| 1. |
- O'Shea, J. N., et al.
(författare)
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Hydrogen-bond induced surface core-level shift in isonicotinic acid
- 2001
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Ingår i: Journal of Physical Chemistry B. - : American Chemical Society (ACS). - 1089-5647 .- 1520-6106 .- 1520-5207. ; 105:10, s. 1917-1920
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Tidskriftsartikel (refereegranskat)abstract
- Intermolecular hydrogen-bonding in thick films of isonicotinic acid evaporated onto rutile TiO2(110) has been investigated with X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS). The rate of deposition is found to be a key factor in overcoming the kinetic barriers to extensive hydrogen-bond formation, which, when present, gives rise to large energy shifts between bulk and surface in both the N1s XPS and XAS. The origin of the surface core-level shift is attributed to the presence of non-hydrogen-bonded nitrogen atoms in the surface layer.
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| 2. |
- O'Shea, J. N., et al.
(författare)
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Hydrogen-bond induced surface core-level shift in pyridine carboxylic acids
- 2001
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Ingår i: Surface Science. - 0039-6028 .- 1879-2758. ; 486:3, s. 157-166
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Tidskriftsartikel (refereegranskat)abstract
- Intermolecular hydrogen bonding in thick films of pyridine carboxylic acids (isonicotinic; picolinic and bi-isonicotinic acid) evaporated onto rutile TiO2(1 1 0) has been investigated with X-ray photoelectron spectroscopy and X-ray absorption spectroscopy. These molecules are shown to be strongly H-bonded in the condensed phase, and a surface core-level shift is observed due to the presence of non-H-bonded nitrogen atoms in the surface layer. Density functional theory calculations are used to relate the experimental data to the proposed bonding configurations based on the surface termination of the known equilibrium solid-state structure. A kinetic barrier, attributed to the high degree of molecular orientation required for the formation of extended H-bonding networks, has also been investigated.
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| 3. |
- Mullier, G.A., et al.
(författare)
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Measurements of jet observables sensitive to b -quark fragmentation in t t ¯ events at the LHC with the ATLAS detector
- 2022
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Ingår i: Physical Review D. - : American Physical Society (APS). - 2470-0010 .- 2470-0029. ; 106:3
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Tidskriftsartikel (refereegranskat)abstract
- Several observables sensitive to the fragmentation of b quarks into b hadrons are measured using 36 fb-1 of s=13 TeV proton-proton collision data collected with the ATLAS detector at the LHC. Jets containing b hadrons are obtained from a sample of dileptonic tt¯ events, and the associated set of charged-particle tracks is separated into those from the primary pp interaction vertex and those from the displaced b-decay secondary vertex. This division is used to construct observables that characterize the longitudinal and transverse momentum distributions of the b hadron within the jet. The measurements have been corrected for detector effects and provide a test of heavy-quark-fragmentation modeling at the LHC in a system where the top-quark decay products are color connected to the proton beam remnants. The unfolded distributions are compared with the predictions of several modern Monte Carlo parton-shower generators and generator tunes, and a wide range of agreement with the data is observed, with p values varying from 5×10-4 to 0.98. These measurements complement similar measurements from e+e- collider experiments in which the b quarks originate from a color singlet Z/γ∗. © 2022 CERN.
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| 4. |
- Schmitt, H., et al.
