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Crystal structure, Hirshfeld surface analysis and DFT studies of 1,3-bis­[2-meth­oxy-4-(prop-2-en-1-yl)phen­oxy]propane

The asymmetric unit of the title compound, C23H28O4, comprises two half-mol­ecules, with the other half of each mol­ecule being completed by the application of twofold rotation symmetry. The two completed mol­ecules both have a V-shaped appearance but differ in their conformations. In the crystal, each independent mol­ecule forms chains extending parallel to the b axis with its symmetry-related counterparts through C—H⋯π(ring) inter­actions. Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (65.4%), H⋯C/C⋯H (21.8%) and H⋯O/O⋯H (12.3%) inter­actions. Optimized structures using density functional theory (DFT) at the B3LYP/6–311 G(d,p) level are compared with the experimentally determined mol­ecular structures in the solid state. The HOMO–LUMO behaviour was elucidated to determine the energy gap.




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Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 1-(1,3-benzo­thia­zol-2-yl)-3-(2-hy­droxy­eth­yl)imidazolidin-2-one

In the title mol­ecule, C12H13N3O2S, the benzo­thia­zine moiety is slightly non-planar, with the imidazolidine portion twisted only a few degrees out of the mean plane of the former. In the crystal, a layer structure parallel to the bc plane is formed by a combination of O—HHydethy⋯NThz hydrogen bonds and weak C—HImdz⋯OImdz and C—HBnz⋯OImdz (Hydethy = hy­droxy­ethyl, Thz = thia­zole, Imdz = imidazolidine and Bnz = benzene) inter­actions, together with C—HImdz⋯π(ring) and head-to-tail slipped π-stacking [centroid-to-centroid distances = 3.6507 (7) and 3.6866 (7) Å] inter­actions between thia­zole rings. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (47.0%), H⋯O/O⋯H (16.9%), H⋯C/C⋯H (8.0%) and H⋯S/S⋯H (7.6%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Computational chemistry indicates that in the crystal, C—H⋯N and C—H⋯O hydrogen-bond energies are 68.5 (for O—HHydethy⋯NThz), 60.1 (for C—HBnz⋯OImdz) and 41.8 kJ mol−1 (for C—HImdz⋯OImdz). 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.




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Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-di­hydro-8aH-carbazol-9-yl)phen­yl]-1-(4-nitro­phen­yl)prop-2-en-1-one (CPNC), C27H18N2O3, was synthesized using a Claisen–Schmidt condensation reaction. CPNC crystallizes in the monoclinic non-centrosymmetric space group Cc and adopts an s-cis conformation with respect to the ethyl­enic double bonds (C=O and C=C). The crystal packing features C—H⋯O and C—H⋯π inter­actions whose percentage contribution was qu­anti­fied by Hirshfeld surface analysis. Quantum chemistry calculations including geometrical optimization and mol­ecular electrostatic potential (MEP) were analysed by density functional theory (DFT) with a B3LYP/6–311 G++(d,p) basis set.




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Crystal structure, Hirshfeld surface analysis and DFT studies of 1-[r-2,c-6-diphenyl-t-3-(propan-2-yl)piperidin-1-yl]ethan-1-one

In the title compound, C22H27NO, the piperidine ring adopts a chair conformation. The dihedral angles between the mean plane of the piperidine ring and the phenyl rings are 89.78 (7) and 48.30 (8)°. In the crystal, mol­ecules are linked into chains along the b-axis direction by C—H⋯O hydrogen bonds. The DFT/B3LYP/6–311 G(d,p) method was used to determine the HOMO–LUMO energy levels. The mol­ecular electrostatic potential surfaces were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots were used to analyse the inter­molecular inter­actions in the mol­ecule.




