ben Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one By scripts.iucr.org Published On :: 2020-02-14 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. Full Article text
ben Crystal structure and Hirshfeld surface analysis of (E)-3-(benzylideneamino)-5-phenylthiazolidin-2-iminium bromide By scripts.iucr.org Published On :: 2020-02-21 The central thiazolidine ring of the title salt, C16H16N3S+·Br−, adopts an envelope conformation, with the C atom bearing the phenyl ring as the flap atom. In the crystal, the cations and anions are linked by N—H⋯Br hydrogen bonds, forming chains parallel to the b-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (46.4%), C⋯H/H⋯C (18.6%) and H⋯Br/Br⋯H (17.5%) interactions. Full Article text
ben Synthesis, crystal structure, and thermal properties of poly[aqua(μ5-2,5-dicarboxybenzene-1,4-dicarboxylato)strontium] By scripts.iucr.org Published On :: 2020-02-14 A coordination polymer formulated as [Sr(H2BTEC)(H2O)]n (H4BTEC = benzene-1,2,4,5-tetracarboxylic acid, C10H6O8), was synthesized hydrothermally and characterized by single-crystal and powder X-ray diffraction, scanning electron microscopy and thermal analysis. Its crystal structure is made up of a zigzag inorganic chain formed by edge-sharing of [SrO8] polyhedra running along [001]. Adjacent chains are connected to each other via the carboxylate groups of the ligand, resulting in a double-layered network extending parallel to (100). O—H⋯O hydrogen bonds of medium-to-weak strength between the layers consolidate the three-dimensional structure. One of the carboxylic OH functions was found to be disordered over two sets of sites with half-occupancy. Full Article text
ben Crystal structure of 1-[(4-methylbenzene)sulfonyl]pyrrolidine By scripts.iucr.org Published On :: 2020-02-28 The molecular structure of the title compound, C11H15NO2S, features a sulfonamide group with S=O bond lengths of 1.4357 (16) and 1.4349 (16) Å, an S—N bond length of 1.625 (2) Å, and an S—C bond length of 1.770 (2) Å. When viewing the molecule down the S—N bond, both N—C bonds of the pyrrolidine ring are oriented gauche to the S—C bond with torsion angles of −65.6 (2)° and 76.2 (2)°. The crystal structure features both intra- and intermolecular C—H⋯O hydrogen bonds, as well as intermolecular C—H⋯π and π–π interactions, leading to the formation of sheets parallel to the ac plane. Full Article text
ben Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol By scripts.iucr.org Published On :: 2020-03-03 The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized dithioether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This dithioacetal 1 crystallizes in the orthorhombic space group Pbca. The phenyl rings of the benzyl groups and that of the vanillin unit form dihedral angles of 35.38 (6) and 79.77 (6)°, respectively. The crystal structure, recorded at 100 K, displays both weak intramolecular O—H⋯O and intermolecular O—H⋯S hydrogen bonding. Full Article text
ben Whole-molecule disorder of the Schiff base compound 4-chloro-N-(4-nitrobenzylidene)aniline: crystal structure and Hirshfeld surface analysis By scripts.iucr.org Published On :: 2020-02-18 In the crystal of the title Schiff base compound, C13H9ClN2O2, [CNBA; systematic name: (E)-N-(4-chlorophenyl)-1-(4-nitrophenyl)methanimine], the CNBA molecule shows whole-molecule disorder (occupancy ratio 0.65:0.35), with the disorder components related by a twofold rotation about the shorter axis of the molecule. The aromatic rings are inclined to each other by 39.3 (5)° in the major component and by 35.7 (9)° in the minor component. In the crystal, C—H⋯O hydrogen bonds predominate in linking the major components, while weak C—H⋯Cl interactions predominate in linking the minor components. The result is the formation of corrugated layers lying parallel to the ac plane. The crystal packing was analysed using Hirshfeld surface analysis and compared with related structures. Full Article text
ben Polymorphism of 2-(5-benzyl-6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)acetic acid with two monoclinic modifications: crystal structures and Hirshfeld surface analyses By scripts.iucr.org Published On :: 2020-02-25 Two polymorphs of the title compound, C19H16N2O3, were obtained from ethanolic (polymorph I) and methanolic solutions (polymorph II), respectively. Both polymorphs crystallize in the monoclinic system with four formula units per cell and a complete molecule in the asymmetric unit. The main difference between the molecules of (I) and (II) is the reversed position of the hydroxy group of the carboxylic function. All other conformational features are found to be similar in the two molecules. The different orientation of the OH group results in different hydrogen-bonding schemes in the crystal structures of (I) and (II). Whereas in (I) intermolecular O—H⋯O hydrogen bonds with the pyridazinone carbonyl O atom as acceptor generate chains with a C(7) motif extending parallel to the b-axis direction, in the crystal of (II) pairs of inversion-related O—H⋯O hydrogen bonds with an R22(8) ring motif between two carboxylic functions are found. The intermolecular interactions in both crystal structures were analysed using Hirshfeld surface analysis and two-dimensional fingerprint plots. Full Article text
