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  • 1
    Language: English
    In: Journal of the American Chemical Society, 19 June 2013, Vol.135(24), pp.8857-67
    Description: Solvation effects on chemical reactivity are often rationalized using electrostatic considerations: the reduced stabilization of the transition state results in higher reaction barriers and lower reactivity in solution. We demonstrate that the effect of solvation on the relative energies of the frontier orbitals is equally important and may even reverse the trend expected from purely electrostatic arguments. We consider the H abstraction reaction from methane by quintet [EDTAH(n)·FeO]((n-2)+), (n = 0-4) complexes in the gas phase and in aqueous solution, which we examine using ab initio thermodynamic integration. The variation of the charge of the complex with the protonation of the EDTA ligand reveals that the free energy barrier in gas phase increases with the negative charge, varying from 16 kJ mol(-1) for [EDTAH4·FeO](2+) to 57 kJ mol(-1) for [EDTAHn·FeO](2-). In aqueous solution, the barrier for the +2 complex (38 kJ mol(-1)) is higher than in gas phase, as predicted by purely electrostatic arguments. For the negative complexes, however, the barrier is lower than in gas phase (e.g., 45 kJ mol(-1) for the -2 complex). We explain this increase in reactivity in terms of a stabilization of the virtual 3σ* orbital of FeO(2+), which acts as the dominant electron acceptor in the H-atom transfer from CH4. This stabilization originates from the dielectric screening caused by the reorientation of the water dipoles in the first solvation shell of the charged solute, which stabilizes the acceptor orbital energy for the -2 complex sufficiently to outweigh the unfavorable electrostatic destabilization of the transition-state relative to the reactants in solution.
    Keywords: Hydroxylation -- Analysis ; Iron Compounds -- Chemical Properties ; Iron Compounds -- Thermal Properties ; Molecular Dynamics -- Analysis ; Surface Energy -- Measurement;
    ISSN: 00027863
    E-ISSN: 1520-5126
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  • 2
    Language: English
    In: Epilepsia, July, 2011, Vol.52, p.20(5)
    Description: To authenticate to the full-text of this article, please visit this link: http://dx.doi.org/10.1111/j.1528-1167.2011.03146.x Byline: Andrea Bernasconi, Neda Bernasconi Keywords: Magnetic resonance imaging; Image processing; Computer modeling Abstract: Summary Magnetic resonance imaging (MRI) is a pivotal component in the investigation of patients with any form of epilepsy because of its unmatched ability in visualizing structural brain pathology. The MRI signature of newly diagnosed epilepsy is not yet fully defined, mainly because of the lack of a cohesive methodology to evaluate structural changes in the early stages of the disease. By revealing subtle lesions that previously eluded visual inspection in patients with drug-resistant epilepsy, quantitative computer-assisted image analysis has clearly demonstrated increased sensitivity and diagnostic accuracy compared to conventional techniques. Therefore, the application of image processing methods in patients with newly diagnosed epilepsy promises to reduce the trial-error period in potential surgical candidates, provide solid biomarkers for monitoring the disease and identifying treatment responders. A clearer understanding of brain pathology at the early stages of the disorder will help clinicians to develop better criteria for identifying patients who are at risk of secondary brain damage and for timely intervention that achieves seizure control. Article note: Address correspondence to Andrea Bernasconi, M.D., Montreal Neurological Institute, 3801 University Street, Montreal, QC H3A 2B4, Canada. E-mail: andrea.bernasconi@mcgill.ca
    Keywords: Brain Damage ; Image Processing ; Image Processing Equipment Industry ; Epilepsy
    ISSN: 0013-9580
    Source: Cengage Learning, Inc.
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  • 3
    Language: English
    In: Epilepsia, July, 2011, Vol.52, p.20(5)
    Description: To authenticate to the full-text of this article, please visit this link: http://dx.doi.org/10.1111/j.1528-1167.2011.03146.x Byline: Andrea Bernasconi, Neda Bernasconi Keywords: Magnetic resonance imaging; Image processing; Computer modeling Abstract: Summary Magnetic resonance imaging (MRI) is a pivotal component in the investigation of patients with any form of epilepsy because of its unmatched ability in visualizing structural brain pathology. The MRI signature of newly diagnosed epilepsy is not yet fully defined, mainly because of the lack of a cohesive methodology to evaluate structural changes in the early stages of the disease. By revealing subtle lesions that previously eluded visual inspection in patients with drug-resistant epilepsy, quantitative computer-assisted image analysis has clearly demonstrated increased sensitivity and diagnostic accuracy compared to conventional techniques. Therefore, the application of image processing methods in patients with newly diagnosed epilepsy promises to reduce the trial-error period in potential surgical candidates, provide solid biomarkers for monitoring the disease and identifying treatment responders. A clearer understanding of brain pathology at the early stages of the disorder will help clinicians to develop better criteria for identifying patients who are at risk of secondary brain damage and for timely intervention that achieves seizure control. Article note: Address correspondence to Andrea Bernasconi, M.D., Montreal Neurological Institute, 3801 University Street, Montreal, QC H3A 2B4, Canada. E-mail: andrea.bernasconi@mcgill.ca
    Keywords: Brain Damage ; Image Processing ; Image Processing Equipment Industry ; Epilepsy
    ISSN: 0013-9580
    Source: Cengage Learning, Inc.
