cte Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one By journals.iucr.org Published On :: 2023-11-14 The title compound, C5H5NO2, is a hydroxylated pyridine ring that has been studied for its involvement in microbial degradation of nicotinic acid. Here we describe its synthesis as a formic acid salt, rather than the standard hydrochloride salt that is commercially available, and its spectroscopic and crystallographic characterization. Full Article text
cte Crystal structure and antimycobacterial evaluation of 2-(cyclohexylmethyl)-7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-one By journals.iucr.org Published On :: 2023-11-30 The title compound, C15H15F3N2O3S, crystallizes in the monoclinic system, space group I2/a, with Z = 8. As expected, the nine-membered heterobicyclic system is virtually planar and the cyclohexyl group adopts a chair conformation. There is structural evidence for intramolecular N—S⋯O chalcogen bonding between the benzisothiazolinone S atom and one O atom of the nitro group, approximately aligned along the extension of the covalent N—S bond [N—S⋯O = 162.7 (1)°]. In the crystal, the molecules form centrosymmetric dimers through C—H⋯O weak hydrogen bonding between a C—H group of the electron-deficient benzene ring and the benzothiazolinone carbonyl O atom with an R22(10) motif. In contrast to the previously described N-acyl 7-nitro-5-(trifluoromethyl)benzo[d]isothiazol-3(2H)-ones, the title N-cyclohexylmethyl analogue does not inhibit growth of Mycobacterium aurum and Mycobacterium smegmatis in vitro. Full Article text
cte New copper carboxylate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization By journals.iucr.org Published On :: 2024-01-01 Two new copper dimers, namely, bis(dimethyl sulfoxide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu), [Cu2(C17H9O2)4(C2H6OS)2] or [Cu2(pyr-COO−)4(DMSO)2] (1), and bis(dimethylformamide)tetrakis(μ-pyrene-1-carboxylato)dicopper(Cu—Cu), [Cu2(C17H9O2)4(C3H7NO)2] or [Cu2(pyr-COO−)4(DMF)2] (2) (pyr = pyrene), were synthesized from the reaction of pyrene-1-carboxylic acid, copper(II) nitrate and triethylamine from solvents DMSO and DMF, respectively. While 1 crystallized in the space group Poverline{1}, the crystal structure of 2 is in space group P21/n. The Cu atoms have octahedral geometries, with four oxygen atoms from carboxylate pyrene ligands occupying the equatorial positions, a solvent molecule coordinating at one of the axial positions, and a Cu⋯Cu contact in the opposite position. The packing in the crystal structures exhibits π–π stacking interactions and short contacts through the solvent molecules. The Hirshfeld surfaces and two-dimensional fingerprint plots were generated for both compounds to better understand the intermolecular interactions and the contribution of heteroatoms from the solvent ligands to the crystal packing. In addition, a Cu2+/Cu1+ quasi-reversible redox process was identified for compound 2 using cyclic voltammetry that accounts for a diffusion-controlled electron-donation process to the Cu dimer. Full Article text
cte An unexpected tautomer: synthesis and crystal structure of N-[6-amino-4-(methylsulfanyl)-1,2-dihydro-1,3,5-triazin-2-ylidene]benzenesulfonamide By journals.iucr.org Published On :: 2024-01-09 The title compound, C10H11N5O2S2, consists of an unexpected tautomer with a protonated nitrogen atom in the triazine ring and a formal exocyclic double bond C=N to the sulfonamide moiety. The ring angles at the unsubstituted nitrogen atoms are narrow, at 115.57 (12) and 115.19 (12)°, respectively, whereas the angle at the carbon atom between these N atoms is very wide, 127.97 (13)°. The interplanar angle between the two rings is 79.56 (5)°. The molecules are linked by three classical hydrogen bonds, forming a ribbon structure. There are also unusual linkages involving three short contacts (< 3 Å) from a sulfonamide oxygen atom to the C—NH—C part of a triazine ring. Full Article text
cte Crystal structure and characterization of a new lanthanide coordination polymer, [Pr2(pydc)(phth)2(H2O)3]·H2O By journals.iucr.org Published On :: 2024-01-31 A new lanthanide coordination polymer, poly[[triaquabis(μ4-phthalato)(μ3-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate], {[Pr2(C7H3NO4)2(C8H4O4)(H2O)3]·H2O}n or {[Pr2(phth)2(pydc)(H2O)3]·H2O}n, (pydc2− = pyridine-2,5-dicarboxylate and phth2− = phthalate) was synthesized and characterized, revealing the structure to be an assembly of di-periodic {Pr2(pydc)(phth)2(H2O)3}n layers. Each layer is built up by edge-sharing {Pr2N2O14} and {Pr2O16} dimers, which are connected through a new coordination mode of pydc2− and phth2−. These layers are stabilized by internal hydrogen bonds and π–π interactions. In addition, a three-dimensional supramolecular framework is built by interlayer hydrogen-bonding interactions involving the non-coordinated water molecule. Thermogravimetric analysis shows that the title compound is thermally stable up to 400°C. Full Article text
cte Structural characterization of a new samarium–sodium heterometallic coordination polymer By journals.iucr.org Published On :: 2024-02-06 Lanthanide-containing materials are of interest in the field of crystal engineering because of their unique properties and distinct structure types. In this context, a new samarium–sodium heterometallic coordination polymer, poly[tetrakis(μ2-2-formyl-6-methoxyphenolato)samarium(III)sodium(I)], {[SmNa(C8H7O3)4]·solvent}n (Sm-1), was synthesized and crystallized via slow evaporation from a mixture of ethanol and acetonitrile. The compound features alternating SmIII and NaI ions, which are linked by ortho-vanillin (o-vanillin) ligands to form a mono-periodic chain-like coordination polymer. The chains propagate along the [001] direction. Residual electron density of disordered solvent molecules in the void space could not be reasonably modeled, thus the SQUEEZE function was applied. The structural, vibrational, and optical properties are reported. Full Article text