ben Crystal structure of ethyl 2-(5-amino-1-benzenesulfonyl-3-oxo-2,3-dihydro-1H-pyrazol-2-yl)acetate By scripts.iucr.org Published On :: 2020-03-03 In the title compound, C13H15N3O5S, the two rings face each other in a `V' form at the S atom, with one N—H⋯O=S and one C—H⋯O=S contact from the pyrazolyl substituents to the sulfonyl group. Two classical hydrogen bonds from the amine group, one of the form N—H⋯O=S and one N—H⋯O=Coxo, link the molecules to form layers parallel to the bc plane. Full Article text
ben Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (S)-10-propargylpyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione By scripts.iucr.org Published On :: 2020-03-03 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. Full Article text
ben Structural investigation of methyl 3-(4-fluorobenzoyl)-7-methyl-2-phenylindolizine-1-carboxylate, an inhibitory drug towards Mycobacterium tuberculosis By scripts.iucr.org Published On :: 2020-03-20 The title compound, C24H18FNO3, crystallizes in the monoclinic centrosymmetric space group P21/n and its molecular conformation is stabilized via C—H⋯O intramolecular interactions. The supramolecular network mainly comprises C—H⋯O, C—H⋯F and C—H⋯π interactions, which contribute towards the formation of the crystal structure. The different intermolecular interactions have been further analysed via Hirshfeld surface analysis and fingerprint plots. Full Article text
ben Crystal structure of a new phenyl(morpholino)methanethione derivative: 4-[(morpholin-4-yl)carbothioyl]benzoic acid By scripts.iucr.org Published On :: 2020-03-27 4-[(Morpholin-4-yl)carbothioyl]benzoic acid, C12H13NO3S, a novel phenyl(morpholino)methanethione derivative, crystallizes in the monoclinic space group P21/n. The morpholine ring adopts a chair conformation and the carboxylic acid group is bent out slightly from the benzene ring mean plane. The molecular geometry of the carboxylic group is characterized by similar C—O bond lengths [1.266 (2) and 1.268 (2) Å] as the carboxylate H atom is disordered over two positions. This molecular arrangement leads to the formation of dimers through strong and centrosymmetric low barrier O—H⋯O hydrogen bonds between the carboxylic groups. In addition to these intermolecular interactions, the crystal packing consists of two different molecular sheets with an angle between their mean planes of 64.4 (2)°. The cohesion between the different layers is ensured by C—H⋯S and C—H⋯O interactions. Full Article text
ben Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione By scripts.iucr.org Published On :: 2020-03-27 In the fused ring system of the title compound, C32H37NO4, the central dihydropyridine ring adopts a flattened boat conformation, the mean and maximum deviations of the dihydropyridine ring being 0.1429 (2) and 0.2621 (2) Å, respectively. The two cyclohexenone rings adopt envelope conformations with the tetrasubstituted C atoms as flap atoms. The benzene and phenyl rings form dihedral angles of 85.81 (2) and 88.90 (2)°, respectively, with the mean plane of the dihydropyridine ring. In the crystal, molecules are linked via an O—H⋯O hydrogen bond, forming a helical chain along the b-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H⋯H (65.2%), O⋯H/H⋯O (18.8%) and C⋯H/H⋯C (13.9%) contacts. Quantum chemical calculations for the frontier molecular orbitals were undertake to determine the chemical reactivity of the title compound. Full Article text
ben 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 By scripts.iucr.org Published On :: 2020-04-07 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. Full Article text
ben Synthesis, crystal structure and Hirshfeld and thermal analysis of bis[benzyl 2-(heptan-4-ylidene)hydrazine-1-carboxylate-κ2N2,O]bis(thiocyanato)nickel(II) By scripts.iucr.org Published On :: 2020-04-07 The title centrosymmetric NiII complex, [Ni(NCS)2(C15H22N2O2)2], crystallizes with one half molecule in the asymmetric unit of the monoclinic unit cell. The complex adopts an octahedral coordination geometry with two mutually trans benzyl-2-(heptan-4-ylidene)hydrazine-1-carboxylate ligands in the equatorial plane with the axial positions occupied by N-bound thiocyanato ligands. The overall conformation of the molecule is also affected by two, inversion-related, intramolecular C—H⋯O hydrogen bonds. The crystal structure features N—H⋯S, C—H⋯S and C—H⋯N hydrogen bonds together with C—H⋯π contacts that stack the complexes along the b-axis direction. The packing was further explored by Hirshfeld surface analysis. The thermal properties of the complex were also investigated by simultaneous TGA–DTA analyses. Full Article text
