long as they kept producing films, a deal worked out before Marvel had the resources and the belief in their own filmmaking capabilities. Still, the documents also showed that the talks had fallen apart, and hopes for Spider-Man appearing with Iron Man, Captain America, Thor and the rest of his Marvel friends appeared dim. Then, Monday, Marvel shocked everyone by announcing that Spider-Man was coming home and would be part of the Marvel Cinematic Universe after all. There had been reports that they'd wanted Spider-Man for the third Captain America film, and with that film set for 2016, that may still happen. They also pushed back four of their "Phase Three" movies to make room in 2017 for a new "Spider-Man" movie, with reports indicating that the movie will feature a new actor taking over and Andrew Garfield getting pushed aside. Spider-Man comes home Andrew Garfield will likely go down in comics movie history as the right guy at the wrong time. He was a likable lead with a strong supporting cast, but Marvel looks ready to turn the page. Those on the Marvel side have previously indicated they'd avoid doing another origin story, so we'll probably skip seeing Uncle Ben killed to inspire Peter Parker once again. "The new relationship follows a decade of speculation among fans about whether Spider-Man – who has always been an integral and important part of the larger Marvel Universe in the comic books – could become part of the Marvel Universe on the big screen," Marvel said in the announcement of the new deal. Fans online have been largely ecstatic over the announcement of Marvel getting control of the character. Reports indicate that Sony still gets final say over Spider-Man, but that they're letting Marvel take the creative lead. Marvel also announced the possibility that other Marvel characters could appear in future Spider-Man films. While Sony's Amy Pascal stepped down as the motion picture head of Sony following the hacking scandal and its associated public embarrassments, she's staying on as a producer — including co-producing the next Spider-Man film with Marvel creative film leader Kevin Feige. Some fans have also asked for an even bigger step away from the traditional Spider-Man by introducing Miles Morales, the popular half-black/half-hispanic Spider-Man from an alternate universe in the comics, but the official Marvel press release does mention Peter Parker, and Marvel executives have previously taken a strong stance against moving away from Parker as the secret identity. Still, as Badass Digest's Devin Faraci notes, the executive who'd taken the strongest stance against Miles Morales — Avi Arad — isn't mentioned in the press release about the new film, so maybe Marvel will surprise fans once again. Also, relations have apparently been icier between Marvel and Fox, with fans speculating that Marvel is trying to ice out the X-Men and the Fantastic Four from their comics — but if the companies could work out a deal to use those heroes in a Marvel Cinematic Universe film, it could prove to be an even bigger surprise. The new Spider-Man film is set for July 28, 2017, and he may appear in another Marvel film sooner. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
id Groupoid description of modular structures By journals.iucr.org Published On :: The application of groupoids to modular crystal structures is presented. Full Article text
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id Multiple Bragg reflection by a thick mosaic crystal. II. Simplified transport equation solved on a grid By journals.iucr.org Published On :: To describe multiple Bragg reflection from a thick, ideally imperfect crystal, the transport equations are reformulated in three-dimensional phase space and solved by spectral collocation in the depth coordinate. Example solutions illustrate the orientational spread of multiply reflected rays and the distortion of rocking curves, especially for finite detectors. Full Article text
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