cte Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexa By journals.iucr.org Published On :: 2024-02-20 Two compounds, (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate, C27H46N3O4SSi+·CF3O3S−, (1) and (S)-8-(iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide, C15H21IN3O2S+·I−, (2), have been synthesized and characterized. They are bicyclic guanidinium salts and were synthesized from N-(tert-butoxycarbonyl)-l-methionine (Boc-l-Met-OH). The guanidine is protected by a 2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl (Pbf, 1) or a tosyl (2) group. In the crystals of both compounds, the guanidinium group is almost planar and the N–H forms an intramolecular hydrogen bond in a six-membered ring to the oxygen atom of the sulfonamide protecting group. Full Article text
cte Syntheses, characterizations, crystal structures and Hirshfeld surface analyses of methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, isopropyl 4-[4-(difluoro& By journals.iucr.org Published On :: 2024-02-08 The crystal structures and Hirshfeld surface analyses of three similar compounds are reported. Methyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C21H23F2NO4), (I), crystallizes in the monoclinic space group C2/c with Z = 8, while isopropyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C23H27F2NO4), (II) and tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, (C24H29F2NO4), (III) crystallize in the orthorhombic space group Pbca with Z = 8. In the crystal structure of (I), molecules are linked by N—H⋯O and C—H⋯O interactions, forming a tri-periodic network, while molecules of (II) and (III) are linked by N—H⋯O, C—H⋯F and C—H⋯π interactions, forming layers parallel to (002). The cohesion of the molecular packing is ensured by van der Waals forces between these layers. In (I), the atoms of the 4-difluoromethoxyphenyl group are disordered over two sets of sites in a 0.647 (3): 0.353 (3) ratio. In (III), the atoms of the dimethyl group attached to the cyclohexane ring, and the two carbon atoms of the cyclohexane ring are disordered over two sets of sites in a 0.646 (3):0.354 (3) ratio. Full Article text
cte Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-aminobenzoic acid ligand By journals.iucr.org Published On :: 2024-02-20 A CuII coordination polymer, catena-poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ2N:O;κ2O:N] monohydrate], {[Cu(pABA)2(H2O)]·H2O}n (pABA = p-aminobenzoate, C7H4NO2−), was synthesized and characterized. It exhibits a one-dimensional chain structure extended into a three-dimensional supramolecular assembly through hydrogen bonds and π–π interactions. While the twinned crystal shows a metrically orthorhombic lattice and an apparent space group Pbcm, the true symmetry is monoclinic (space group P2/c), with disordered Cu atoms and mixed roles of water molecules (aqua ligand/crystallization water). The luminescence spectrum of the complex shows an emission at 345 nm, cf. 349 nm for pABAH. Full Article text
cte Synthesis, characterization, and crystal structure of 2-(2-azidophenyl)-3-oxo-3H-indole 1-oxide By journals.iucr.org Published On :: 2024-02-20 An attempt to explore the reactivity of the nitro group in the presence of gold catalysis in comparison to the azide group yielded intriguing results. Surprisingly, only the nitro group exhibited reactivity, ultimately giving rise to the formation of the title isatogen, C14H8N4O2. In the crystal structure, weak C—H⋯O hydrogen bonds and π–π stacking interactions link the molecules. The structure exhibits disorder of the molecule. Full Article text
cte Synthesis, characterization and supramolecular analysis for (E)-3-(pyridin-4-yl)acrylic acid By journals.iucr.org Published On :: 2024-03-26 The title compound, C8H7NO2, crystallizes as prismatic colourless crystals in space group Poverline{1}, with one molecule in the asymmetric unit. The pyridine ring is fused to acrylic acid, forming an almost planar structure with an E-configuration about the double bond with a torsion angle of −6.1 (2)°. In the crystal, strong O—H⋯N interactions link the molecules, forming chains along the [101] direction. Weak C—H⋯O interactions link adjacent chains along the [100] direction, generating an R22(14) homosynthon. Finally, π–π stacking interactions lead to the formation of the three-dimensional structure. The supramolecular analysis was supported by Hirshfeld surface and two-dimensional fingerprint plot analysis, indicating that the most abundant contacts are associated with H⋯H, O⋯H/H⋯O, N⋯H/H⋯N and C⋯H/H⋯C interactions. Full Article text
cte Crystal structure characterization, Hirshfeld surface analysis, and DFT calculation studies of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone By journals.iucr.org Published On :: 2024-05-03 The title compound, C12H10N2O3, was obtained by the deacetylation reaction of 1-(6-amino-5-nitronaphthalen-2-yl)ethanone in a concentrated sulfuric acid methanol solution. The molecule comprises a naphthalene ring system bearing an acetyl group (C-3), an amino group (C-7), and a nitro group (C-8). In the crystal, the molecules are assembled into a two-dimensional network by N⋯H/H⋯N and O⋯H/H⋯O hydrogen-bonding interactions. n–π and π–π stacking interactions are the dominant interactions in the three-dimensional crystal packing. Hirshfeld surface analysis indicates that the most important contributions are from O⋯H/H⋯O (34.9%), H⋯H (33.7%), and C⋯H/H⋯C (11.0%) contacts. The energies of the frontier molecular orbitals were computed using density functional theory (DFT) calculations at the B3LYP-D3BJ/def2-TZVP level of theory and the LUMO–HOMO energy gap of the molecule is 3.765 eV. Full Article text