ben Crystal structure of N'-[4-(dimethylamino)benzylidene]furan-2-carbohydrazide monohydrate By scripts.iucr.org Published On :: 2020-04-09 The condensation of 2-furoic hydrazide and 4-dimethyl aminobenzaldehyde in ethanol yielded a yellow solid formulated as the title compound, C14H15N3O2·H2O. The crystal packing is stabilized by intermolecular O(water)—H⋯O,N(carbohydrazide) and N—H⋯O(water) hydrogen bonds, which form a two-dimensional network along the bc plane. Additional C—H⋯O interactions link the molecules into a three-dimensional network. The dihedral angle between the mean planes of the benzene and the furan ring is 34.47 (6)°. The carbohydrazide moiety, i.e., the C=N—N—C=O fragment and the benzene ring are almost coplanar, with an angle of 6.75 (9)° between their mean planes. Full Article text
ben 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
ben Crystal structure and DFT computational studies of (E)-2,4-di-tert-butyl-6-{[3-(trifluoromethyl)benzyl]iminomethyl}phenol By scripts.iucr.org Published On :: 2020-04-24 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. Full Article text
ben 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
ben 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
ben 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
ben Synthesis and crystal structure of a pentacopper(II) 12-metallacrown-4: cis-diaquatetrakis(dimethylformamide-κO)manganese(II) tetrakis(μ3-N,2-dioxidobenzene-1-carboximidate)pentacopper(II) By scripts.iucr.org Published On :: 2020-04-30 The title compound, [Mn(C3H7NO)4(H2O)2][Cu5(C7H4NO3)4]·C3H7NO or cis-[Mn(H2O)2(DMF)4]{Cu[12-MCCu(II)N(shi)-4]}·DMF, where MC is metallacrown, shi3− is salicylhydroximate, and DMF is N,N-dimethylformamide, crystallizes in the monoclinic space group P21/n. Two crystallographically independent metallacrown anions are present in the structure, and both anions exhibit minor main molecule disorder by an approximate (non-crystallographic) 180° rotation with occupancy ratios of 0.9010 (9) to 0.0990 (9) for one anion and 0.9497 (8) to 0.0503 (8) for the other. Each pentacopper(II) metallacrown contains four CuII ions in the MC ring and a CuII ion captured in the central cavity. Each CuII ion is four-coordinate with a square-planar geometry. The anionic {Cu[12-MCCu(II)N(shi)-4]}2− is charged-balanced by the presence of a cis-[Mn(H2O)2(DMF)4]2+ cation located in the lattice. In addition, the octahedral MnII counter-cation is hydrogen bonded to both MC anions via the coordinated water molecules of the MnII ion. The water molecules form hydrogen bonds with the phenolate and carbonyl oxygen atoms of the shi3− ligands of the MCs. Full Article text
ben Insight into the role of pre-assembly and desolvation in crystal nucleation: a case of p-nitrobenzoic acid By scripts.iucr.org Published On :: 2019-09-18 As one of the most important phenomena in crystallization, the crystal nucleation process has always been the focus of research. In this work, influences of pre-assembly species and the desolvation process on the crystal nucleation process were studied. p-Nitrobenzoic acid (PNBA) was taken as a model compound to investigate the relationship between solution chemistry and nucleation kinetics in seven different solvents. One unsolvated form and four solvates of PNBA were obtained and one of the solvates was newly discovered. The nucleation behaviours and nucleation kinetics of PNBA in the seven solvents were studied and analyzed. Density functional theory (DFT) and solvation energy calculation were adopted to evaluate the strength of solute–solvent interactions. Vibrational spectroscopy combined with molecular simulation was applied to reveal the pre-assembly species in the solution. Based on these results, a comprehensive understanding of the relationship between molecular structure, crystal structure, solution chemistry and nucleation dynamics was proposed and discussed. It was found that the structural similarity between solution chemistry and crystal structure, the interaction between specific sites and the overall strength of solvation will jointly affect the nucleation process. Full Article text