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Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of (S)-10-propargyl­pyrrolo­[2,1-c][1,4]benzodiazepine-5,11-dione

The title compound, C15H14N2O2, consists of pyrrole and benzodiazepine units linked to a propargyl moiety, where the pyrrole and diazepine rings adopt half-chair and boat conformations, respectively. The absolute configuration was assigned on the the basis of l-proline, which was used in the synthesis of benzodiazepine. In the crystal, weak C—HBnz⋯ODiazp and C—HProprg⋯ODiazp (Bnz = benzene, Diazp = diazepine and Proprg = proparg­yl) hydrogen bonds link the mol­ecules into two-dimensional networks parallel to the bc plane, enclosing R44(28) ring motifs, with the networks forming oblique stacks along the a-axis direction. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (49.8%), H⋯C/C⋯H (25.7%) and H⋯O/O⋯H (20.1%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Computational chemistry indicates that in the crystal, C—H⋯O hydrogen-bond energies are 38.8 (for C—HBnz⋯ODiazp) and 27.1 (for C—HProprg⋯ODiazp) kJ mol−1. 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.




udi

Crystal structure, Hirshfeld surface analysis and inter­action energy, DFT and anti­bacterial activity studies of ethyl 2-[(2Z)-2-(2-chloro­benzyl­idene)-3-oxo-3,4-di­hydro-2H-1,4-benzo­thia­zin-4-yl]acetate

The title compound, C19H16ClNO3S, consists of chloro­phenyl methyl­idene and di­hydro­benzo­thia­zine units linked to an acetate moiety, where the thia­zine ring adopts a screw-boat conformation. In the crystal, two sets of weak C—HPh⋯ODbt (Ph = phenyl and Dbt = di­hydro­benzo­thia­zine) hydrogen bonds form layers of mol­ecules parallel to the bc plane. The layers stack along the a-axis direction with inter­calation of the ester chains. The crystal studied was a two component twin with a refined BASF of 0.34961 (5). The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions to the crystal packing are from H⋯H (37.5%), H⋯C/C⋯H (24.6%) and H⋯O/O⋯H (16.7%) inter­actions. Hydrogen-bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Computational chemistry indicates that in the crystal, C—HPh⋯ODbt hydrogen bond energies are 38.3 and 30.3 kJ mol−1. 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. Moreover, the anti­bacterial activity of the title compound has been evaluated against gram-positive and gram-negative bacteria.




udi

Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 2-(2,3-di­hydro-1H-perimidin-2-yl)-6-meth­oxy­phenol

The title compound, C18H16N2O2, consists of perimidine and meth­oxy­phenol units, where the tricyclic perimidine unit contains a naphthalene ring system and a non-planar C4N2 ring adopting an envelope conformation with the NCN group hinged by 47.44 (7)° with respect to the best plane of the other five atoms. In the crystal, O—HPhnl⋯NPrmdn and N—HPrmdn⋯OPhnl (Phnl = phenol and Prmdn = perimidine) hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. Weak C—H⋯π inter­actions may further stabilize the crystal structure. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (49.0%), H⋯C/C⋯H (35.8%) and H⋯O/O⋯H (12.0%) inter­actions. Hydrogen bonding and van der Waals inter­actions are the dominant inter­actions in the crystal packing. Computational chemistry indicates that in the crystal, the O—HPhnl⋯NPrmdn and N—HPrmdn⋯OPhnl hydrogen-bond energies are 58.4 and 38.0 kJ mol−1, respectively. 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.




udi

Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromo­dodec­yl)-2-(4-nitro­phen­yl)-4H-imidazo[4,5-b]pyridine

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.




udi

Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(tri­fluoro­meth­yl)benz­yl]imino­meth­yl}phenol

The title compound, C23H28F3NO, is an ortho-hy­droxy Schiff base compound, which adopts the enol–imine tautomeric form in the solid state. The mol­ecular structure is not planar and the dihedral angle between the planes of the aromatic rings is 85.52 (10)°. The tri­fluoro­methyl group shows rotational disorder over two sites, with occupancies of 0.798 (6) and 0.202 (6). An intra­molecular O—H⋯N hydrogen bonding generates an S(6) ring motif. The crystal structure is consolidated by C—H⋯π inter­actions. The mol­ecular structure was optimized via density functional theory (DFT) methods with the B3LYP functional and LanL2DZ basis set. The theoretical structure is in good agreement with the experimental data. The frontier orbitals and mol­ecular electrostatic potential map were also examined by DFT computations.