cte Structural characterization and comparative analysis of polymorphic forms of psilocin (4-hydroxy-N,N-dimethyltryptamine) By journals.iucr.org Published On :: 2024-05-14 The title compound, C12H16N2O, is a hydroxy-substituted monoamine alkaloid, and the primary metabolite of the naturally occurring psychedelic compound psilocybin. Crystalline forms of psilocin are known, but their characterization by single-crystal structure analysis is limited. Herein, two anhydrous polymorphic forms (I and II) of psilocin are described. The crystal structure of polymorphic Form I, in space group P21/c, was first reported in 1974. Along with the redetermination to modern standards and unambiguous location of the acidic H atom and variable-temperature single-crystal unit-cell determinations for Form I, the Form II polymorph of the title compound, which crystallizes in the monoclinic space group P21/n, is described for the first time. The psilocin molecules are present in both forms in their phenol–amine tautomeric forms (not resolved in the 1974 report). The molecules in Forms I and II, however, feature different conformations of their N,N-dimethyl ethylene substituent, with the N—C—C—C link in Form I being trans and in Form II being gauche, allowing the latter to bend back to the hydroxyl group of the same molecule, leading to the formation of a strong intramolecular O—H⋯N hydrogen bond between the hydroxyl moiety and ethylamino-nitrogen group. In the extended structure of Form II, the molecules form one-dimensional strands through N—H⋯O hydrogen bonds from the indole group to the oxygen atom of the hydroxyl moiety of an adjacent molecule. Form II exhibits whole-molecule disorder due to a pseudo-mirror operation, with an occupancy ratio of 0.689 (5):0.311 (5) for the two components. In contrast, Form I does not feature intramolecular hydrogen bonds but forms a layered structure through intermolecular N—H⋯O and O—H⋯N hydrogen bonds. Full Article text
cte Synthesis and crystal structure of 2,9-diamino-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene By journals.iucr.org Published On :: 2024-05-21 The cis- form of diaminodibenzocyclooctane (DADBCO, C16H18N2) is of interest as a negative coefficient of thermal expansion (CTE) material. The crystal structure was determined through single-crystal X-ray diffraction at 100 K and is presented herein. Full Article text
cte Synthesis and structural characterization of a hydrated sodium–caesium tetracosatungstate(VI), Na5Cs19[W24O84]·21H2O By journals.iucr.org Published On :: 2024-05-31 Crystal formation of pentasodium nonadecacesium tetracosatungstate(VI) heneikosahydrate, Na5Cs19[W24O84]·21H2O, was successfully achieved by the conversion of [H2W12O42]10− through the addition of excess Cs+. The crystal structure comprising the toroidal isopolyoxidometalate is presented, as well as its Raman spectrum. Na5Cs19(H2O)21W24O84 crystallizes in the rhombohedral space group Roverline{3} with an obverse centering. The title compound represents the addition of a new member to the isopolytungstate family with mixed alkali counter-ions and contains rarely observed five-coordinate tungsten(VI) atoms in the [W24O84]24− anion (site symmetry C3i) arising from the conversion mediated by Cs+ counter-ions. Full Article text
cte Structural characterization of the supramolecular complex between a tetraquinoxaline-based cavitand and benzonitrile By journals.iucr.org Published On :: 2024-05-31 The structural characterization is reported of the supramolecular complex between the tetraquinoxaline-based cavitand 2,8,14,20-tetrahexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline-2,3-diyl)calix[4]resorcinarene (QxCav) with benzonitrile. The complex, of general formula C84H80N8O8·2C7H5N, crystallizes in the space group Poverline{1} with two independent molecules in the asymmetric unit, displaying very similar geometrical parameters. For each complex, one of the benzonitrile molecules is engulfed inside the cavity, while the other is located among the alkyl legs at the lower rim. The host and the guests mainly interact through weak C—H⋯π, C—H⋯N and dispersion interactions. These interactions help to consolidate the formation of supramolecular chains running along the crystallographic b-axis direction. Full Article text
cte Synthesis, characterization, and crystal structure of hexakis(1-methyl-1H-imidazole-κN3)zinc(II) dinitrate By journals.iucr.org Published On :: 2024-09-24 The synthesis of the title compound, [Zn(C4H6N2)6](NO3)2, is described. This complex consists of a central zinc metal ion surrounded by six 1-methylimidazole ligands, charge balanced by two nitrate anions. The complex crystallizes in the space group Poverline{3}. In the crystal, the nitrate ions are situated within the cavities created by the [Zn(N-Melm)6]2+ cations, serving as counter-ions. The three oxygen atoms of the nitrate ion engage in weak C—H⋯O interactions. In addition to single-crystal X-ray diffraction analysis, the complex was characterized using elemental analysis, 1H NMR, 13C NMR, and FTIR spectroscopy. Full Article text