ben 2-(2-Ethoxy-2-oxoacetamido)benzoic acid By scripts.iucr.org Published On :: 2020-05-06 The title compound, C11H11NO5, has a nearly planar geometry. In the crystal, the molecules are assembled into chains parallel to the [overline{1}11] direction by O—H...O and C—H...O hydrogen bonds. Full Article text
ben From the Bay of Bengal, a dinoflagellate makes its way to the Smithsonian By insider.si.edu Published On :: Thu, 28 Jan 2010 16:14:58 +0000 It’s not an exaggeration to say Hedrick was ecstatic when she peered into her inverted phase contrast microscope and found "Amphisolenia quadrispina" floating in her sample. “For 20 years I’ve been hoping to see something like this,” she says. The post From the Bay of Bengal, a dinoflagellate makes its way to the Smithsonian appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature new acquisitions
ben Gulf of Mexico survey will benchmark diversity of ocean floor By insider.si.edu Published On :: Tue, 08 Mar 2011 14:04:35 +0000 Funded by BP through the Florida Institute of Oceanography, the scientists will make the 10-day trip aboard the institute’s 115-foot research vessel. The divers, scientists and photographers will document hard bottoms of Florida, from the Keys to the Panhandle, to gain a better understanding of these sponge- and coral-dominated communities The post Gulf of Mexico survey will benchmark diversity of ocean floor appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature biodiversity conservation National Museum of Natural History
ben Will global warming be hell on the hellbender? Smithsonian study aims to find out. By insider.si.edu Published On :: Tue, 12 Jul 2011 15:37:07 +0000 Now, a new study of hellbenders by scientists at the Smithsonian Conservation Biology Institute will place these amphibians at the center of the conservation of Appalachian salamanders. The post Will global warming be hell on the hellbender? Smithsonian study aims to find out. appeared first on Smithsonian Insider. Full Article Animals Research News Science & Nature amphibian carbon dioxide chytrid fungus climate change conservation biology endangered species extinction Smithsonian Conservation Biology Institute Smithsonian's National Zoo
ben Heart disease study to benefit lowland gorillas at the National Zoo By insider.si.edu Published On :: Fri, 30 Mar 2012 15:03:34 +0000 The same device used to detect early warning signs of heart disease in humans will now benefit two male sub-adult gorillas at the Smithsonian’s National Zoo. The post Heart disease study to benefit lowland gorillas at the National Zoo appeared first on Smithsonian Insider. Full Article Animals Science & Nature endangered species mammals primates Smithsonian's National Zoo
ben Zoo scientists find sudden stream temperature changes boost hellbender immune systems By insider.si.edu Published On :: Tue, 10 Sep 2013 18:24:39 +0000 Hellbenders, aquatic salamanders from the eastern United States, are surprisingly good at dealing with unpredictable weather. In a recent study published in the Journal of […] The post Zoo scientists find sudden stream temperature changes boost hellbender immune systems appeared first on Smithsonian Insider. Full Article Animals Research News Science & Nature carbon dioxide climate change conservation conservation biology Smithsonian Conservation Biology Institute Smithsonian's National Zoo
ben Human health risks of eating sea turtle eggs could benefit species By insider.si.edu Published On :: Fri, 02 Sep 2016 16:33:17 +0000 According to a new study, eating sea turtle eggs increases the health risk of heavy metal exposure in local communities in Panama and may provide […] The post Human health risks of eating sea turtle eggs could benefit species appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature conservation biology endangered species extinction Tropical Research Institute
ben Climate Change May Benefit Native Oysters, but There’s a Catch By insider.si.edu Published On :: Tue, 11 Oct 2016 05:13:49 +0000 Amid efforts to restore native oyster populations on the West Coast, how are oysters expected to fare under climate change in the decades and centuries […] The post Climate Change May Benefit Native Oysters, but There’s a Catch appeared first on Smithsonian Insider. Full Article Animals Marine Science Research News Science & Nature Spotlight carbon dioxide Chesapeake Bay climate change conservation biology fishes invasive species Smithsonian Environmental Research Center
ben Ancient megalake discovered beneath Sahara Desert By insider.si.edu Published On :: Fri, 10 Dec 2010 17:29:12 +0000 Formed some 250,000 years ago when the Nile River pushed through a low channel near Wadi Tushka, it flooded the eastern Sahara, creating a lake that at its highest level covered more than 42,000 square miles. The post Ancient megalake discovered beneath Sahara Desert appeared first on Smithsonian Insider. Full Article Earth Science Research News Science & Nature climate change geology National Air and Space Museum