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On-chip crystallization for serial crystallography experiments and on-chip ligand-binding studies

Efficient and reliable sample delivery has remained one of the bottlenecks for serial crystallography experiments. Compared with other methods, fixed-target sample delivery offers the advantage of significantly reduced sample consumption and shorter data collection times owing to higher hit rates. Here, a new method of on-chip crystallization is reported which allows the efficient and reproducible growth of large numbers of protein crystals directly on micro-patterned silicon chips for in-situ serial crystallography experiments. Crystals are grown by sitting-drop vapor diffusion and previously established crystallization conditions can be directly applied. By reducing the number of crystal-handling steps, the method is particularly well suited for sensitive crystal systems. Excessive mother liquor can be efficiently removed from the crystals by blotting, and no sealing of the fixed-target sample holders is required to prevent the crystals from dehydrating. As a consequence, `naked' crystals are obtained on the chip, resulting in very low background scattering levels and making the crystals highly accessible for external manipulation such as the application of ligand solutions. Serial diffraction experiments carried out at cryogenic temperatures at a synchrotron and at room temperature at an X-ray free-electron laser yielded high-quality X-ray structures of the human membrane protein aquaporin 2 and two new ligand-bound structures of thermolysin and the human kinase DRAK2. The results highlight the applicability of the method for future high-throughput on-chip screening of pharmaceutical compounds.




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A cryo-EM grid preparation device for time-resolved structural studies

Structural biology generally provides static snapshots of protein conformations that can provide information on the functional mechanisms of biological systems. Time-resolved structural biology provides a means to visualize, at near-atomic resolution, the dynamic conformational changes that macromolecules undergo as they function. X-ray free-electron-laser technology has provided a powerful tool to study enzyme mechanisms at atomic resolution, typically in the femtosecond to picosecond timeframe. Complementary to this, recent advances in the resolution obtainable by electron microscopy and the broad range of samples that can be studied make it ideally suited to time-resolved approaches in the microsecond to millisecond timeframe to study large loop and domain motions in biomolecules. Here we describe a cryo-EM grid preparation device that permits rapid mixing, voltage-assisted spraying and vitrification of samples. It is shown that the device produces grids of sufficient ice quality to enable data collection from single grids that results in a sub-4 Å reconstruction. Rapid mixing can be achieved by blot-and-spray or mix-and-spray approaches with a delay of ∼10 ms, providing greater temporal resolution than previously reported mix-and-spray approaches.




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Polymorph evolution during crystal growth studied by 3D electron diffraction

3D electron diffraction (3DED) has been used to follow polymorph evolution in the crystallization of glycine from aqueous solution. The three polymorphs of glycine which exist under ambient conditions follow the stability order β < α < γ. The least stable β polymorph forms within the first 3 min, but this begins to yield the α-form after only 1 min more. Both structures could be determined from continuous rotation electron diffraction data collected in less than 20 s on crystals of thickness ∼100 nm. Even though the γ-form is thermodynamically the most stable polymorph, kinetics favour the α-form, which dominates after prolonged standing. In the same sample, some β and one crystallite of the γ polymorph were also observed.




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Small-angle neutron scattering studies suggest the mechanism of BinAB protein internalization

Small-angle neutron scattering (SANS) is one of the most widely used neutron-based approaches to study the solution structure of biological macromolecular systems. The selective deuterium labelling of different protein components of a complex provides a means to probe conformational changes in multiprotein complexes. The Lysinibacillus sphaericus mosquito-larvicidal BinAB proteins exert toxicity through interaction with the receptor Cqm1 protein; however, the nature of the complex is not known. Rationally engineered deuterated BinB (dBinB) protein from the L. sphaericus ISPC-8 species was synthesized using an Escherichia coli-based protein-expression system in M9 medium in D2O for `contrast-matched' SANS experiments. SANS data were independently analysed by ab initio indirect Fourier transform-based modelling and using crystal structures. These studies confirm the dimeric status of Cqm1 in 100% D2O with a longest intramolecular vector (Dmax) of ∼94 Å and a radius of gyration (Rg) of ∼31 Å. Notably, BinB binds to Cqm1, forming a heterodimeric complex (Dmax of ∼129 Å and Rg of ∼40 Å) and alters its oligomeric status from a dimer to a monomer, as confirmed by matched-out Cqm1–dBinB (Dmax of ∼70 Å and Rg of ∼22 Å). The present study thus provides the first insight into the events involved in the internalization of larvicidal proteins, likely by raft-dependent endocytosis.




udi

Li-ion half-cells studied operando during cycling by small-angle neutron scattering

