| 1. |
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| 2. |
- Nimmrich, Amke, 1995, et al.
(författare)
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Solvent-Dependent Structural Dynamics in the Ultrafast Photodissociation Reaction of Triiodide Observed with Time-Resolved X-ray Solution Scattering
- 2023
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Ingår i: Journal of the American Chemical Society. - : American Chemical Society (ACS). - 0002-7863 .- 1520-5126. ; 145:29, s. 15754-15765
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Tidskriftsartikel (refereegranskat)abstract
- Resolving the structural dynamics of bond breaking, bond formation, and solvation is required for a deeper understanding of solutionphase chemical reactions. In this work, we investigate the photodissociation of triiodide in four solvents using femtosecond time-resolved X-ray solution scattering following 400 nm photoexcitation. Structural analysis of the scattering data resolves the solvent-dependent structural evolution during the bond cleavage, internal rearrangements, solvent-cage escape, and bond reformation in real time. The nature and structure of the reaction intermediates during the recombination are determined, elucidating the full mechanism of photodissociation and recombination on ultrafast time scales. We resolve the structure of the precursor state for recombination as a geminate pair. Further, we determine the size of the solvent cages from the refined structures of the radical pair. The observed structural dynamics present a comprehensive picture of the solvent influence on structure and dynamics of dissociation reactions.
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| 3. |
- Berger, Elisabeth S. C., et al.
(författare)
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Digital or not – The future of entrepreneurship and innovation : Introduction to the special issue
- 2021
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Ingår i: Journal of Business Research. - : Elsevier. - 0148-2963 .- 1873-7978. ; 125, s. 436-442
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Digitization is arguably currently the single most important force in entrepreneurship and innovation. In this special issue editorial, we shed light on the current state of digital entrepreneurship and digital innovation research to take stock of past research and identify opportunities for the future. The 11 papers in this special issue present a decisive step in extending the current research by either exploring the context of digital entrepreneurship and digital innovation, by operationalizing digital technologies as moderators or mediators, or by modeling the particularities of the role of digital technologies as independent or dependent variables. This editorial suggests paths for future research and specifically calls for more joint consideration of digital entrepreneurship and digital innovation along with specific theory building and testing that incorporates the specificities of digitization. An important aspect in that process is extending the understanding of the dark side of digitization.
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| 4. |
- Davidsson, H., et al.
(författare)
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Decentralized ventilation unit for window frame integration
- 2022. - 1
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Ingår i: IOP Conference Series: Earth and Environmental Science. - : IOP Publishing. - 1755-1307 .- 1755-1315. ; 1085, s. 32-32
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Konferensbidrag (refereegranskat)abstract
- Swedish National Board of Housing, Building and Planning reported in "Energi i bebyggelsen"that 80 % of the detached houses in Sweden were under-ventilated, and had a flow of 0.23 l/(s·m2) on average instead of, by the code, required 0,35 l/(s·m2). Well known concerns here are lacking indoor environmental quality and a risk of moisture problems in certain rooms and in the envelope. The naturally ventilated houses have a higher airflow at low outdoor temperatures which increases the energy use for heating. Adding proper ventilation to all Swedish detached houses could according to Besmå's pre-study "Potential för energieffektivisering i småhus (2019)"increase the annual energy need by 5.5 TWh. Many of these use electric heating resulting in a heavy pressure on the electricity production and distribution. One way to solve this problem is to install mechanical ventilation with heat recovery. Installing such system in older houses is however often costly and often carries technical and practical problems. Ducts must be installed in every room in the building, requiring space which often leads to reconstruction of walls and ceilings. Another way to solve this is reinforce the existing ventilation in the house with a decentralised ventilation unit with heat recovery. The technical solution is to mount several smaller ventilation unit with heat recovery in the building skin in order to ventilate individual rooms. The solution does not require any ducts to be installed. This simplifies the installation and reduces the maintenance. In this report we study a decentralised ventilation unit with heat recovery intended to be installed in window frame to lower the cost of the combination of ventilation and window renovation. In this report we measure draft, short-circuiting between inlet and outlet air, air mixing in the room, noise and heat recovery efficiency of the ventilation unit. The results show that no draft and no short-circuit occurs and that the mixing of the air in the room is high and an efficiency of the heat recovery of approximately 70 %.
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| 5. |
- Davidsson, Joel, et al.
(författare)
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Absorption versus adsorption: high-throughput computation of impurities in 2D materials
- 2023
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Ingår i: npj 2D Materials and Applications. - 2397-7132. ; 7:1
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Tidskriftsartikel (refereegranskat)abstract
- Doping of a two-dimensional (2D) material by impurity atoms occurs via two distinct mechanisms: absorption of the dopants by the 2D crystal or adsorption on its surface. To distinguish the relevant mechanism, we systematically dope 53 experimentally synthesized 2D monolayers by 65 different chemical elements in both absorption and adsorption sites. The resulting 17,598 doped monolayer structures were generated using the newly developed ASE DefectBuilder—a Python tool to set up point defects in 2D and bulk materials—and subsequently relaxed by an automated high-throughput density functional theory (DFT) workflow. We find that interstitial positions are preferred for small dopants with partially filled valence electrons in host materials with large lattice parameters. In contrast, adatoms are favored for dopants with a low number of valence electrons due to lower coordination of adsorption sites compared to interstitials. The relaxed structures, characterization parameters, defect formation energies, and magnetic moments (spins) are available in an open database to help advance our understanding of defects in 2D materials.