ben 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
ben X-ray diffraction from strongly bent crystals and spectroscopy of X-ray free-electron laser pulses By scripts.iucr.org Published On :: 2020-01-01 The use of strongly bent crystals in spectrometers for pulses of a hard X-ray free-electron laser is explored theoretically. Diffraction is calculated in both dynamical and kinematical theories. It is shown that diffraction can be treated kinematically when the bending radius is small compared with the critical radius given by the ratio of the Bragg-case extinction length for the actual reflection to the Darwin width of this reflection. As a result, the spectral resolution is limited by the crystal thickness, rather than the extinction length, and can become better than the resolution of a planar dynamically diffracting crystal. As an example, it is demonstrated that spectra of the 12 keV pulses can be resolved in the 440 reflection from a 20 µm-thick diamond crystal bent to a radius of 10 cm. Full Article text
ben Beautiful Japan: Benten Festival 1917-1918, from the Smithsonian’s Human Studies Film Archive By insider.si.edu Published On :: Thu, 29 Nov 2012 15:23:06 +0000 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. Full Article Anthropology Science & Nature Video National Museum of Natural History
ben Aaron Koblin and Ben Tricklebank-Light Echoes By insider.si.edu Published On :: Mon, 13 Jun 2016 13:41:09 +0000 This video is featured in the exhibition Beauty—Cooper Hewitt Design Triennial, on view at the museum February – August 2016. About: Aaron Koblin collaborates with […] The post Aaron Koblin and Ben Tricklebank-Light Echoes appeared first on Smithsonian Insider. Full Article Art Video Cooper Hewitt visual arts
ben 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
ben 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
ben 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
ben Opening Statements by John Benson and Stanley Watson on Marijuana and Medicine - Assessing the Science Base By feedproxy.google.com Published On :: Wed, 17 Mar 1999 06:00:00 GMT Good morning and welcome. There has been unprecedented interest in recent years about whether marijuana or its constituent compounds should be used as medicine. Since 1996, voters in seven states have approved the medical use of marijuana. Full Article
ben Genetically Engineered Crops Benefit Many Farmers, but the Technology Needs Proper Management to Remain Effective By feedproxy.google.com Published On :: Tue, 13 Apr 2010 05:00:00 GMT Many U.S. farmers who grow genetically engineered (GE) crops are realizing substantial economic and environmental benefits -- such as lower production costs, fewer pest problems, reduced use of pesticides, and better yields -- compared with conventional crops, says a new report from the National Research Council. Full Article
ben Increase in the Number of Children Who Receive Federal Disability Benefits for Speech and Language Disorders Similar to Trends in the General Population, Says New Report By feedproxy.google.com Published On :: Tue, 26 Jan 2016 06:00:00 GMT The increase in the number of children from low-income families who are receiving federal disability benefits for speech and language disorders over the past decade parallels the rise in the prevalence of these disorders among all U.S. children, says a new report by the National Academies of Sciences, Engineering, and Medicine. Full Article
ben New Report Informs Social Security’s Process for Determining Whether Beneficiaries Are Capable of Managing Their Benefits By feedproxy.google.com Published On :: Wed, 09 Mar 2016 06:00:00 GMT The best indicator of whether a disabled adult who receives Social Security benefits is capable of managing his or her benefits is evidence of real-world performance of meeting his or her own basic needs, rather than an office-based assessment of financial competence, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
ben Longer-Term Weather and Environmental Forecasts Will Provide Enormous Benefit with More Research and Sustained Investment, New Report Says By feedproxy.google.com Published On :: Tue, 29 Mar 2016 05:00:00 GMT Weather and environmental forecasts made several weeks to months in advance can someday be as widely used and essential as current predictions of tomorrow’s weather are, but first more research and sustained investment are needed, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