Small-angle neutron scattering (SANS) was recently applied to the in situ and operando study of the charge/discharge process in Li-ion battery full-cells based on a pouch cell design. Here, this work is continued in a half-cell with a graphite electrode cycled versus a metallic lithium counter electrode, in a study conducted on the SANS-1 instrument of the neutron source FRM II at the Heinz Maier-Leibnitz Zentrum in Garching, Germany. It is confirmed that the SANS integrated intensity signal varies as a function of graphite lithiation, and this variation can be explained by changes in the squared difference in scattering length density between graphite and the electrolyte. The scattering contrast change upon graphite lithiation/delithiation calculated from a multi-phase neutron scattering model is in good agreement with the experimentally measured values. Due to the finite coherence length, the observed SANS contrast, which mostly stems from scattering between the (lithiated) graphite and the electrolyte phase, contains local information on the mesoscopic scale, which allows the development of lithiated phases in the graphite to be followed. The shape of the SANS signal curve can be explained by a core–shell model with step-wise (de)lithiation from the surface. Here, for the first time, X-ray diffraction, SANS and theory are combined to give a full picture of graphite lithiation in a half-cell. The goal of this contribution is to confirm the correlation between the integrated SANS data obtained during operando measurements of an Li-ion half-cell and the electrochemical processes of lithiation/delithiation in micro-scaled graphite particles. For a deeper understanding of this correlation, modelling and experimental data for SANS and results from X-ray diffraction were taken into account.




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Giant prehistoric turtle from Colombia chomped everything in sight–including crocodiles!

The specimen’s skull measures 24 centimeters, roughly the size of a regulation NFL football. The shell which was recovered nearby – and is believed to belong to the same species – measures 172 centimeters, or about 5 feet 7 inches, long.

The post Giant prehistoric turtle from Colombia chomped everything in sight–including crocodiles! appeared first on Smithsonian Insider.




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Yellow pigment in penguin feathers is chemically distinct, spectroscopic studies reveal

Recent spectroscopic analysis of macaroni penguin (Eudyptes chrysolophus) crest feathers and king penguin (Aptenodytes patagonicus) neck feathers have shown they contain a yellow pigment that […]

The post Yellow pigment in penguin feathers is chemically distinct, spectroscopic studies reveal appeared first on Smithsonian Insider.




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Scientists shine light on world’s least-studied bat: Mortlock Islands flying fox

The Mortlock Islands flying fox, a large, breadfruit-eating bat native to a few remote and tiny Pacific islands, has long been regarded as one of […]

The post Scientists shine light on world’s least-studied bat: Mortlock Islands flying fox appeared first on Smithsonian Insider.




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Study of bacteria inside guts of wild Canada geese shows greater danger than earlier studies exposed

In the early 20th century, Canada geese were considered endangered in the U.S. So in the 1950s and 1960s, birds from the Midwest were released […]

The post Study of bacteria inside guts of wild Canada geese shows greater danger than earlier studies exposed appeared first on Smithsonian Insider.




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Windows Server 2016: Audio In/Out through Remote Desktop to Thinclients




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The artistry of Tlingit weaving is practiced by a dedicated few including artists Teri Rofkar and Shelly Laws of Alaska

It takes a Tlingit artist up to 2,000 hours, or 83 days, to weave just one ceremonial robe. Not surprisingly, this art form is practiced by a dedicated few including Tlingit artists Teri Rofkar and Shelly Laws of Alaska. In their presentation for the Smithsonian Spotlight series hosted by the Arctic Studies Center at the Anchorage Museum, Rofkar and Laws discuss the methods and cultural significance of robes, spruce root baskets and more.
For more information, go to http://www.mnh.si.edu/arctic/html/alaska.htm

The post The artistry of Tlingit weaving is practiced by a dedicated few including artists Teri Rofkar and Shelly Laws of Alaska appeared first on Smithsonian Insider.



  • Video
  • National Museum of Natural History




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Conrad Labandiera, Smithsonian palentologist, studies fossils to learn how insects got along before flowering plants arrived

The post Conrad Labandiera, Smithsonian palentologist, studies fossils to learn how insects got along before flowering plants arrived appeared first on Smithsonian Insider.




