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- O'Shea, J. N., et al.
(författare)
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Molecular ordering in isonicotinic acid on rutile TiO2(110) investigated with valence band photoemission
- 2004
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 121:20, s. 10203-10208
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Tidskriftsartikel (refereegranskat)abstract
- The adsorption of isonicotinic acid on rutile TiO2(110) has been investigated using synchrotron-based valence band photoemission. Structural ordering in multilayer films of the molecules is found to give rise to a strong angular dependence in the valence band intensities when measured using linearly polarized radiation. Molecular ordering in this case is proposed to be induced by intermolecular hydrogen bonding which is found to be highly dependent upon the deposition rate of the isonicotinic acid. Through comparison of the experimental data with density functional calculated valence band spectra of hydrogen-bonded isonicotinic acid molecules, we can account for the angular dependence in terms of the spatial distribution of the molecular orbitals.
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- Lasrado, R., et al.
(författare)
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Developing a management guide (The Dempower App) for couples where one partner has dementia : Nonrandomized feasibility study
- 2021
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Ingår i: JMIR Aging. - : JMIR Publications. - 2561-7605. ; 4:4
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Tidskriftsartikel (refereegranskat)abstract
- Background: Promoting the health and well-being of couples where one partner has dementia is an overlooked area of care practice. Most postdiagnostic services currently lack a couple-centered approach and have a limited focus on the couple relationship. To help address this situation, we developed a tablet-based self-management guide (DemPower) focused on helping couples enhance their well-being and relationship quality. Objective: The aim of this study is to investigate the feasibility and acceptability of the DemPower app. Methods: A nonrandomized feasibility design was used to evaluate the DemPower intervention over 3 months among couples where a partner had a diagnosis of dementia. The study recruited 25 couples in the United Kingdom and 19 couples in Sweden. Outcome measures were obtained at baseline and postintervention. The study process and interventions were evaluated at various stages. Results: The study was completed by 48% (21/44) of couples where one partner had dementia, of whom 86% (18/21) of couples accessed all parts of the DemPower app. Each couple spent an average of 8 hours (SD 3.35 hours) using the app during the study period. In total, 90% (19/21) of couples reported that all sections of DemPower were useful in addressing various aspects of daily life and helped to focus on how they interacted in their relationship. Of the 4 core subjects on which the DemPower app was structured, home and neighborhood received the highest number of visits. Couples used activity sections more often than the core subject pages. The perception of DemPower's utility varied with each couple's lived experience of dementia, geographic location, relationship dynamics, and opportunities for social interaction. A 5.2-point increase in the dementia quality of life score for people with dementia and a marginal increase in the Mutuality scale (+1.23 points) for caregiver spouses were found. Design and navigational challenges were reported in the DemPower app. Conclusions: The findings suggest that the DemPower app is a useful resource for couples where one partner has dementia and that the implementation of the app requires the support of memory clinics to reach couples at early diagnosis.
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- O'Shea, James N, et al.
(författare)
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Molecular damage in bi-isonicotinic acid adsorbed on rutile TiO2(110)
- 2008
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Ingår i: Surface Science. - : Elsevier BV. - 0039-6028. ; 602:9, s. 1693-1698
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Tidskriftsartikel (refereegranskat)abstract
- Here we present the characteristic signatures in X-ray absorption and photoemission spectroscopy for molecular damage in adsorbed monolayers of bi-isonicotinic acid on a rutile TiO2(110) surface. Bi-isonicotinic acid is the anchor ligand through which many important inorganic complexes are bound to the surface of TiO2 in dye-sensitized solar cells. The nature of the damage caused by excessive heating of the adsorbed monolayer is consistent with splitting the molecule into two adsorbed isonicotinic acid molecular fragments. The effect on the lowest unoccupied molecular orbitals (involved in electron transfer in the molecule) can be understood in terms of the adsorption geometry of the reaction products and their nearest neighbor interactions.
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- O'Shea, James N., et al.
(författare)
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Ultra-fast intramolecular vibronic coupling revealed by RIXS and RPES maps of an aromatic adsorbate on TiO2(110)
- 2018
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Ingår i: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 148:20
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Tidskriftsartikel (refereegranskat)abstract
- Two-dimensional resonant inelastic x-ray scattering (RIXS) and resonant photoelectron spectroscopy (RPES) maps are presented for multilayer and monolayer coverages of an aromatic molecule (bi-isonicotinic acid) on the rutile TiO2(110) single crystal surface. The data reveal ultra-fast intramolecular vibronic coupling upon core excitation from the N 1s orbital into the lowest unoccupied molecular orbital (LUMO) derived resonance. In the RIXS measurements, this results in the splitting of the participator decay channel into a purely elastic line which disperses linearly with excitation energy and a vibronic coupling channel at constant emission energy. In the RPES measurements, the vibronic coupling results in a linear shift in binding energy of the participator channel as the excitation is tuned over the LUMO-derived resonance. Localisation of the vibrations on the molecule on the femtosecond time scale results in predominantly inelastic scattering from the core-excited state in both the physisorbed multilayer and the chemisorbed monolayer.
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