Search results for "Single"

showing 10 items of 4920 documents

Ferromagnetic exchange in a twisted, oxime-bridged [mniii2] dimer

2012

Journal article The dimeric complex [MnIII2(Naphth-sao)2(Naphth-saoH)2(MeOH)2][middle dot]4MeOH (1[middle dot]4MeOH), acts as a simple model complex with which to examine the magneto-structural relationship in polymetallic, oxime-bridged MnIII complexes. Dc magnetic susceptibility studies reveal that ferromagnetic exchange is mediated through the heavily twisted Mn-O-N-Mn moiety (J = +1.24 cm-1) with magnetisation measurements at low temperatures and high fields suggesting significant anisotropy. Simulations of high field, high frequency EPR data reveal a single ion anisotropy, D(MnIII) = -3.94 cm-1. Theoretical studies on simplified model complexes of 1 reveal that calculated values of the…

complexes/dk/atira/pure/subjectarea/asjc/1600/1604familyni(ii)ligandsDimerMagnetic susceptibilityIonlaw.inventionInorganic Chemistryatoms lichemistry.chemical_compoundCrystallographyMagnetizationaxis extra linesSingle-Molecule Magnetselectron-paramagnetic-resonancechemistryFerromagnetismlawkrgaussian-basis setsMoietyAnisotropyElectron paramagnetic resonance
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Role of Weak Hydrogen Bonds and Halogen Bonds in 5-Halo-1,3-dimethyluracils and Their Cocrystals—A Combined Experimental and Computational Study

2016

Seven single crystals containing either N,N-dimethyluracil (DMHU) or one of its 5-halogenated derivatives (DMXU; X = F, Cl, Br, I) were prepared using N,N-dimethylformamide as the crystallization solvent. Single crystal X-ray diffraction and quantum chemical calculations carried out at the spin component scaled local MP2 level of theory were then used to study the intramolecular halogen and nonconventional hydrogen bonds present in the structures. The results were compared to and contrasted with the previously reported data for uracil and its halogenated derivatives. In particular, the intermolecular interactions in DMIU were compared to the halogen and hydrogen bonds in 5-iodouracil that, …

computational studieshalogen bondsInorganic chemistryhydrogen bonds; computational analysis; computational studieschemistry010402 general chemistry01 natural sciencesGeneral Materials Sciencecocrystalsta116Degree of unsaturationvetysidoksetHalogen bondyhteiskiteet010405 organic chemistryHydrogen bondChemistryIntermolecular forceGeneral ChemistryCondensed Matter Physics0104 chemical sciencesSolventCrystallographycomputational analysisIntramolecular forcehydrogen bondsHalogenhalogeenisidoksetSingle crystalCrystal Growth & Design
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Absence of mutation at the GAP-related domain of the neurofibromatosis type 1 gene in sporadic neurofibrosarcomas and other bone and soft tissue sarc…

1995

The NF1 gene encodes neurofibromin, a GTPase-activating protein containing a GAP-related domain (NF1-GRD) that is capable of downregulating ras by stimulating ras intrinsic GTPase activity. We tested 44 sarcomas, nine of which corresponded to sporadic neurofibrosarcomas, for mutations at the NF1-GRD by the polymerase chain reaction-single strand conformation polymorphism (PCR-SSCP) technique, finding no mutation in every sample tested. We suggest that inactivation of the NF1-GRD by gene mutation seems not to be an important event in the tumorigenesis of sarcomas.

congenital hereditary and neonatal diseases and abnormalitiesCancer ResearchNeurofibromatosis 1DNA Mutational AnalysisBone NeoplasmsSoft Tissue NeoplasmsGTPaseBiologyGene mutationmedicine.disease_causePolymerase Chain ReactionGeneticsmedicineHumansneoplasmsMolecular BiologyGenePolymorphism Single-Stranded ConformationalGeneticsMutationNeurofibromin 1ProteinsSarcomaSingle-strand conformation polymorphismmedicine.diseaseNeurofibromin 1eye diseasesnervous system diseasesNeurofibrosarcomaCancer researchbiology.proteinSarcomaCarcinogenesisCancer Genetics and Cytogenetics
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Lonoctocog alfa (rVIII-SingleChain) for the treatment of haemophilia A