ben To Benefit From its Investments in Fusion Energy, U.S. Should Remain in ITER and Initiate a National Program of Burning Plasma Research and Technology By feedproxy.google.com Published On :: Thu, 13 Dec 2018 06:00:00 GMT Along with participation in the International Thermonuclear Experimental Reactor (ITER) project – a large, international burning plasma experiment – the U.S. Department of Energy (DOE) should start a national program of accompanying research and technology to build a compact pilot plant that produces electricity from fusion at the lowest possible capital cost, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
ben Wil Wheaton and other Star Trek alumni perform in 'War of the Worlds' benefit By feeds.scpr.org Published On :: Wed, 14 Jan 2015 05:30:14 -0800 John RabeThere are still a couple dozen tickets left for one of the most interestingly-cast performances of H.G. Wells, Orson Welles and Howard Koch's "War of the Worlds." On Saturday, Jan. 17, generations of Star Trek actors will take on the world's most famous radio show. The cast — directed by Jim Fall — features: René Auberjonois (“Star Trek: Deep Space Nine”), Michael Dorn (“Star Trek: TNG”), Dean Haglund (“The X-Files”), Walter Koenig ("Star Trek"), Linda Park ("Star Trek: Enterprise"), Jason Ritter (“The Event”), Tim Russ (“Star Trek: Voyager”), Armin Shimerman (“Star Trek: Deep Space Nine”) and Wil Wheaton, playing... Orson Welles. The performance is a fundraiser for Sci-Fest LA, the new annual science fiction play festival, so tickets aren't cheap — but they're scarce, and this looks like a memorable night. KPCC and "Off-Ramp" celebrated the 75th anniversary of the broadcast last year by distributing the original 1938 performance, and a new documentary, internationally... introduced by George Takei, another original Trek actor you might have heard of. War of the Worlds: Sat., Jan. 17, 8 PM; The Acme Theatre, 135 North La Brea Ave. LA CA 90036 This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ben Why unions lead the $15 minimum wage fight, though few members will benefit By feeds.scpr.org Published On :: Thu, 29 Jan 2015 05:30:46 -0800 “Union members and non-union members have a strong interest in seeing our economy grow," said Rusty Hicks, the new head of the Los Angeles County Federation of Labor, which represents over 300 unions.; Credit: Ben Bergman/KPCC Ben BergmanLabor unions have led the fight to raise the minimum wage in several American cities, including Los Angeles, where the City Council is considering two proposals right now that would give raises to hundreds of thousands of workers (to $13.25 an hour by 2017 and $15.25 an hour by 2019). But few of the unions' members have benefited directly from the initiatives. So why do unions care about a $15 wage for non-union workers? It’s part of a long-term strategy to protect the interests of their members, labor leaders say. They also see an opportunity to raise the profile of unions after years of falling membership. "We can’t be the movement that’s just about us," said David Rolf, an international vice-president of SEIU, who led the first successful $15 minimum wage campaign in SeaTac, the town in Washington that is home to the region's similarly named airport. “We have to be the movement that’s about justice for all," Rolf added. "The labor movement that people flocked to by the tens of millions in the 1930s wasn’t known for fighting for 500-page contracts. They were known for fighting for the eight-hour day, fighting to end child labor.” The idea that workers should earn $15 dollars an hour first came to the public’s attention during a series of fast food strikes that started in New York City in late 2012. Those workers didn’t just walk off the job by themselves. They were part of a campaign organized by unions, led by SEIU, which is made up mostly of public sector and health care workers. $10 million fast-food strikes The Service Employees International Union spent $10 million dollars on the fast food strikes, according to The New York Times. But none of those restaurants have unionized, and because it’s been so hard to form private sector union these days, they probably never will, said labor historian Nelson Lichtenstein. “In effect what you have now is the SEIU – its hospital membership or its members working at the Department of Motor Vehicles – helping to raise the wages of fast food workers, but not their own wages,” Lichtenstein said. That's because unionized workers earn far more than the current or proposed new minimum wages, in L.A. an average of more than $27 an hour, according to UCLA's Center for Research on Employment and Labor. The spread of the $15 minimum wage from SeaTac to Seattle to San Francisco — and