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Meet our Scientist Rachel Page. She studies frog-eating bats, and other animals, in Panama

Meet Rachel Page, a Smithsonian scientist in Panama who studies frog-eating bats (fringe-lipped bats), among other topics. Her current research focuses on learning and memory in neotropical bats, combining field studies with laboratory experiments to learn about predator cognition and its effects on the evolution of their prey.

The post Meet our Scientist Rachel Page. She studies frog-eating bats, and other animals, in Panama appeared first on Smithsonian Insider.




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Beautiful Japan: Benten Festival 1917-1918, from the Smithsonian’s Human Studies Film Archive

This film is from the collections of the Human Studies Film Archives, Smithsonian Institution. Clip from silent film, Beautiful Japan (1917-18), by travel-lecturer Benjamin Brodsky. Benten Festival is celebrated on Shiraishi Island. Benten (Benzaiten) is the Goddess of the Sea and one of the Seven Lucky Gods of Japan.

The post Beautiful Japan: Benten Festival 1917-1918, from the Smithsonian’s Human Studies Film Archive appeared first on Smithsonian Insider.




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Construction of Mount Rushmore National Memorial from the Smithsonian’s Human Studies Film Archives

Clip from silent edited film "Bryson Jones Travelogue: Lure of the West" (ca. 1927) shows Mount Rushmore National Memorial under construction, including blasting off cliff face, scaffolding, men working, and the completed monument.

The post Construction of Mount Rushmore National Memorial from the Smithsonian’s Human Studies Film Archives appeared first on Smithsonian Insider.




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Geisha Hairstyling, ca. 1927, a silent black & white archival film clip from the Smithsonian’s Human Studies Film Archives

Silent black & white archival film clip from "Japan: Promotional and Theatrical Footage, ca. 1927". The full film, which is 17 minutes long, includes segments from what are believed to be a theatrical film, a promotional film and, possibly, amateur film - all of unknown origin.

The post Geisha Hairstyling, ca. 1927, a silent black & white archival film clip from the Smithsonian’s Human Studies Film Archives appeared first on Smithsonian Insider.





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Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-di­hydro-1H-perimidin-2-yl)phenol

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.




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Co-crystal structure, Hirshfeld surface analysis and DFT studies of 3,4-ethyl­ene­dioxy­thio­phene solvated bis­[1,3-bis­(penta­fluoro­phen­yl)propane-1,3-dionato]copper(II)

The title complex, Cu(L)2 or [Cu(C15HF10O2)2], comprising one copper ion and two fully fluorinated ligands (L−), was crystallized with 3,4-ethyl­ene­dioxy­thio­phene (EDOT, C6H6O2S) as a guest mol­ecule to give in a di­chloro­methane solution a unique co-crystal, Cu(L)2·3C6H6O2S.




udi

Crystal structure, Hirshfeld surface analysis and DFT studies of 2-(2,3-dihydro-1H-perimidin-2-yl)phenol

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.




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Synthesis, decom­position studies and crystal structure of a three-dimensional CuCN network structure with protonated N-methyl­ethano­lamine as the guest cation

The com­pound poly[2-hy­droxy-N-methyl­ethan-1-aminium [μ3-cyanido-κ3C:C:N-di-μ-cyanido-κ4C:N-dicuprate(I)]], {(C3H10NO)[Cu2(CN)3]}n or [meoenH]Cu2(CN)3, crystallizes in the tetra­gonal space group P43. The structure consists of a three-dimensional (3D) anionic CuICN network with noncoordinated protonated N-methyl­ethano­lamine cations providing charge neutrality. Pairs of cuprophilic Cu atoms are bridged by the C atoms of μ3-cyanide ligands, which link these units into a 43 spiral along the c axis. The spirals are linked together into a 3D anionic network by the two other cyanide groups. The cationic moieties are linked into their own 43 spiral via N—H⋯O and O—H⋯O hydrogen bonds, and the cations inter­act with the 3D network via an unusual pair of N—H⋯N hydrogen bonds to one of the μ2-cyanide groups. Thermogravimetric analysis indicates an initial loss of the base cation and one cyanide as HCN at temperatures in the range 130–250 °C to form CuCN. We show how loss of a specific cyanide group from the 3D CuCN structure could form the linear CuCN structure. Further heating leaves a residue of elemental copper, isolated as the oxide.