cte (U)SAXS characterization of porous microstructure of chert: insights into organic matter preservation By journals.iucr.org Published On :: 2023-11-15 This study characterizes the microstructure and mineralogy of 132 (ODP sample), 1000 and 1880 million-year-old chert samples. By using ultra-small-angle X-ray scattering (USAXS), wide-angle X-ray scattering and other techniques, the preservation of organic matter (OM) in these samples is studied. The scarce microstructural data reported on chert contrast with many studies addressing porosity evolution in other sedimentary rocks. The aim of this work is to solve the distribution of OM and silica in chert by characterizing samples before and after combustion to pinpoint the OM distribution inside the porous silica matrix. The samples are predominantly composed of alpha quartz and show increasing crystallite sizes up to 33 ± 5 nm (1σ standard deviation or SD). In older samples, low water abundances (∼0.03%) suggest progressive dehydration. (U)SAXS data reveal a porous matrix that evolves over geological time, including, from younger to older samples, (1) a decreasing pore volume down to 1%, (2) greater pore sizes hosting OM, (3) decreasing specific surface area values from younger (9.3 ± 0.1 m2 g−1) to older samples (0.63 ± 0.07 m2 g−1, 1σ SD) and (4) a lower background intensity correlated to decreasing hydrogen abundances. The pore-volume distributions (PVDs) show that pores ranging from 4 to 100 nm accumulate the greater volume fraction of OM. Raman data show aromatic organic clusters up to 20 nm in older samples. Raman and PVD data suggest that OM is located mostly in mesopores. Observed structural changes, silica–OM interactions and the hydrophobicity of the OM could explain the OM preservation in chert. Full Article text
cte From solution to structure: empowering inclusive cryo-EM with a pre-characterization pipeline for biological samples By journals.iucr.org Published On :: 2024-03-26 In addressing the challenges faced by laboratories and universities with limited (or no) cryo-electron microscopy (cryo-EM) infrastructure, the ESRF, in collaboration with the Grenoble Institute for Structural Biology (IBS), has implemented the cryo-EM Solution-to-Structure (SOS) pipeline. This inclusive process, spanning grid preparation to high-resolution data collection, covers single-particle analysis and cryo-electron tomography (cryo-ET). Accessible through a rolling access route, proposals undergo scientific merit and technical feasibility evaluations. Stringent feasibility criteria demand robust evidence of sample homogeneity. Two distinct entry points are offered: users can either submit purified protein samples for comprehensive processing or initiate the pipeline with already vitrified cryo-EM grids. The SOS pipeline integrates negative stain imaging (exclusive to protein samples) as a first quality step, followed by cryo-EM grid preparation, grid screening and preliminary data collection for single-particle analysis, or only the first two steps for cryo-ET. In both cases, if the screening steps are successfully completed, high-resolution data collection will be carried out using a Titan Krios microscope equipped with a latest-generation direct electron counting detector coupled to an energy filter. The SOS pipeline thus emerges as a comprehensive and efficient solution, further democratizing access to cryo-EM research. Full Article text
cte X-ray standing wave characterization of the strong metal–support interaction in Co/TiOx model catalysts By journals.iucr.org Published On :: 2024-03-31 The strong metal–support interaction (SMSI) is a phenomenon observed in supported metal catalyst systems in which reducible metal oxide supports can form overlayers over the surface of active metal nanoparticles (NPs) under a hydrogen (H2) environment at elevated temperatures. SMSI has been shown to affect catalyst performance in many reactions by changing the type and number of active sites on the catalyst surface. Laboratory methods for the analysis of SMSI at the nanoparticle-ensemble level are lacking and mostly based on indirect evidence, such as gas chemisorption. Here, we demonstrate the possibility to detect and characterize SMSIs in Co/TiOx model catalysts using the laboratory X-ray standing wave (XSW) technique for a large ensemble of NPs at the bulk scale. We designed a thermally stable MoNx/SiNx periodic multilayer to retain XSW generation after reduction with H2 gas at 600°C. The model catalyst system was synthesized here by deposition of a thin TiOx layer on top of the periodic multilayer, followed by Co NP deposition via spare ablation. A partial encapsulation of Co NPs by TiOx was identified by analyzing the change in Ti atomic distribution. This novel methodological approach can be extended to observe surface restructuring of model catalysts in situ at high temperature (up to 1000°C) and pressure (≤3 mbar), and can also be relevant for fundamental studies in the thermal stability of membranes, as well as metallurgy. Full Article text
cte Patching-based deep-learning model for the inpainting of Bragg coherent diffraction patterns affected by detector gaps By journals.iucr.org Published On :: 2024-06-18 A deep-learning algorithm is proposed for the inpainting of Bragg coherent diffraction imaging (BCDI) patterns affected by detector gaps. These regions of missing intensity can compromise the accuracy of reconstruction algorithms, inducing artefacts in the final result. It is thus desirable to restore the intensity in these regions in order to ensure more reliable reconstructions. The key aspect of the method lies in the choice of training the neural network with cropped sections of diffraction data and subsequently patching the predictions generated by the model along the gap, thus completing the full diffraction peak. This approach enables access to a greater amount of experimental data for training and offers the ability to average overlapping sections during patching. As a result, it produces robust and dependable predictions for experimental data arrays of any size. It is shown that the method is able to remove gap-induced artefacts on the reconstructed objects for both simulated and experimental data, which becomes essential in the case of high-resolution BCDI experiments. Full Article text