now possibly Los Angeles — is a huge victory for labor unions, but it’s unlikely most of the people getting raises will ever be part of organized labor. Still, the rank and file seem to support their unions' efforts. “I personally support using our organization as a way to advocate for those who don’t have a voice," said Rafael Sanchez III, a teacher's assistant at Bell High School who's a member of SEIU Local 99. A challenging time for the labor movement In the 1950’s, about one in three American workers belonged to a union. Last year, just 11 percent did – or 6 percent of private sector workers – the lowest numbers in nearly a century. Rolf says the minimum wage campaigns mark a change in tactics for organized labor; Rather than the shop floor, the focus is on the ballot box and city hall. “Since at least the 1980s, winning unions in the private sector has been a Herculean task," Rolf said. "The political process provides an alternative vehicle.” And an increasingly successful one. It was voters who approved the first $15 wage, in Washington state in 2013, and another one in San Francisco last year. In Los Angeles, the issue is before the city council. Mayor Eric Garcetti opened the bidding, proposing a raise of $13.25 on Labor Day before six council members countered with $15.25. The Los Angeles County Federation of Labor – lead by Rusty Hicks — is pushing for the higher option. “Union members and non-union members have an interest in seeing our economy grow," said Hicks. "You can’t continue to have a strong, vibrant economy if in fact folks don’t have money in their pockets.” Other benefits for unions: A safety net and a higher floor Some union members see a higher minimum wage as a safety net. Robert Matsuda is a studio violinist represented by the American Federation of Musicians, part of the AFL-CIO. Even though he’s not working for the minimum wage now, he worries that may not last: He’s getting fewer and fewer gigs as more film and TV scoring is outsourced overseas. “I might have to take a minimum wage job in the near future, so it might directly affect me,” said Matsuda. There’s also a more tangible benefit for unions, says Nelson Lichtenstein, the labor historian: A higher minimum wage means a higher wage floor to negotiate with in future contracts. “It’s one labor market, and if you can raise the wages in those sectors that have been pulling down the general wage level – i.e: fast food and retail – then it makes it easier for unions to create a higher standard and go on and get more stuff,” said Lichtenstein. On Friday morning, union members will rally in front of Los Angeles City Hall, calling on the council to enact a $15.25 an hour minimum wage as soon as possible. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
ben Which benthic ecosystem assessment tool is best? By ec.europa.eu Published On :: Mon, 20 Jun 2011 16:12:34 +0100 Populations of organisms that live on the bottom of an aquatic ecosystem, the benthic community, can be assessed to determine the health of the ecosystem. New research explores the many existing methods for assessing benthic communities to ensure that the most appropriate and useful tests are used under the Water Framework Directive (WFD). Full Article
ben Organic farmland benefits biodiversity over the long term By ec.europa.eu Published On :: Thu, 20 Mar 2014 9:23:19 GMT Biodiversity on organic farms is, on average, 34% higher than on conventional farms, according to a recent study. The researchers used data from a large number of studies to show that this figure has remained stable over the last 30 years. Full Article
ben Food waste: prevention in the service sector would have major environmental benefits By ec.europa.eu Published On :: Thur, 16 Apr 2020 12:32:30 GMT Approximately 88 megatonnes (Mt) of food are wasted every year in the European Union, causing 186 metric tons (Mt) carbon dioxide equivalent (CO2-eq) — a universal measure for all greenhouse gases. The impact of food waste on the climate, acidification and eutrophication is around 15–16% of the environmental impact of the entire food chain. In developed countries, food waste is high at the point of consumption— so significantly reducing food losses would require a food-waste reduction in households and the food-services sector. Full Article
ben The benefits of greening the supply chain policy By ec.europa.eu Published On :: Thu, 1 Jul 2010 12:48:14 +0100 Green supply chain management (GSCM) is a holistic approach to improving environmental performance along the supply chain. A new study by Italian researchers on over 4000 manufacturing facilities in seven developed countries has indicated that GSCM increases environmental performance. Full Article