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WWE looks to springboard from Wrestlemania 31 into new audiences

Brock Lesnar after losing his championship in the main event of Wrestlemania 31.; Credit: WWE

Mike Roe

World Wrestling Entertainment held their annual Wrestlemania show last weekend in Northern California, the culmination of another year's worth of spectacle. According to the company, it was their highest grossing event of all-time, drawing $12.6 million, with an official attendance placing it fifth on their list of all-time crowds for the event. The show was headlined by former UFC Heavyweight Champion Brock Lesnar going up against up-and-coming star (and a relative of Dwayne "The Rock" Johnson) Roman Reigns.

WWE Network

It comes at a time when the company has embarked on a new way of making money: their over-the-top online programming provider, the WWE Network, where fans can pay $9.99 a month to see programming including what formerly used to cost $45 for most shows and $60 for Wrestlemania. They're one year in now on gambling that enough fans will want the Network that it will ultimately make them more money in the long-term, despite losing that pay-per-view revenue. Wall Street doesn't appear to be buying it — after announcing the day after Wrestlemania that they'd hit 1.3 million subscribers, WWE's stock took a significant loss.

"The point is not whether it's real or if it's staged. The point is, are you entertained by it, or not?" former WWE announcer Jim Ross told KPCC in an interview. WWE is looking for more fans to be entertained enough to plunk down $9.99 for all the pro wrestling content they want.

NXT

They're also in a transitional period with their audiences. They've launched a new show that's only on the Network called "NXT," turning their minor league into a program targeting hardcore pro wrestling fans with a different style of show than the more family-targeted "Raw" and "Smackdown." It's also where they groom potential future stars, many of whom seem to break the mold of some of the traditional stars on WWE's main roster.

They're signing up talent that's been getting buzz on the independent circuits, trying to create their own underground movement that hopefully spells money, and taking the NXT brand on tour for the first time. On the Raw after Wrestlemania, several NXT stars made their debut on the main roster. That follows a sell-out crowd (albeit at a smaller 5,000 seat venue) on the Friday night before Wrestlemania for a non-televised NXT show.

Give Divas a chance

WWE also faces cultural forces pushing them in new directions, including a difference in how society deals with gender. When WWE executive Stephanie McMahon, daughter of the famed Vince McMahon, tweeted in support of Patricia Arquette's speech calling for greater equality for women at the Academy Awards, one of their own wrestlers, AJ Lee, responded by publicly calling Stephanie McMahon out on Twitter for not promoting the women in her own company equally and paying them less than the male stars.

AJ tweet 1

AJ tweet 2

Of course, the women in the company aren't given the same prominence as the men in part because it's felt that they won't make the company as much money. Still, it forced WWE's hand and Stephanie McMahon and the company as a whole publicly embraced the idea of giving the women (who WWE brands as "divas") a chance with the Give Divas A Chance movement (and accompanying trending hashtag).

What's next

The women have been promoted nearly equal to the men in that underground NXT league, but only time will tell if it continues to trickle upward. Wrestlemania didn't seem to show huge promise of that happening, with the one women's match of the show only getting a few minutes in the ring. However, the show also included a high-profile storyline with UFC female fighter and champion Ronda Rousey alongside the Rock, going up against Stephanie McMahon and Triple H, so there appears to be the room for women in prominent positions when they have the right storyline.

Whether WWE is able to wade through these forces of change to make more money — and perhaps regain some of the cultural currency that they've lost since becoming a monopoly and purchasing their top competition in 2001 — remains to be seen. They've stayed relatively steady despite a challenge from UFC, which many see as being what pro wrestling would be like if WWE didn't present fictional  They'll have to hope that giving new stars, including "divas," a chance will take them to another level.

This content is from Southern California Public Radio. View the original story at SCPR.org.




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Changing Audio File Formats

MP3 -> Wave or Wave -> MP3




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Using Audacity To Convert Audio Files




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Report Links Disease to Herbicides - Calls for New Studies of Exposed Vietnam Veterans

Evidence exists linking three cancers and two other health problems with chemicals used in herbicides in the Vietnam War, a committee of the Institute of Medicine (IOM) has concluded.




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Allowable Levels of Copper in Drinking Water Should Not Be Increased Until Studies Are Done

The federal government should not increase the maximum level of copper allowed in drinking water, because higher levels could lead to liver poisoning in infants and children with certain genetic disorders.