cte A simple protocol for determining the zone axis direction from selected-area electron diffraction spot patterns of cubic materials By journals.iucr.org Published On :: 2024-06-18 Using the well known Rn ratio method, a protocol has been elaborated for determining the lattice direction for the 15 most common cubic zone axis spot patterns. The method makes use of the lengths of the three shortest reciprocal-lattice vectors in each pattern and the angles between them. No prior pattern calibration is required for the method to work, as the Rn ratio method is based entirely on geometric relationships. In the first step the pattern is assigned to one of three possible pattern types according to the angles that are measured between the three reciprocal-lattice vectors. The lattice direction [uvw] and possible Bravais type(s) and Laue indices of the corresponding reflections can then be determined by using lookup tables. In addition to determining the lattice direction, this simple geometric analysis allows one to distinguish between the P, I and F Bravais lattices for spot patterns aligned along [013], [112], [114] and [233]. Moreover, the F lattice can always be uniquely identified from the [011] and [123] patterns. Full Article text
cte Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction By journals.iucr.org Published On :: 2024-10-01 Using a 5 µm-diameter X-ray beam, we collected scanning X-ray microdiffraction in both the small-angle (SAXS) and the wide-angle (WAXS) regimes from thin sections of fixed human brain tissue from Alzheimer's subjects. The intensity of scattering in the SAXS regime of these patterns exhibits essentially no correlation with the observed intensity in the WAXS regime, indicating that the structures responsible for these two portions of the diffraction patterns, which reflect different length scales, are distinct. SAXS scattering exhibits a power-law behavior in which the log of intensity decreases linearly with the log of the scattering angle. The slope of the log–log curve is roughly proportional to the intensity in the SAXS regime and, surprisingly, inversely proportional to the intensity in the WAXS regime. We interpret these observations as being due to the presence of sub-micrometre-sized voids formed during dehydration of the fixed tissue. The SAXS intensity is due largely to scattering from these voids, while the WAXS intensity derives from the secondary structures of macromolecular material surrounding the voids. The ability to detect and map the presence of voids within thin sections of fixed tissue has the potential to provide novel information on the degradation of human brain tissue in neurodegenerative diseases. Full Article text
cte Genetic redundancy aids competition among symbiotic bacteria in squid By news.science360.gov Published On :: 2019-08-28T07:00:00Z Full Text:The molecular mechanism used by many bacteria to kill neighboring cells has redundancy built into its genetic makeup, which could allow for the mechanism to be expressed in different environments, say researchers at Penn State and the University of Wisconsin-Madison. Their new study provides insights into the molecular mechanisms of competition among bacteria. "Many organisms, including humans, acquire bacteria from their environment," said Tim Miyashiro, a biochemist and molecular biologist at Penn State and the leader of the research team. "These bacteria can contribute to functions within the host organism, like how our gut bacteria help us digest food. We're interested in the interactions among bacteria cells, and between bacteria and their hosts, to better understand these mutually beneficial symbiotic relationships." Cells of the bioluminescent bacteria Vibrio fisheri take up residence in the light organ of newly hatched bobtail squid. At night, the bacteria produce a blue glow that researchers believe obscures a squid's silhouette and helps protect it from predators. The light organ has pockets, or crypts, in the squid's skin that provide nutrients and a safe environment for the bacteria. "When the squid hatches, it doesn't yet have any bacteria in its light organ," said Miyashiro. "But bacteria in the environment quickly colonize the squid's light organ." Some of these different bacteria strains can coexist, but others can't. "Microbial symbioses are essentially universal in animals, and are crucial to the health and development of both partners," says Irwin Forseth, a program director in the National Science Foundation's Division of Integrative Organismal Systems, which funded the research. "The results from this study highlight the role small genetic changes can play in microbe interactions. Increased understanding will allow us to better predict organisms' performance in changing environments."Image credit: Andrew Cecere Full Article
cte COVID-19 AMA: LA County’s New COVID-19 Cases Have Doubled, Vaccinated People Who Got Infected Carry Less Virus, CDC Researchers Say And More By www.scpr.org Published On :: Thu, 01 Jul 2021 09:19:33 -0700 Facemasks remain worn as firefighter paramedic Jorge Miranda, holding syringe, speaks with Eduardo Vasquez, who has lived homeless on the streets of Los Angeles since 1992, before administering the one-shot Johnson and Johnson' Janssen Covid-19 vaccine as part of outreach to the homeless by members of the Los Angeles Fire Department's Covid Outreach unit on June 14, 2021 in Los Angeles.; Credit: FREDERIC J. BROWN/AFP via Getty Images James Chow | AirTalkIn our continuing series looking at the latest medical research and news on COVID-19, Larry Mantle speaks with UCSF’s Dr. Peter Chin-Hong. Topics today include: Two weeks after reopening, LA County’s new COVID-19 cases have doubled CDC: Infected vaccinated people carry less COVID-19 virus Delta variant is now detected in all 50 states J&J: “At present, there is no evidence to suggest need for a booster dose to be administered” Novavax claims vaccine’s overall efficacy is 89.7% Another respiratory virus is spreading in the U.S. Curevac’s final trial show shot is far less effective than other vaccines Can we now live with the coronavirus? Israel scrambles to curb rising COVID-19 infection rates Is it time to rethink “one-size-fits-all” approach for masking? Guest: Peter Chin-Hong, M.D., infectious disease specialist and professor of medicine at the UCSF Medical Center; he tweets @PCH_SF This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