(författare)
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Synthesis, redox properties, and EPR spectroscopy of manganese(III) complexes of the ligand N,N-bis(2-hydroxybenzyl)-N '-2-hdroxybenzylidene-1,2-diaminoethane : Formation of mononuclear, dinuclear, and even higher nuclearity complexes
- 2002
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Ingår i: Chemistry - A European Journal. - 0947-6539 .- 1521-3765. ; 8:16, s. 3757-3768
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Tidskriftsartikel (refereegranskat)abstract
- The synthesis and characterization of the title trisphenolate ligand are described. From its reaction with manganese(iii) three complexes were isolated. The crystal structures revealed one pentacoordinate monomer and two similar dimers with different solvents of crystallization. In the dimers the metal ions are hexacoordinate and connected through bridging of two phenolates. A combination of electrochemistry and EPR spectroscopy showed that, in acetonitrile, the isolated batches were all identical and mainly monomeric, indicating that the mononuclear complex is in equilibrium with the dimer and perhaps also with complexes of higher nuclearity, as suggested by the detection of both the trimer and the tetramer by electrospray ionization mass spectrometry (ESI-MS). The successful use of the monomer batch as an epoxidation catalyst indicated that a high-valent manganese-oxo species can be formed, although it is probably short-lived. This is also suggested by EPR studies of the species formed by electrochemical oxidation of the complex. Upon one-electron oxidation, a manganese(iv) species was formed, which was at least partly converted to another species containing a phenoxy radical.
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| 5. |
- G., Aad, et al.
(författare)
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Measurement of the tt¯ production cross-section and lepton differential distributions in eμ dilepton events from pp collisions at √s=13TeV with the ATLAS detector
- 2020
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Ingår i: European Physical Journal C. - : Springer Science and Business Media LLC. - 1434-6044 .- 1434-6052. ; 80:6
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Tidskriftsartikel (refereegranskat)abstract
- The inclusive top quark pair (tt¯) production cross-section σtt¯ has been measured in proton–proton collisions at s=13TeV, using 36.1 fb- 1 of data collected in 2015–2016 by the ATLAS experiment at the LHC. Using events with an opposite-charge eμ pair and b-tagged jets, the cross-section is measured to be: σtt¯=826.4±3.6(stat)±11.5(syst)±15.7(lumi)±1.9(beam)pb,where the uncertainties reflect the limited size of the data sample, experimental and theoretical systematic effects, the integrated luminosity, and the LHC beam energy, giving a total uncertainty of 2.4%. The result is consistent with theoretical QCD calculations at next-to-next-to-leading order. It is used to determine the top quark pole mass via the dependence of the predicted cross-section on mtpole, giving mtpole=173.1-2.1+2.0GeV. It is also combined with measurements at s=7TeV and s=8TeV to derive ratios and double ratios of tt¯ and Z cross-sections at different energies. The same event sample is used to measure absolute and normalised differential cross-sections as functions of single-lepton and dilepton kinematic variables, and the results are compared with predictions from various Monte Carlo event generators. © 2020, CERN for the benefit of the ATLAS collaboration.
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| 6. |
- Johansson, A., et al.
(författare)
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Synthesis and photophysics of one mononuclear Mn(III) and one dinuclear Mn(III,III) complex covalently linked to a ruthenium(II) tris(bipyridyl) complex
- 2003
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Ingår i: Inorganic Chemistry. - : American Chemical Society (ACS). - 0020-1669 .- 1520-510X. ; 42, s. 7502-7511
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Tidskriftsartikel (refereegranskat)abstract
- The preparation of donor (D)-photosensitizer (S) arrays, consisting of a manganese complex as D and a ruthenium tris(bipyridyl) complex as S has been pursued. Two new ruthenium complexes containing coordinating sites for one (2a) and two manganese ions (3a) were prepared in order to provide models for the donor side of photosystem II in green plants. The manganese coordinating site consists of bridging and terminal phenolate as well as terminal pyridyl ligands. The corresponding ruthenium-manganese complexes, a manganese monomer 2b and dimer 3b, were obtained. For the dimer 3b, our data suggest that intramolecular electron transfer from manganese to photogenerated ruthenium(III) is fast, k(ET) > 5 x 10(7) s(-1).
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| 7. |
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| 8. |
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| 9. |
- Lundström, Erik, 1964-, et al.
