Search results for "lcsh:QD901-999"

showing 10 items of 88 documents

Light-induced structural changes in a monomeric bacteriophytochrome

2016

International audience; Phytochromes sense red light in plants and various microorganism. Light absorption causes structural changes within the protein, which alter its biochemical activity. Bacterial phytochromes are dimeric proteins, but the functional relevance of this arrangement remains unclear. Here, we use time-resolved X-ray scattering to reveal the solution structural change of a monomeric variant of the photosensory core module of the phytochrome from Deinococcus radiodurans. The data reveal two motions, a bend and a twist of the PHY domain with respect to the chromophore-binding domains. Infrared spectroscopy shows the refolding of the PHY tongue. We conclude that a monomer of th…

0301 basic medicineAllosteric regulationInfrared spectroscopyBiological Systems010402 general chemistry01 natural sciencesARTICLES03 medical and health scienceschemistry.chemical_compoundSDG 17 - Partnerships for the Goalslcsh:QD901-999[CHIM]Chemical SciencesInstrumentationSpectroscopyRadiationPhytochromebiologyChemistryMolecular biophysicsta1182/dk/atira/pure/sustainabledevelopmentgoals/partnershipsDeinococcus radioduransBiochemical ActivityCondensed Matter Physicsbiology.organism_classification0104 chemical sciences030104 developmental biologyMonomerStructural changebacterial phytochromesBiophysicslcsh:CrystallographyStructural Dynamics
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1-(Pyridin-4-yl)-3-(2,4,6-trichlorophenyl)benz[4,5]imidazo[1,2-d][1,2,4]triazin-4(3H)-one

2016

In the title compound, C20H10Cl3N5O, the 13-membered ring system makes dihedral angles of 78.64 (9)° with the trichlorophenyl ring and 62.60 (10)° with the pyridine ring. The crystal packing is dominated by π–π interactions between the 13-membered ring systems [centroid–centroid distance = 3.6655 (11)°].

0301 basic medicinepyridinecrystal structure246-trichlorophenylStereochemistryCentroidGeneral MedicineCrystal structureDihedral angleRing (chemistry)124-triazinoneCrystalbenzoimidazole03 medical and health sciencesCrystallographychemistry.chemical_compound030104 developmental biology0302 clinical medicinechemistry030220 oncology & carcinogenesisPyridinelcsh:QD901-999lcsh:CrystallographyIUCrData
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Beating Darwin-Bragg losses in lab-based ultrafast x-ray experiments

2017

The use of low temperature thermal detectors for avoiding Darwin-Bragg losses in lab-based ultrafast experiments has begun. An outline of the background of this new development is offered, showing the relevant history and initiative taken by this work. (C) 2017 Author(s). Funding Agencies|Knut and Alice Wallenberg Foundation; ERC [226136]; Finnish Funding Agency for Technology and Innovation TEKES; Academy of Finland [260880]; NIST Innovations in Measurement Science program; DOE Office of Basic Energy Sciences

Atom and Molecular Physics and OpticsPhysics::OpticsNanotechnology02 engineering and technology01 natural sciencesThermal detectorOpticsDarwin-Bragg loss0103 physical scienceslcsh:QD901-999010306 general physicsInstrumentationSpectroscopyPhysicsRadiationbusiness.industryArticleskidetiede021001 nanoscience & nanotechnologyCondensed Matter Physicsultrafast x-raysUltrafast Structural Dynamics—A Tribute to Ahmed H. ZewailDarwin (spacecraft)Atom- och molekylfysik och optiklcsh:Crystallography0210 nano-technologybusinessUltrashort pulseStructural Dynamics
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Comparative Ab Initio Calculations of ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) Surfaces

2020

We performed, for first time, ab initio calculations for the ReO2-terminated ReO3 (001) surface and analyzed systematic trends in the ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surfaces using first-principles calculations. According to the ab initio calculation results, all ReO3, SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface upper-layer atoms relax inwards towards the crystal bulk, all second-layer atoms relax upwards and all third-layer atoms, again, relax inwards. The ReO2-terminated ReO3 and ZrO2-terminated SrZrO3, BaZrO3, PbZrO3 and CaZrO3 (001) surface band gaps at the &Gamma

B3LYPMaterials scienceReO<sub>3</sub>Band gapABO3 perovskitesGeneral Chemical EngineeringPopulationab initio methodsAb initio02 engineering and technology010402 general chemistry01 natural sciencesMolecular physicsInorganic ChemistryCrystalABO<sub>3</sub> perovskitesAb initio quantum chemistry methodsAtomlcsh:QD901-999:NATURAL SCIENCES:Physics [Research Subject Categories]ReO3General Materials ScienceeducationPerovskite (structure)education.field_of_studyAb initio methods021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesB3PWChemical bond(001) surfacelcsh:Crystallography0210 nano-technologyCrystals
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2,2-Di­fluoro-3-(4-fluoro­phen­yl)-2H-benzo[e][1,3,2]oxaza­borinin-3-ium-2-uide

2017

There is one independent molecule in the asymmetric unit of the title compound, C13H9BF3NO, which crystallizes in the non-centrosymmetric space groupCc. In the molecular structure, the BF2-carrying ring is distorted from planarity and its mean plane makes a dihedral angle of 42.3 (1)° with the 4-fluorophenyl ring. F atoms are involved in all of the short intermolecular contacts of the crystal structure, which link molecules to form chains along [001] and [010].