cte Works By Thomas Edison, Kermit The Frog Inducted Into Library Of Congress By www.scpr.org Published On :: Wed, 24 Mar 2021 03:40:09 -0700 From left, jazz musician Louis Armstrong in Rome in 1968, Janet Jackson at the Essence Festival in New Orleans in 2018, and Nas at the Essence Festival in 2019. Works by each of these musicians are among 25 recordings being inducted to the National Recording Registry.; Credit: /AP Jaclyn Diaz | NPRWhat do Janet Jackson, Ira Glass, Kermit the Frog, Nas and Louis Armstrong have in common? These musicians, interviewers, and frogs are behind songs and other recordings to be inducted into the Library of Congress's National Recording Registry on Wednesday. The Library of Congress announced the 25 titles picked this year are considered "audio treasures worthy of preservation" based on their cultural, historical, or aesthetic importance to the nation's heritage. Janet Jackson's album "Rhythm Nation 1814;" Louis Armstrong's performance of "When the Saints Go Marching In;" Patti Labelle's song "Lady Marmalade;" Nas' record "Illmatic," Kool & the Gang's "Celebration;" and Kermit the Frog's "The Rainbow Connection" are now part of the collection of more than 550 other titles. "The National Recording Registry will preserve our history through these vibrant recordings of music and voices that have reflected our humanity and shaped our culture from the past 143 years," Librarian of Congress Carla Hayden said in a statement Wednesday. The recordings, stretching from 1878 to 2008, were chosen out of 900 nominations from the public, Hayden said. "This American Life" is the first podcast to join the registry. The 2008 episode co-produced with NPR News telling the story of the subprime mortgage crisis will be added to the collection. "When we put this out as a podcast, turning a radio show into a podcast, we did literally nothing to accommodate it," host Ira Glass said in a statement shared by the Library of Congress. "And my theory is that podcasting is most powerful for the same reason that radio is the most powerful. That is, when you have a medium where you're not seeing people, there's just an intimacy to hearing somebody's voice." The inclusion of Kermit the Frog's "The Rainbow Connection" deeply touched the Muppet. "Well, gee, it's an amazing feeling to officially become part of our nation's history," Kermit said in a statement. "It's a great honor. And I am thrilled — I am thrilled! — to be the first frog on the list!" The song was included in the 1979 "The Muppet Movie" performed by Jim Henson as Kermit the Frog, and written by Paul Williams and Kenneth Ascher. Williams said the song is about the "immense power of faith." "We don't know how it works, but we believe that it does," Williams said. "Sometimes the questions are more beautiful than the answers." Under the terms of the National Recording Preservation Act of 2000, the Librarian of Congress selects 25 titles each year that are at least 10 years old. Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
cte Winners announced in Distracted Driving video contest. By www.catawbacountync.gov Published On :: Thu, 2 Jun 2011 11:30:00 EST A team of students at Maiden High School has been selected as the Grand Prize winner in Catawba County�s Distracted Driving Video Contest. Members of the winning team are Matt Ellis, Rebecca Gates, John Kirby and Taylor Abshire. Full Article News Release FYI Please Choose
cte Winners of 2012 Distracted Driving Video Contest announced at Red Carpet event. By www.catawbacountync.gov Published On :: Wed, 2 May 2012 16:45:00 EST A team of students from Hickory High School's Student Council won the Grand Prize. The team included Will McCarrick, Anne Orgain, Taylor Panzer and Lexie Reeves. Their video, "Do You Drive Distracted?", was judged the best by a panel of judges. Full Article News Release FYI Please Choose
cte New State food rules expected to enforce safe food handling and reduce transmission of food-borne illness. By & Published On :: Fri, 7 Sep 2012 11:00:00 EST New State food rules recently put in place are expected to enforce safe food handling and reduce transmission of food-borne illness. Full Article News Release FYI Please Choose
cte Supreme Court Rules Cheerleader's F-Bombs Are Protected By The 1st Amendment By www.scpr.org Published On :: Wed, 23 Jun 2021 10:00:12 -0700 Nina Totenberg | NPR Updated June 23, 2021 at 12:20 PM ET The U.S. Supreme Court sided with students on Wednesday, ruling that a former cheerleader's online F-bombs about her school is protected speech under the First Amendment. By an 8-1 vote, the court declared that school administrators do have the power to punish student speech that occurs online or off campus if it genuinely disrupts classroom study. But the justices concluded that a few swear words posted online from off campus, as in this case, did not rise to the definition of disruptive. "While public schools may have a special interest in regulating some off-campus student speech, the special interests offered by the school are not sufficient to overcome B. L.'s interest in free expression in this case," Justice Stephen Breyer wrote for the court's majority. At issue in the case was a series of F-bombs issued in 2017 on Snapchat by Brandi Levy, then a 14-year-old high school cheerleader who failed to win a promotion from the junior varsity to the varsity cheerleading term at her Pennsylvania school. "I was really upset and frustrated at everything," she said in an interview with NPR in April. So she