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Studies Suggest a Possible Link Between Military Service and ALS

A limited body of evidence suggests an association between military service and later development of amyotrophic lateral sclerosis (ALS), a rare but fatal neurodegenerative disorder, says a new report from the Institute of Medicine.




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New Report Finds EPA’s Controlled Human Exposure Studies of Air Pollution Are Warranted

The U.S. Environmental Protection Agency (EPA) carries out experiments in which volunteer participants agree to be intentionally exposed by inhalation to specific pollutants at restricted concentrations over short periods to obtain important information about the effects of outdoor air pollution on human health.




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New Report One of Most Comprehensive Studies on Health Effects of E-Cigarettes - Finds That Using E-Cigarettes May Lead Youth to Start Smoking, Adults to Stop Smoking

A new congressionally mandated report from the National Academies of Sciences, Engineering, and Medicine takes a comprehensive look at evidence on the human health effects of e-cigarettes.




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Permanent Supportive Housing Holds Potential for Improving Health of People Experiencing Homelessness, but Further Research on Effectiveness Is Needed, Including Studies On ‘Housing Sensitive’ Health Conditions

A new report from the National Academies of Sciences, Engineering, and Medicine examines evidence on whether providing permanent supportive housing (PSH) – a combination of stable housing and supportive services -- to individuals who are experiencing homelessness improves their health.




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Determining Whether There Is a Link Between Antimalarial Drugs and Persistent Health Effects Requires More Rigorous Studies

Although the immediate side effects of antimalarial drugs are widely recognized, few studies were designed specifically to examine health problems that might occur or persist months or years after people stopped taking them.




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DOD Biological Threat Reduction Program Should Be Part of a New Interagency Mechanism to Coordinate Efforts to Prevent Biological Threats, Including Natural Disease Outbreaks - Report Offers Five-Year Strategy for BTRP

Over the next five years, the U.S. Department of Defense’s Biological Threat Reduction Program (BTRP) should encourage and be among co-leaders in the federal government’s development of an enduring interagency mechanism to address an array of biological threats – including natural disease outbreaks, accidental releases, and intentional attacks -- to deployed U.S. forces and to the nation itself, says a new report from the National Academies of Sciences, Engineering, and Medicine




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Why Fake Video, Audio May Not Be As Powerful In Spreading Disinformation As Feared

"Deepfakes" are digitally altered images that make incidents appear real when they are not. Such altered files could have broad implications for politics.; Credit: /Marcus Marritt for NPR

Philip Ewing | NPR

Sophisticated fake media hasn't emerged as a factor in the disinformation wars in the ways once feared — and two specialists say it may have missed its moment.

Deceptive video and audio recordings, often nicknamed "deepfakes," have been the subject of sustained attention by legislators and technologists, but so far have not been employed to decisive effect, said two panelists at a video conference convened on Wednesday by NATO.

One speaker borrowed Sherlock Holmes' reasoning about the significance of something that didn't happen.

"We've already passed the stage at which they would have been most effective," said Keir Giles, a Russia specialist with the Conflict Studies Research Centre in the United Kingdom. "They're the dog that never barked."

The perils of deepfakes in political interference have been discussed too often and many people have become too familiar with them, Giles said during the online discussion, hosted by NATO's Strategic Communications Centre of Excellence.

Following all the reports and revelations about election interference in the West since 2016, citizens know too much to be hoodwinked in the way a fake video might once have fooled large numbers of people, he argued: "They no longer have the power to shock."

Tim Hwang, director of the Harvard-MIT Ethics and Governance of AI Initiative, agreed that deepfakes haven't proven as dangerous as once feared, although for different reasons.

Hwang argued that users of "active measures" (efforts to sow misinformation and influence public opinion) can be much more effective with cheaper, simpler and just as devious types of fakes — mis-captioning a photo or turning it into a meme, for example.

Influence specialists working for Russia and other governments also imitate Americans on Facebook, for another example, worming their way into real Americans' political activities to amplify disagreements or, in some cases, try to persuade people not to vote.

Other researchers have suggested this work continues on social networks and has become more difficult to detect.

Defense is stronger than attack

Hwang also observed that the more deepfakes are made, the better machine learning becomes at detecting them.

A very sophisticated, real-looking fake video might still be effective in a political context, he acknowledged — and at a cost to create of around $10,000, it would be easily within the means of a government's active measures specialists.