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| 6. |
- Davidsson, Joel, et al.
(författare)
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Na in diamond: high spin defects revealed by the ADAQ high-throughput computational database
- 2024
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Ingår i: npj Computational Materials. - : NATURE PORTFOLIO. - 2057-3960. ; 10:1
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Tidskriftsartikel (refereegranskat)abstract
- Color centers in diamond are at the forefront of the second quantum revolution. A handful of defects are in use, and finding ones with all the desired properties for quantum applications is arduous. By using high-throughput calculations, we screen 21,607 defects in diamond and collect the results in the ADAQ database. Upon exploring this database, we find not only the known defects but also several unexplored defects. Specifically, defects containing sodium stand out as particularly relevant because of their high spins and predicted improved optical properties compared to the NV center. Hence, we studied these in detail, employing high-accuracy theoretical calculations. The single sodium substitutional (NaC) has various charge states with spin ranging from 0.5 to 1.5, ZPL in the near-infrared, and a high Debye-Waller factor, making it ideal for biological quantum applications. The sodium vacancy (NaV) has a ZPL in the visible region and a potential rare spin-2 ground state. Our results show sodium implantation yields many interesting spin defects that are valuable additions to the arsenal of point defects in diamond studied for quantum applications.
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| 7. |
- Davidsson, Pia, et al.
(författare)
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Vascular endothelial growth factor-D plasma levels and VEGFD genetic variants are independently associated with outcomes in patients with cardiovascular disease
- 2023
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Ingår i: Cardiovascular Research. - : Oxford University Press. - 0008-6363 .- 1755-3245. ; 119:7, s. 1596-1605
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Tidskriftsartikel (refereegranskat)abstract
- Aims The vascular endothelial growth factor (VEGF) family is involved in pathophysiological mechanisms underlying cardiovascular (CV) diseases. The aim of this study was to investigate the associations between circulating VEGF ligands and/or soluble receptors and CV outcome in patients with acute coronary syndrome (ACS) and chronic coronary syndrome (CCS).Methods and results Levels of VEGF biomarkers, including bFGF, Flt-1, KDR (VEGFR2), PlGF, Tie-2, VEGF-A, VEGF-C, and VEGF-D, were measured in the PLATO ACS cohort (n = 2091, discovery cohort). Subsequently, VEGF-D was also measured in the STABILITY CCS cohort (n = 4015, confirmation cohort) to verify associations with CV outcomes. Associations between plasma VEGF-D and outcomes were analysed by multiple Cox regression models with hazard ratios (HR [95% CI]) comparing the upper vs. the lower quartile of VEGF-D. Genome-wide association study (GWAS) of VEGF-D in PLATO identified SNPs that were used as genetic instruments in Mendelian randomization (MR) meta-analyses vs. clinical endpoints. GWAS and MR were performed in patients with ACS from PLATO (n = 10 013) and FRISC-II (n = 2952), and with CCS from the STABILITY trial (n = 10 786). VEGF-D, KDR, Flt-1, and PlGF showed significant association with CV outcomes. VEGF-D was most strongly associated with CV death (P = 3.73e-05, HR 1.892 [1.419, 2.522]). Genome-wide significant associations with VEGF-D levels were identified at the VEGFD locus on chromosome Xp22. MR analyses of the combined top ranked SNPs (GWAS P-values; rs192812042, P = 5.82e-20; rs234500, P = 1.97e-14) demonstrated a significant effect on CV mortality [P = 0.0257, HR 1.81 (1.07, 3.04) per increase of one unit in log VEGF-D].Conclusion This is the first large-scale cohort study to demonstrate that both VEGF-D plasma levels and VEGFD genetic variants are independently associated with CV outcomes in patients with ACS and CCS. Measurements of VEGF-D levels and/or VEGFD genetic variants may provide incremental prognostic information in patients with ACS and CCS.
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| 8. |
- Dods, Robert, 1989, et al.
(författare)
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Ultrafast structural changes within a photosynthetic reaction centre.
- 2021
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Ingår i: Nature. - : Springer Science and Business Media LLC. - 1476-4687 .- 0028-0836. ; 589:7841, s. 310-314
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Tidskriftsartikel (refereegranskat)abstract
- Photosynthetic reaction centres harvest the energy content of sunlight by transporting electrons across an energy-transducing biological membrane. Here we use time-resolved serial femtosecond crystallography1 using an X-ray free-electron laser2 to observe light-induced structural changes in the photosynthetic reaction centre of Blastochloris viridis on a timescale of picoseconds. Structural perturbations first occur at the special pair of chlorophyll molecules of the photosynthetic reaction centre that are photo-oxidized by light. Electron transfer to the menaquinone acceptor on the opposite side of the membrane induces a movement of this cofactor together with lower amplitude protein rearrangements. These observations reveal how proteins use conformational dynamics to stabilize the charge-separation steps of electron-transfer reactions.