2017

Introduction: The administration of factor VIII (FVIII) concentrates on-demand or on long-term prophylaxis is the effective and safe standard of care of patients with hemophilia A (HA). Development of neutralizing antibodies against exogenous FVIII and the short half-life of the current available products remain major challenges. There is currently a great interest towards newer FVIII products with the goal of reducing the inhibitor risk and increasing the half-life. Area covered: In this review, the authors describe the efficacy and safety of rVIII-SingleChain (Lonoctocog alfa), the first and only single chain recombinant FVIII (rFVIII) molecule developed for the prevention and treatment o…

congenital hereditary and neonatal diseases and abnormalitiesPediatricsmedicine.medical_specialtyHaemophiliaStandard of caresingle-chainHaemophilia AClinical BiochemistrySingle chain030204 cardiovascular system & hematologyHaemophiliaHemophilia A03 medical and health sciences0302 clinical medicineLONOCTOCOG ALFAhemic and lymphatic diseasesDrug DiscoverymedicineHumansPharmacologyClinical Trials as TopicFactor VIIIbusiness.industryCoagulantsDrug Discovery3003 Pharmaceutical ScienceRecombinant Proteinmedicine.diseaseRecombinant ProteinsCoagulantbusiness030215 immunologyHalf-LifeHuman
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Gallium(III) and Indium(III) Complexes with meso-Monophosphorylated Porphyrins: Synthesis and Structure. A First Example of Dimers Formed by the Self…

2017

International audience; The synthesis and structural characterization, both in solution by means of H-1 and P-31 NMR and UV-vis spectroscopies and in the solid state by X-ray diffraction on single crystal, of a series of gallium(III) and indium(III) meso-mono(diethoxyphosphoryl)porphyrins bearing different peripheral substituents as well as the corresponding monoesters and phosphonic acids are reported. This work describes the first example of the X-ray structure of a self-assembled dimer formed via strong binding between the oxygen atom of the phosphonate substituent and the gallium(III) cations of adjacent porphyrin molecules [Ga-O = 1.9708(13) angstrom].

coordinationchlorideDimerSubstituentchemistry.chemical_elementmalaria pigment[CHIM.INOR]Chemical Sciences/Inorganic chemistry010402 general chemistryPhotochemistry01 natural sciencessupramolecular chemistryInorganic Chemistrychemistry.chemical_compoundoctaethylporphyrinMoleculecleavagePhysical and Theoretical ChemistryGalliumsoluble diamagnetic modelmolecular-structure010405 organic chemistrycrystal-structure[ CHIM.INOR ] Chemical Sciences/Inorganic chemistryPhosphonatePorphyrin0104 chemical sciencesCrystallographychemistryoxidesSingle crystalIndium
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The role of the happiness philosophy and core self-evaluations in defining job satisfaction as seen by the self and the significant other

2015

Bieżący artykuł bada źródła satysfakcji z pracy. Wieloźródłowe badanie zostało przeprowadzone w dwóch formach: jako kwestionariusz online ( n =642) i jako kwestionariusz papierowy ( n =635). Żeby ujednoznacznić pomiar zmiennej zależnej (zadowolenie z pracy), wykorzystano dwa źródła jej pomiaru: samoocena badanej osoby oraz ocena przez ważną inną osobę. Wyniki pokazują, iż ocena przez bliską osobę może być wartościowym źródłem informacji o samoocenie badanej osoby. Dodat - kowo w ramach hierarchicznej analizy regresji wykazano, iż obie formy filozofii szczęścia: eudaimo - nizm i hedonizm pozwalają na przewidywanie satysfakcji z pracy ponad przewidywanie oparte o pod - stawowe samowartościowa…

core self-evaluationsSelfmedia_common.quotation_subjectApplied psychologyeudaimonismproblem jednoźródłowości danychJob attitudehedonizmhedonismCore self-evaluationsHappinesseudajmonizmzadowolenie z pracyJob satisfactionSignificant otherPsychologySocial psychologymedia_commonpodstawowe samowartościowaniejob satisfactionsingle source biasPolish Journal of Applied Psychology
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Nonstandard Work Hours and Single Versus Coupled Mothers’ Work-to-Family Conflict