BF2−salicylatescrystal structureChemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesPlanarity testing0104 chemical sciencesBF2 complexesCrystallographylcsh:QD901-999Moleculelcsh:CrystallographyUnit (ring theory)IUCrData / International Union of Crystallography
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2,5-Bis[(E)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine

2020

The molecule of the title compound, C30H22N4, exhibits inversion symmetry adopting the shape of a St Andrew's Cross. It shows dihedral angles between adjacent aryl units of around 50° whereas torsion angles of ca 10° are found along the arylene vinylene path.

Crystallographychemistry.chemical_compoundcrystal structureheterocyclesChemistryArylconjugated oligomersPoint reflectionlcsh:QD901-999Torsion (mechanics)Crystal structurelcsh:CrystallographyDihedral angleIUCrData
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LiCrO2 Under Pressure: In-Situ Structural and Vibrational Studies

2018

The high-pressure behaviour of LiCrO2, a compound isostructural to the battery compound LiCoO2, has been investigated by synchrotron-based angle-dispersive X-ray powder diffraction, Raman spectroscopy, and resistance measurements up to 41, 30, and 10 Gpa, respectively. The stability of the layered structured compound on a triangular lattice with R-3m space group is confirmed in all three measurements up to the highest pressure reached. The dependence of lattice parameters and unit-cell volume with pressure has been determined from the structural refinements of X-ray diffraction patterns that are used to extract the axial compressibilities and bulk modulus by means of Birch&ndash

DiffractionMaterials sciencehigh-pressureHigh-pressureGeneral Chemical EngineeringThermodynamics02 engineering and technology01 natural sciencesInorganic Chemistrysymbols.namesakeElectrical resistance and conductanceElectrical resistivity and conductivity0103 physical scienceslcsh:QD901-999General Materials ScienceHexagonal lattice010306 general physicsequation of stateBulk modulusEquation of state021001 nanoscience & nanotechnologyCondensed Matter PhysicsX-ray diffractionX-ray crystallographyhigh-pressure; X-ray diffraction; Raman spectroscopy; equation of stateRaman spectroscopysymbolslcsh:Crystallography0210 nano-technologyRaman spectroscopyPowder diffraction
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Polarization Modulation Instability in Dispersion-Engineered Photonic Crystal Fibers

2021

Generation of widely spaced polarization modulation instability (PMI) sidebands in a wide collection of photonic crystal fibers (PCF), including liquid-filled PCFs, is reported. The contribution of chromatic dispersion and birefringence to the net linear phase mismatch of PMI is investigated in all-normal dispersion PCFs and in PCFs with one (or two) zero dispersion wavelengths. Large frequency shift sidebands are demonstrated experimentally. Suitable fabrication parameters for air-filled and liquid-filled PCFs are proposed as guidelines for the development of dual-wavelength light sources based on PMI.

FabricationMaterials scienceGeneral Chemical EngineeringANDi fiberPhysics::Optics02 engineering and technology01 natural sciencesInstability010309 opticsInorganic Chemistry020210 optoelectronics & photonics0103 physical sciencesDispersion (optics)0202 electrical engineering electronic engineering information engineeringlcsh:QD901-999General Materials ScienceMaterialsLinear phaseBirefringencebusiness.industryliquid-filled PCFPolarization modulationÒpticaCondensed Matter PhysicsWavelengthpolarization modulation instabilityOptoelectronicsCristallslcsh:Crystallographybusinessphotonic crystal fiberPhotonic-crystal fiberCrystals
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Layered Double Hydroxides

2020

The impact of layered double hydroxides (LDHs) within the multidisciplinary fields of materials sciences, physics, chemistry, and biology is rapidly growing, given their easiness of synthesis, flexibility in composition, tunable biocompatibility and morphology. LDHs constitute a versatile platform for the realization of new classes of functional systems, showing unique enhanced surface effects and unprecedented properties for application in very different fields, namely, surface chemistry and catalysis, storage and triggered release of functional anions, flame retardants, drug delivery and nanomedicine, remediation, energy storage and conversion. These systems can be synthesized as self-ass…

Flexibility (engineering)BiocompatibilityGeneral Chemical EngineeringLayered double hydroxidesNanotechnologyengineering.materialCondensed Matter PhysicsInorganic Chemistryn/aengineeringlcsh:QD901-999General Materials Sciencelcsh:CrystallographyLayered Double HydroxidesSettore CHIM/02 - Chimica Fisica
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Synthesis of Enaminones-Based Benzo[d]imidazole Scaffold: Characterization and Molecular Insight Structure

2020

(E)-1-(1H-Benzo[d]imidazol-2-yl)-3-(dimethylamino)prop-2-en-1-one 2 was synthesized by one-pot synthesis protocol of 2-acetyl benzo[d]imidazole with dimethylformamide dimethylacetal (DMF-DMA) in xylene at 140 &deg

General Chemical EngineeringAcetylacetoneChemical structure010402 general chemistry01 natural sciencesDFTInorganic Chemistrychemistry.chemical_compound<i>β</i>-enaminonelcsh:QD901-999ImidazoleMoleculeGeneral Materials ScienceReactivity (chemistry)β-enaminoneorgaaniset yhdisteetkemiallinen synteesi010405 organic chemistrytiheysfunktionaaliteoriabenzo[<i>d</i>]imidazoleHirshfeld analysiskiteetCondensed Matter Physics0104 chemical sciencesCrystallographyDMF-DMAchemistrybenzo[d]imidazoleOrthorhombic crystal systemlcsh:CrystallographyDerivative (chemistry)Monoclinic crystal systemCrystals
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