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- Glasbey, JC, et al.
(författare)
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- 2021
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swepub:Mat__t
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- Tabiri, S, et al.
(författare)
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- 2021
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swepub:Mat__t
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- Khatri, C, et al.
(författare)
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Outcomes after perioperative SARS-CoV-2 infection in patients with proximal femoral fractures: an international cohort study
- 2021
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Ingår i: BMJ open. - : BMJ. - 2044-6055. ; 11:11, s. e050830-
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Tidskriftsartikel (refereegranskat)abstract
- Studies have demonstrated high rates of mortality in people with proximal femoral fracture and SARS-CoV-2, but there is limited published data on the factors that influence mortality for clinicians to make informed treatment decisions. This study aims to report the 30-day mortality associated with perioperative infection of patients undergoing surgery for proximal femoral fractures and to examine the factors that influence mortality in a multivariate analysis.SettingProspective, international, multicentre, observational cohort study.ParticipantsPatients undergoing any operation for a proximal femoral fracture from 1 February to 30 April 2020 and with perioperative SARS-CoV-2 infection (either 7 days prior or 30-day postoperative).Primary outcome30-day mortality. Multivariate modelling was performed to identify factors associated with 30-day mortality.ResultsThis study reports included 1063 patients from 174 hospitals in 19 countries. Overall 30-day mortality was 29.4% (313/1063). In an adjusted model, 30-day mortality was associated with male gender (OR 2.29, 95% CI 1.68 to 3.13, p<0.001), age >80 years (OR 1.60, 95% CI 1.1 to 2.31, p=0.013), preoperative diagnosis of dementia (OR 1.57, 95% CI 1.15 to 2.16, p=0.005), kidney disease (OR 1.73, 95% CI 1.18 to 2.55, p=0.005) and congestive heart failure (OR 1.62, 95% CI 1.06 to 2.48, p=0.025). Mortality at 30 days was lower in patients with a preoperative diagnosis of SARS-CoV-2 (OR 0.6, 95% CI 0.6 (0.42 to 0.85), p=0.004). There was no difference in mortality in patients with an increase to delay in surgery (p=0.220) or type of anaesthetic given (p=0.787).ConclusionsPatients undergoing surgery for a proximal femoral fracture with a perioperative infection of SARS-CoV-2 have a high rate of mortality. This study would support the need for providing these patients with individualised medical and anaesthetic care, including medical optimisation before theatre. Careful preoperative counselling is needed for those with a proximal femoral fracture and SARS-CoV-2, especially those in the highest risk groups.Trial registration numberNCT04323644
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5. |
- Bravo, L, et al.
(författare)
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- 2021
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swepub:Mat__t
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8. |
- Abdelgaid, Mona, et al.
(författare)
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Multiscale modeling reveals aluminum nitride as an efficient propane dehydrogenation catalyst
- 2023
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Ingår i: Catalysis Science and Technology. - 2044-4753 .- 2044-4761. ; 13:12, s. 3527-3536
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Tidskriftsartikel (refereegranskat)abstract
- Nonoxidative propane dehydrogenation (PDH) is a promising route to meet the steadily increasing demand for propylene, an important building block in the chemical industry. Wurtzite group-IIIA metal nitrides are potential catalysts for PDH with high chemical, thermal, and mechanical stability alongside inherent Lewis acid-base properties that can activate the C-H bond of alkanes. Herein, we investigate the catalytic behavior of pristine (AlN) and gallium-doped (Ga/AlN) aluminum nitride for PDH via concerted and various stepwise mechanisms using density functional theory (DFT) calculations and microkinetic modeling (MKM). The reaction profiles investigated with DFT calculations are used in MKM, which reveals that the stepwise mechanisms produce >99% of propylene on both AlN and Ga/AlN. AlN has approximately one order of magnitude higher activity than Ga/AlN due to lower barriers along the dominant PDH reaction pathway. In summary, we propose the potential application of AlN as an efficient dehydrogenation catalyst for the conversion of light alkanes into valuable olefins. In addition, we show that multiscale simulations are essential to evaluate the catalytic behavior of complex alkane conversion reaction networks and obtain activity trends for dehydrogenation catalysts.
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9. |
- Hong, Sungil, et al.
(författare)
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First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts
- 2023
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Ingår i: Catalysis Science and Technology. - 2044-4753 .- 2044-4761. ; 13:24, s. 6999-7010
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Tidskriftsartikel (refereegranskat)abstract
- Catalytic conversion of CH4 to transportable liquid hydrocarbons via partial oxidation is a promising avenue towards efficient utilization of natural gas. Single Fe atoms on N-functionalized graphene (FeN4/GN) have recently been shown to be active for partial CH4 oxidation with H2O2 at room temperature. Here, density functional theory (DFT) calculations combined with mean-field microkinetic modeling (MKM) have been applied to obtain kinetic understanding of partial CH4 oxidation with H2O2 to CH3OH and CH3OOH over FeN4/GN. CH3OH and CH3OOH are found to be minor and major reaction products, respectively, with a selectivity in agreement with reported experimental data. The kinetic modeling reveals two pathways for CH3OH production together with a dominant catalytic cycle for CH3OOH formation. The selectivity is found to be sensitive to the temperature and H2O2 concentration, with the CH3OH selectivity increasing with increasing temperature and decreasing H2O2 concentration. Turnover frequencies of both CH3OH and CH3OOH are found to decrease over time, due to a change in the Fe formal oxidation state from +6 to +4; Fe(+6) is more active, but less stable than Fe(+4). The present work unravels the detailed reaction mechanism for partial oxidation of methane by FeN4/GN, rationalizes experimental observations and provides guidance for efficient room-temperature methane conversion by single-atom Fe-catalysts.
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