2019

Objective: To compare single and coupled mothers’ experiences of time-based work-to-family conflict (WFC) and work-to-family positive affective spillover (PAS) in the context of maternal nonstandard work hours.Background: Despite having become one of the central topics of work–family research, studies examining the relationship of maternal work schedules and family roles have mainly focused on North American samples or dual-earner families. Although qualitative studies have highlighted the problems faced by European single mothers in relation to the combination of nonstandard work hours and family life, there are no quantitative or cross-national comparative studies on the association.Metho…

couplesyhteensovittaminennon-stand working schedulespariskunnattyöyksinhuoltajattyöaikasingle motherswork–family conflictfamily spilloverepätyyppilliset työajatworking mothersperhenonstandard work schedules
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Single- and Double-Strand Breaks of Dry DNA Exposed to Protons at Bragg-Peak Energies

2017

International audience; Ultrathin layers (<20 nm) of pBR322 plasmid DNA were deposited onto 2.5 μm thick polyester films and exposed to proton Bragg-peak energies (90–3000 keV) at various fluences. A quantitative analysis of radio-induced DNA damage is reported here in terms of single- and double-strand breaks (SSB and DSB, respectively). The corresponding yields as well as G-values and the cross sections exhibit fairly good agreement with the rare available data, stemming from close experimental conditions, namely, based on α particle irradiation. SSB/DSB rates appear to be linear when plotted against linear energy transfer (LET) in the whole energy range studied. All the data present a ma…

cross-sectionProtonPolyestersLinear energy transferBragg peak7. Clean energyclustered DNA damage030218 nuclear medicine & medical imagingdamage yield03 medical and health scienceschemistry.chemical_compound0302 clinical medicineFragmentation (mass spectrometry)Materials ChemistryDNA Breaks Double-StrandedLinear Energy TransferDNA Breaks Single-StrandedIrradiationPhysical and Theoretical Chemistryradiochemical yieldDouble strandRange (particle radiation)DNASurfaces Coatings and Films[ PHYS.PHYS.PHYS-CHEM-PH ] Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]chemistry030220 oncology & carcinogenesis[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]ProtonsAtomic physicsDNAPlasmidsBragg-Peaksingle and double strand breakThe Journal of Physical Chemistry B
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Polymorphism and versatile solvate formation of thiophanate-methyl

2009

The polymorphism of a fungicide, thiophanate-methyl (TM), was investigated with conventional solvent screening methods. Two polymorphs, the thermodynamically most stable form I and the less stable form II, were found. TM was also found to crystallize as a plethora of different solvates which produced mostly form II upon desolvation. The structures of form I and form II and the fourteen discovered solvates were solved by single crystal X-ray diffraction. The most stable forms were further characterized by powder diffraction, thermoanalytical (TG/DTA, DSC and thermomicroscopy) and spectroscopic (IR, Raman, ¹³C CP/MAS NMR) methods. peerReviewed

crystal formChemistrypolymorfiaGeneral ChemistryCondensed Matter PhysicssolvaattipolymorphismSolventCrystallographysymbols.namesakekidemuotosolvatePolymorphism (materials science)symbolsScreening methodThiophanate-methylGeneral Materials ScienceDesolvationRaman spectroscopySingle crystalPowder diffractionCrystEngComm
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Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material …

2019

This present work undertakes the study of a novel organic–inorganic hybrid material, which has been obtained successfully by an acid-base reaction at room temperature and structurally studied by the single crystal X-ray diffraction method. (C10H15N2)2H2P2O7 crystallizes in the triclinic system with the non-centrosymmetric space group P1 with the following lattice parameters: a = 5.9159(2) Å, b = 13.8451(6) Å, c = 14.5973(5) Å, ? = 74.507(2)°, ? = 89.980(2)°, ? = 89.231(2)° with V = 1152.06(8) Å3 and Z = 2. The X-ray structural analysis supported by a detailed Hirshfeld 2D fingerprint plots has been performed to elucidate the different inter-contacts in the crystal structure mainly associate…

crystal structure010405 organic chemistryChemistryOrganic ChemistryMulliken chargesCrystal structureTriclinic crystal systemMEP010402 general chemistry01 natural sciencesDFT0104 chemical sciencesAnalytical Chemistrynon-centrosymmetric hybrid materialInorganic ChemistryCrystallographyMolecular vibrationNon–centrosymmetric hybrid materialDensity functional theoryHOMO-LUMOGround stateMulliken population analysisSingle crystalSpectroscopyBasis set
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