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  • 4
    Language: English
    In: Sociology, October 2010, Vol.44(5), pp.860-875
    Description: Scholars have interpreted changes in sexual discourses from behaviouralist and structuralist perspectives, in the context of social movements, as expressions of power relations, among other approaches. This ar ticle advocates the study of shifting discourses of sexualities from the viewpoint of transformations in individuals’ moral orientations over time. To this end, thematically, the article recovers Foucault’s view of sexuality as a field of moral self-formation; conceptually, it follows Taylor and examines selfhood through the person’s moral sources. The article uses this framework to observe reformulations in sexual narratives across three generations of Chilean women. From grandmothers’ stories to granddaughters’ accounts, this analysis identifies a deactivation of the equation between being a ‘good woman’ and sexual disengagement. This movement reveals a change in the moral principle regulating Chilean women’s sexualities (from a morality of decency to one of authenticity) and a displacement of moral authority from the community to the person.
    Keywords: Generations ; Life Stories ; Morality ; Narratives ; Selfhood ; Sexuality ; Sociology & Social History
    ISSN: 0038-0385
    E-ISSN: 1469-8684
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  • 5
    Language: English
    In: European Journal of Operational Research, 01 February 2014, Vol.232(3), pp.584-592
    Description: We study various methods of aggregating individual judgments and individual priorities in group decision making with the AHP. The focus is on the empirical properties of the various methods, mainly on the extent to which the various aggregation methods represent an accurate approximation of the priority vector of interest. We identify five main classes of aggregation procedures which provide identical or very similar empirical expressions for the vectors of interest. We also propose a method to decompose in the AHP response matrix distortions due to random errors and perturbations caused by cognitive biases predicted by the mathematical psychology literature. We test the decomposition with experimental data and find that perturbations in group decision making caused by cognitive distortions are more important than those caused by random errors. We propose methods to correct the systematic distortions.
    Keywords: Group Decisions ; Matrix Differentials ; Separable Representations ; Cognitive Distortions ; Engineering ; Business ; Computer Science
    ISSN: 0377-2217
    E-ISSN: 1872-6860
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  • 6
    Language: English
    In: Epilepsia, July 2011, Vol.52 Suppl 4, pp.20-4
    Description: Magnetic resonance imaging (MRI) is a pivotal component in the investigation of patients with any form of epilepsy because of its unmatched ability in visualizing structural brain pathology. The MRI signature of newly diagnosed epilepsy is not yet fully defined, mainly because of the lack of a cohesive methodology to evaluate structural changes in the early stages of the disease. By revealing subtle lesions that previously eluded visual inspection in patients with drug-resistant epilepsy, quantitative computer-assisted image analysis has clearly demonstrated increased sensitivity and diagnostic accuracy compared to conventional techniques. Therefore, the application of image processing methods in patients with newly diagnosed epilepsy promises to reduce the trial-error period in potential surgical candidates, provide solid biomarkers for monitoring the disease and identifying treatment responders. A clearer understanding of brain pathology at the early stages of the disorder will help clinicians to develop better criteria for identifying patients who are at risk of secondary brain damage and for timely intervention that achieves seizure control.
    Keywords: Brain -- Pathology ; Epilepsy -- Diagnosis ; Image Enhancement -- Methods
    E-ISSN: 1528-1167
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  • 7
    In: Brain, 2017, Vol. 140(10), pp.2525-2527
    Description: This scientific commentary refers to ‘Anatomic consistencies across epilepsies: a stereotactic-EEG informed high-resolution structural connectivity study’, by Besson et al. (doi: 10.1093/brain/awx181 ).
    Keywords: Connectome ; Electroencephalography ; Epilepsy ; Humans ; Models, Neurological ; Nerve Net ; Abridged;
    ISSN: 0006-8950
    E-ISSN: 1460-2156
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  • 8
    In: Brain, 2016, Vol. 139(9), pp.2336-2337
    Description: This scientific commentary refers to ‘Hyperphosphorylated tau in patients with refractory epilepsy correlates with cognitive decline: a study of temporal lobe resections’, by Tai et al. (doi: 10.1093/brain/aww187 ) .
    Keywords: Epilepsy ; Neurodegenerative Diseases;
    ISSN: 0006-8950
    E-ISSN: 1460-2156
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  • 9
    Language: English
    In: Journal of Economic Psychology, Feb, 2014, Vol.40, p.103(16)
    Description: To link to full-text access for this article, visit this link: http://dx.doi.org/10.1016/j.joep.2013.01.005 Byline: Michele Bernasconi, Luca Corazzini, Raffaello Seri Keywords: Tax evasion; Prospect theory; Adaptation Abstract: a* People's decisions to evade depend on how they adapt the level of fiscal pressure. a* With adaptation, people respond to changes of the tax rates, not to their levels. a* Moreover, people may adapt asymmetrically to tax increases versus tax cuts. a* Experimental evidence supports the prediction of the model with adaptation. Article History: Received 30 December 2011; Revised 30 November 2012; Accepted 21 January 2013
    Keywords: Tax Evasion -- Analysis ; Taxation -- Analysis
    ISSN: 0167-4870
    Source: Cengage Learning, Inc.
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  • 10
    Language: English
    In: Journal of Economic Psychology, Feb, 2014, Vol.40, p.103(16)
    Description: To link to full-text access for this article, visit this link: http://dx.doi.org/10.1016/j.joep.2013.01.005 Byline: Michele Bernasconi, Luca Corazzini, Raffaello Seri Keywords: Tax evasion; Prospect theory; Adaptation Abstract: a* People's decisions to evade depend on how they adapt the level of fiscal pressure. a* With adaptation, people respond to changes of the tax rates, not to their levels. a* Moreover, people may adapt asymmetrically to tax increases versus tax cuts. a* Experimental evidence supports the prediction of the model with adaptation. Article History: Received 30 December 2011; Revised 30 November 2012; Accepted 21 January 2013
    Keywords: Tax Evasion -- Analysis ; Taxation -- Analysis
    ISSN: 0167-4870
    Source: Cengage Learning, Inc.
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