But the risks of attempting a major disruption with such a video may outweigh an adversary's desire to use one. People may be too media literate, as Giles argued, and the technology to detect a fake may mean it can be deflated too swiftly to have an effect, as Hwang said.

"I tend to be skeptical these will have a large-scale impact over time," he said.

One technology boss told NPR in an interview last year that years' worth of work on corporate fraud protection systems has given an edge to detecting fake media.

"This is not a static field. Obviously, on our end we've performed all sorts of great advances over this year in advancing our technology, but these synthetic voices are advancing at a rapid pace," said Brett Beranek, head of security business for the technology firm Nuance. "So we need to keep up."

Beranek described how systems developed to detect telephone fraudsters could be applied to verify the speech in a fake clip of video or audio.

Corporate clients that rely on telephone voice systems must be wary about people attempting to pose as others with artificial or disguised voices. Beranek's company sells a product that helps to detect them and that countermeasure also works well in detecting fake audio or video.

Machines using neural networks can detect known types of synthetic voices. Nuance also says it can analyze a recording of a real known voice — say, that of a politician — and then contrast its characteristics against a suspicious recording.

Although the world of cybersecurity is often described as one in which attackers generally have an edge over defenders, Beranek said he thought the inverse was true in terms of this kind of fraud detection.

"For the technology today, the defense side is significantly ahead of the attack side," he said.

Shaping the battlefield

Hwang and Giles acknowledged in the NATO video conference that deepfakes likely will proliferate and become lower in cost to create, perhaps becoming simple enough to make with a smartphone app.

One prospective response is the creation of more of what Hwang called "radioactive data" — material earmarked in advance so that it might make a fake easier to detect.

If images of a political figure were so tagged beforehand, they could be spotted quickly if they were incorporated by computers into a deceptive video.

Also, the sheer popularity of new fakes, if that is what happens, might make them less valuable as a disinformation weapon. More people could become more familiar with them, as well as being detectable by automated systems — plus they may also have no popular medium on which to spread.

Big social media platforms already have declared affirmatively that they'll take down deceptive fakes, Hwang observed. That might make it more difficult for a scenario in which a politically charged fake video went viral just before Election Day.

"Although it might get easier and easier to create deepfakes, a lot of the places where they might spread most effectively, your Facebooks and Twitters of the world, are getting a lot more aggressive about taking them down," Hwang said.

That won't stop them, but it might mean they'll be relegated to sites with too few users to have a major effect, he said.

"They'll percolate in these more shady areas."

Copyright 2020 NPR. To see more, visit https://www.npr.org.

This content is from Southern California Public Radio. View the original story at SCPR.org.




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Theaters Shutter, Studios Postpone, Checking-In On How The Entertainment Industry Is Changing Amid The Outbreak

Pedestrians walk by the Castro Theatre that has a marquee announcing that they are closed due to a statewide ordinance banning gatherings of more than 250 people in San Francisco, California. ; Credit: Justin Sullivan/Getty Images

FilmWeek®

Hollywood has come to a stand still. The film and entertainment industry has been hit hard by the coronavirus outbreak as theaters close, film releases and events are being postponed, and studios are putting a pause on film production.

The gravity of the coronavirus is being felt all throughout the country and Hollywood is not coming out of the outbreak unscathed. Social distancing measures being enforced to help control the outbreak has studios and theatres taking a huge hit. It’s predicted that about 170,000 people in the film industry will lose their jobs. Many of the lowest-paid positions and freelance jobs have been the first to go. From events to films, the industry is trying to strategize around the outbreak with no clear picture on how long these conditions could last. Hollywood unions, activist groups and nonprofits are coming together to help provide some kind of emergency relief for workers who are getting hit the hardest. It’s been a period of economic shock for the entertainment industry and it’s still too early to see what Hollywood could look like after the outbreak is over.

Today on AirTalk, we check-in with people in the entertainment industry who have been impacted by the outbreak and where might Hollywood go from here. If you work in entertainment, we'd like to hear from you! How are you coping as most productions are shut down? Join the live conversation by calling 866-893-5722.

Guest:

Andrew Wallenstein, co-editor-in-chief at Variety; he tweets @awallenstein

This content is from Southern California Public Radio. View the original story at SCPR.org.