posted a photo of herself and a friend flipping the bird to the camera, along with a message that said, "F*** the school ... F*** cheer, F*** everything." Suspended from the team for what was considered disruptive behavior, Brandi and her parents went to court. They argued that the school had no right to punish her for off-campus speech, whether it was posted online while away from school, as in this case, or spoken out loud at a Starbucks across the street from school. A federal appeals court agreed with her, declaring that school officials have no authority to punish students for speech that occurs in places unconnected to the campus. The decision marked the first time that an appeals court issued such a broad interpretation of the Supreme Court's landmark student speech decision more then a half century ago. Back then, in a case involving students suspended for wearing black armbands to school to protest the Vietnam War, the court ruled that students do have free speech rights under the Constitution, as long as the speech is not disruptive to the school. Although Brandi Levy is now in college, the school board in Mahanoy, Pa., appealed to the Supreme Court, contending that disruption can come from outside the campus but still have serious effects on campus. It pointed to laws in 47 states that require schools to enforce anti-bullying and anti-harassment policies. The high court, however, focused on the facts in Levy's case, concluding that while her posts were less than admirable, they did not meet the test of being disruptive. "We do not believe the special characteristics that give schools additional license to regulate student speech always disappear when a school regulates speech that takes place off campus," Breyer wrote. "The school's regulatory interests remain significant in some off-campus circumstances." In a concurring opinion, Justice Samuel Alito wrote: "If today's decision teaches any lesson, it must be that the regulation of many types of off-premises student speech raises serious First Amendment concerns, and school officials should proceed cautiously before venturing into this territory." In a dissent, Justice Clarence Thomas wrote that the school was right to suspend Levy because students like her "who are active in extracurricular programs have a greater potential, by virtue of their participation, to harm those programs." "For example, a profanity-laced screed delivered on social media or at the mall has a much different effect on a football program when done by a regular student than when done by the captain of the football team," Thomas wrote. "So, too, here." Copyright 2021 NPR. To see more, visit https://www.npr.org. This content is from Southern California Public Radio. View the original story at SCPR.org. Full Article
cte Global Commissions That Reflected on Ebola Outbreak Highlight Overlapping Conclusions in New PLOS Medicine Piece By Published On :: Thu, 19 May 2016 05:00:00 GMT To make the world safer against future infectious disease threats, national health systems should be strengthened, the World Health Organization’s emergency and outbreak response activities should be consolidated and bolstered, and research and development should be enhanced, says a new Policy Forum article that appears in the May 19 edition of PLOS Medicine. Full Article
cte National Academies Gulf Research Program Awards Over $340,000 to Assist Scientific Research Impacted by Hurricanes Harvey and Irma By Published On :: Wed, 18 Apr 2018 05:00:00 GMT The Gulf Research Program (GRP) of the National Academies of Sciences, Engineering, and Medicine today announced 11 grant awards totaling $341,283 to assist in the recovery of Gulf Coast scientific research efforts impacted by hurricanes Harvey and Irma. Full Article
cte National Academies Gulf Research Program Awards Over $287,000 to Assist Scientific Research Impacted by Hurricanes Harvey and Irma By Published On :: Wed, 13 Jun 2018 05:00:00 GMT The Gulf Research Program (GRP) of the National Academies of Sciences, Engineering, and Medicine today announced 11 grant awards totaling $287,565 to assist in the recovery of Gulf of Mexico region scientific research efforts impacted by hurricanes Harvey and Irma. Full Article
cte Winners Selected for the 2017-2018 TRB Airport Cooperative Research Program University Design Competition for Addressing Airport Needs By Published On :: Fri, 22 Jun 2018 05:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) recently selected winners for its University Design Competition for Addressing Airport Needs. Full Article
cte Eight Health Professionals Selected for Robert Wood Johnson Foundation Health Policy Fellows Program at the National Academy of Medicine By Published On :: Wed, 27 Jun 2018 05:00:00 GMT The National Academy of Medicine (NAM) and Robert Wood Johnson Foundation (RWJF) today named the 2018-2019 class of RWJF Health Policy Fellows. Full Article
cte New Report Identifies Three Critical Areas of Research to Fill Gaps in Scientific Knowledge of the Gulf Coasts Interconnected Natural and Human System By Published On :: Wed, 27 Jun 2018 05:00:00 GMT Improved understanding of the coupled natural-human coastal system will help promote resilience of coastal communities and ecosystems under rapidly changing environmental conditions and support informed decision-making, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
cte Spread of COVID 19 Virus from Infected Patients Antibody Response, and Interpretation of Laboratory Testing Examined in New Rapid Responses to Government from Standing Committee on Emerging Infectious Diseases By Published On :: Thu, 09 Apr 2020 04:00:00 GMT A new rapid expert consultation from a standing committee of the National Academies of Sciences, Engineering, and Medicine. Full Article