(författare)
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Effects of Fluoxetine on Outcomes at 12 Months After Acute Stroke Results From EFFECTS, a Randomized Controlled Trial
- 2021
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Ingår i: Stroke. - : Ovid Technologies (Wolters Kluwer Health). - 0039-2499 .- 1524-4628. ; 52:10, s. 3082-3087
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Tidskriftsartikel (refereegranskat)abstract
- BACKGROUND AND PURPOSE: The EFFECTS (Efficacy of Fluoxetine-a Randomised Controlled Trial in Stroke) recently reported that 20 mg fluoxetine once daily for 6 months after acute stroke did not improve functional outcome but reduced depression and increased fractures and hyponatremia at 6 months. The purpose of this predefined secondary analysis was to identify if any effects of fluoxetine were maintained or delayed over 12 months. METHODS: EFFECTS was an investigator-led, randomized, placebo-controlled, double-blind, parallel group trial in Sweden that enrolled adult patients with stroke. Patients were randomized to 20 mg oral fluoxetine or matching placebo for 6 months and followed for another 6 months. The primary outcome was functional outcome (modified Rankin Scale), at 6 months. Predefined secondary outcomes for these analyses included the modified Rankin Scale, health status, quality of life, fatigue, mood, and depression at 12 months. RESULTS: One thousand five hundred patients were recruited from 35 centers in Sweden between 2014 and 2019; 750 were allocated fluoxetine and 750 placebo. At 12 months, modified Rankin Scale data were available in 715 (95%) patients allocated fluoxetine and 712 (95%) placebo. The distribution of modified Rankin Scale categories was similar in the 2 groups (adjusted common odds ratio, 0.92 [95% CI, 0.76-1.10]). Patients allocated fluoxetine scored worse on memory with a median value of 89 (interquartile range, 75-100) versus 93 (interquartile range, 82-100); P=0.0021 and communication 93 (interquartile range, 82-100) versus 96 (interquartile range, 86-100); P=0.024 domains of the Stroke Impact Scale compared with placebo. There were no other differences in secondary outcomes. CONCLUSIONS: Fluoxetine after acute stroke had no effect on functional outcome at 12 months. Patients allocated fluoxetine scored worse on memory and communication on the Stroke Impact Scale compared with placebo, but this is likely to be due to chance.
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| 10. |
- Lundström, Erik, Docent, 1964-, et al.
(författare)
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Update on the EFFECTS study of fluoxetine for stroke recovery: a randomised controlled trial in Sweden
- 2020
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Ingår i: Trials. - Uppsala : Springer Science and Business Media LLC. - 1745-6215. ; 21:1
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Tidskriftsartikel (refereegranskat)abstract
- Studies have suggested that fluoxetine might improve neurological recovery after stroke, but the results remain inconclusive. The EFFECTS (Efficacy oF Fluoxetine - a randomisEd Controlled Trial in Stroke) reached its recruitment target of 1500 patients in June 2019. The purpose of this article is to present all amendments to the protocol and describe how we formed the EFFECTS trial collaboration in Sweden. Methods In this investigator-led, multicentre, parallel-group, randomised, placebo-controlled trial, we enrolled non-depressed stroke patients aged 18 years or older between 2 and 15 days after stroke onset. The patients had a clinical diagnosis of stroke (ischaemic or intracerebral haemorrhage) with persisting focal neurological deficits. Patients were randomised to fluoxetine 20 mg or matching placebo capsules once daily for 6 months. Results Seven amendments were made and included clarification of drug interaction between fluoxetine and metoprolol and the use of metoprolol for severe heart failure as an exclusion criterion, inclusion of data from central Swedish registries and the Swedish Stroke Register, changes in informed consent from patients, and clarification of design of some sub-studies. EFFECTS recruited 1500 patients at 35 centres in Sweden between 20 October 2014 and 28 June 2019. We plan to unblind the data in January 2020 and report the primary outcome in May 2020. Conclusion EFFECTS will provide data on the safety and efficacy of 6 months of treatment with fluoxetine after stroke in a Swedish health system setting. The data from EFFECTS will also contribute to an individual patient data meta-analysis.
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