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| 9. |
- Dorofte, L, 1982-, et al.
(författare)
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Reliability of histological subtyping of penile squamous cell carcinoma in assessing HPV tumour status
- 2022
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Ingår i: Virchows Archiv. - : Springer. - 0945-6317 .- 1432-2307. ; 481:Suppl. 1, s. S168-S168
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Background & objectives: HPV-positive penile tumours have been associated with higher survival rates. However, HPV analysis is unavailable in many low-income countries. We investigated if histological assessment of penile squamous cell carcinoma subtypes can replace HPV testing in determining HPV-related/non-HPV-related tumour status.Methods: We reviewed paraffin-embedded tumour tissue from 345 penile cancer patients, surgically treated between 2009 and 2018 at Örebro University Hospital, Sweden. The histological subtype of squamous cell carcinoma was assessed according to the WHO criteria and ISUP recommendations. HPV-DNA genotyping was performed using the PCR method Anyplex II HPV28. Concordance was assessed by calculating Cohen’s kappa (κ).Results: A good concordance was found between histological subtype of squamous cell carcinoma and HPV tumour-status with a Cohen’s kappa (κ) of 0,72 corresponding to 86,6% agreement. Of the 46 discordant cases, five had HPV-related histology (mixed subtypes) but were HPV-negative. The remaining 41 cases had non-HPV- related histology (85% usual subtype, 15% mixed subtypes) but were HPV-positive. Noteworthy is that in 21 of the cases with non-HPV-related histology, foci of undifferentiated PeIN was found. In addition, four cases with both undifferentiated PeIN and lichen sclerosus et atrophicus in the tumour margin, 14 cases with both differentiated PeIN and lichen sclerosus et atrophicus and two cases without preneoplastic lesion were identified.Conclusion: Good concordance between histological subtype of penile squamous cell carcinoma and HPV genotyping shows that when necessary, histological assessment is a good alternative, at least in less resourceful settings, to PCR-based HPV analysis in determining if penile tumours are HPV or non-HPV-related. Discordant cases most likely depend on subjectivity in histological assessment but can also suggest a HPV infection in a non-HPV-related tumour.
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| 10. |
- Glombik, D, 1988-, et al.
(författare)
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Morbidity following lymphadenectomy for penile cancer in a Swedish national cohort
- 2022
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Ingår i: European Urology. - : Elsevier. - 0302-2838 .- 1873-7560. ; 81:Suppl. 1, s. S1024-S1024
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Tidskriftsartikel (övrigt vetenskapligt/konstnärligt)abstract
- Introduction & Objectives: To assess the rate of postoperative infectious and thromboembolic complications associated with inguinal (ILND) and pelvic (PLND) lymph node dissection in penile cancer and identify clinical and pathological predictors for the development of these complications.Materials & Methods: A total of 364 men subjected to ILND with or without PLND for squamous cell carcinoma of the penis between 2000 and 2012 were identified through the Swedish National Penile Cancer Register. Each patient was matched based on age and county of residence with 6 penile cancer-free men. The Swedish cancer and population registers were used to retrieve information about treatment and hospitalization for infections of the lower limbs, groins, genitalia, trunk and various septic conditions as well as thromboembolic events based on ICD-10 codes for each event. Hazard ratios (HRs) with 95% confidence intervals (CIs) were calculated using Cox proportional hazard models with multiple imputation to assess the effects of different variables. The net hazard rates of outcomes were estimated using a flexible parametric model.Results: The risk to suffer from infectious events remained increased up to 6 years postoperatively in penile cancer patients who underwent ILND in comparison to the matched controls. Palpable nodal disease was the only predictor of increased risk of infectious complications. The risk tends to increase with the cN stage, with a HR of 1.65 (95% CI 0.98-2.77) for cN1, 1.93 (95% CI 1.14-3.29) for cN2 and 2.62 (95% CI 1.41-4.88) for cN3 disease. Risks for the first, third and sixth postoperative year were assessed with HRs of 8.87 (95% CI 5.36-14.66), 4.20 (95% CI 2.77-6.35) and 1.83 (95% CI 0.96-3.46) respectively. The increased risk of thromboembolic events persisted up to 3 years postoperatively, HRs for the first and third postoperative year were 13.51 (95% CI 6.53-27.93) respectively 2.12 (95% CI 1.07-4.20). The results correspond well with the over-prescription of anticoagulants observed during this period. An association with bulky disease was observed, with a HR of 3.81 (95% CI 1.10-13.17) for cN3 stage. PLND did not add any excessive risks for either infectious or thromboembolic events.Conclusions: Based on data from nationwide registers of high quality and completeness, we could assess postoperative morbidity after lymphadenectomy for penile cancer with follow-up length ranging up to 12 years. Patients with palpable nodal disease are at increased risk of infectious complications up to 6 years postoperatively. The risk of thromboembolic complications was increased during first 3 postoperative years. Patients and care givers need to be aware of the increased risk of these complications and preventive measures should be considere
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