cte Winners Selected for the 2019-2020 TRB Airport Cooperative Research Program University Design Competition for Addressing Airport Needs By Published On :: Wed, 24 Jun 2020 04:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) has selected winners for its annual University Design Competition for Addressing Airport Needs. Full Article
cte As SARS-CoV-2 Virus Evolves, Genomic Data Should Be Collected Alongside Patient and Public Health Data, Says New Report By Published On :: Fri, 31 Jul 2020 04:00:00 GMT To better understand the evolution, transmission patterns, and disease progression of SARS-CoV-2 — the virus that causes COVID-19 — genome sequence data should be integrated with patient clinical data and epidemiological data, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
cte Emerging Evidence Indicates COVID-19 Pandemic Has Negatively Impacted Women in Academic STEMM Fields, Endangering Progress Made in Recent Years By Published On :: Tue, 09 Mar 2021 05:00:00 GMT Preliminary evidence indicates that the COVID 19 pandemic has negatively affected the well-being of women in academic STEMM fields in a range of areas, including productivity, work-life boundary control, networking and community building, and mental well-being, says a new report from the National Academies of Sciences, Engineering, and Medicine. Full Article
cte Winners Selected for the 2020-2021 TRB Airport Cooperative Research Program University Design Competition for Addressing Airport Needs By Published On :: Thu, 24 Jun 2021 04:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) has selected winners for its annual University Design Competition for Addressing Airport Needs. Full Article
cte Nine Winners Selected for the TRB Airport Cooperative Research Program Graduate Research Awards By Published On :: Thu, 09 Sep 2021 04:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) today announced nine winners of its annual Graduate Research Awards. Full Article
cte New Report Recommends Renewed Us-federal Investment in Chemical Engineering Directed to the Energy Transition Medical Advances and Other Challenges By Published On :: Wed, 09 Feb 2022 05:00:00 GMT To maintain U.S. global leadership and meet societal challenges — including generating medical advances, furthering the energy transition, and making food and water safer and more sustainable — new investments, collaborations, and educational practices in the chemical engineering field are needed. Full Article
cte Winners Selected for the 2021-2022 TRB Airport Cooperative Research Program University Design Competition for Addressing Airport Needs By Published On :: Wed, 20 Jul 2022 04:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) has selected winners for its annual University Design Competition for Addressing Airport Needs. Now in its 16th year, the prestigious competition encourages students to design innovative and practical solutions to challenges at airports. Full Article
cte Eight Winners Selected for the TRB Airport Cooperative Research Program Graduate Research Awards By Published On :: Fri, 09 Dec 2022 05:00:00 GMT The Transportation Research Board’s Airport Cooperative Research Program (ACRP) has announced the winners of its annual Graduate Research Awards. The prestigious awards focus on applied research on airport and related aviation system issues to help the public sector continue to improve the quality, reliability, safety, and security of the U.S. civil aviation system. Full Article
cte New sensor could help fight deadly bacterial infections By esciencenews.com Published On :: Wed, 07 Sep 2016 10:36:36 +0000 Scientists have built a new sensor that can detect the potentially deadly E.coli bacteria in 15-20 minutes, much faster than traditional lab tests. E.coli can be transmitted in contaminated food and water, posing particular risks to children and the elderly. In the late spring of 2011 a serious outbreak of E.coli bacteria sickened thousands of people in Germany and killed more than 50. read more Full Article Physics & Chemistry
cte IISc scientists use AI, Raman spectroscopy to detect bacterial pathogen By cio.economictimes.indiatimes.com Published On :: Thu, 29 Dec 2022 08:53:05 +0530 In a new study, Siva Umapathy and Deepak Kumar Saini’s teams have demonstrated another application for this combination: Quickly identifying bacterial pathogens in different types of clinical samples. Full Article
cte India added 71 megawatt IT data center during Jan-Jun, demand projected to be strong: Savills By cio.economictimes.indiatimes.com Published On :: Fri, 02 Aug 2024 10:42:45 +0530 While major absorption has been recorded in hyperscalers across major cities, colocation services followed closely witnessing significant growth. This shift, as per Savills, can be attributed to factors such as high capital expenditure and operating expense. Full Article
cte The real-time economy: when everything gets connected By cio.economictimes.indiatimes.com Published On :: Wed, 10 Jun 2015 11:59:11 +0530 The real-time economy requires instant processes in an increasing number of business functions. Full Article
cte Chinese investigators characterize the world of resistance gene exchange among bacteria By esciencenews.com Published On :: Fri, 09 Sep 2016 17:42:39 +0000 Certain antibiotic resistance genes are easily transferred from one bacterial species to another, and can move between farm animals and the human gut. A team led by Chinese researchers has characterized this "mobile resistome," which they say is largely to blame for the spread of antibiotic resistance. They found that many antibiotic resistance genes that are shared between the human and animal gut microbiome are also present in multiple human pathogens. These findings are published September 9 in Applied and Environmental Microbiology, a journal of the American Society for Microbiology. read more Full Article Biology & Nature