| 1. |
- Hollestelle, Antoinette, et al.
(författare)
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No clinical utility of KRAS variant rs61764370 for ovarian or breast cancer
- 2016
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Ingår i: Gynecologic Oncology. - : Elsevier BV. - 0090-8258 .- 1095-6859. ; 141:2, s. 386-401
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Tidskriftsartikel (refereegranskat)abstract
- Objective Clinical genetic testing is commercially available for rs61764370, an inherited variant residing in a KRAS 3′ UTR microRNA binding site, based on suggested associations with increased ovarian and breast cancer risk as well as with survival time. However, prior studies, emphasizing particular subgroups, were relatively small. Therefore, we comprehensively evaluated ovarian and breast cancer risks as well as clinical outcome associated with rs61764370. Methods Centralized genotyping and analysis were performed for 140,012 women enrolled in the Ovarian Cancer Association Consortium (15,357 ovarian cancer patients; 30,816 controls), the Breast Cancer Association Consortium (33,530 breast cancer patients; 37,640 controls), and the Consortium of Modifiers of BRCA1 and BRCA2 (14,765 BRCA1 and 7904 BRCA2 mutation carriers). Results We found no association with risk of ovarian cancer (OR = 0.99, 95% CI 0.94-1.04, p = 0.74) or breast cancer (OR = 0.98, 95% CI 0.94-1.01, p = 0.19) and results were consistent among mutation carriers (BRCA1, ovarian cancer HR = 1.09, 95% CI 0.97-1.23, p = 0.14, breast cancer HR = 1.04, 95% CI 0.97-1.12, p = 0.27; BRCA2, ovarian cancer HR = 0.89, 95% CI 0.71-1.13, p = 0.34, breast cancer HR = 1.06, 95% CI 0.94-1.19, p = 0.35). Null results were also obtained for associations with overall survival following ovarian cancer (HR = 0.94, 95% CI 0.83-1.07, p = 0.38), breast cancer (HR = 0.96, 95% CI 0.87-1.06, p = 0.38), and all other previously-reported associations. Conclusions rs61764370 is not associated with risk of ovarian or breast cancer nor with clinical outcome for patients with these cancers. Therefore, genotyping this variant has no clinical utility related to the prediction or management of these cancers.
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| 2. |
- Kaplan, Bartek, et al.
(författare)
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Thermodynamic analysis of the Co-Cr-C system
- 2014
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Ingår i: Calphad. - : Elsevier BV. - 0364-5916 .- 1873-2984. ; 46, s. 226-236
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Tidskriftsartikel (refereegranskat)abstract
- A reassessment of the thermodynamic description of the Co-Cr-C system was performed to take into account recent experimental information on the solubility of Co in Cr-based carbides. Density Functional Theory (DFT) calculations coupled with phonon calculations were performed to calculate the heat capacity and Gibbs energies of formation of stable and metastable carbides in the Co-Cr-C system as a function of temperature, within the limits of the Harmonic or the Quasi Harmonic Approximation. Resulting Gibbs energies were compared with earlier experimental studies and assessments, where calculated values for Cr23C6, Cr7C3 and Cr3C2 from the present work were seen to fall within the experimental scatter. The calculated heat capacity and Gibbs energy of formation as a function of temperature for the metastable Co3C2 compound together with recent experimental information was used in the evaluation of the thermodynamic parameters. As a result, the new and improved thermodynamic description accounts for the solubility of Co in M3C2 in contrast to previous descriptions, where this was neglected due to a complete lack of experimental information. Furthermore, a better representation of previously reported liquidus temperatures was achieved, without increasing the number of parameters in the liquid phase. Other relevant features of the phase diagram and thermochemical properties were also well represented.
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| 3. |
- Ahuja, Rajeev, et al.
(författare)
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Relativity and the lead–acid battery
- 2011
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 106:1, s. 018301-
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Tidskriftsartikel (refereegranskat)abstract
- The energies of the solid reactants in the lead-acid battery are calculated ab initio using two different basis sets at nonrelativistic, scalar-relativistic, and fully relativistic levels, and using several exchange-correlation potentials. The average calculated standard voltage is 2.13 V, compared with the experimental value of 2.11 V. All calculations agree in that 1.7-1.8 V of this standard voltage arise from relativistic effects, mainly from PbO2 but also from PbSO4.
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| 4. |
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| 5. |
- Araujo, Carlos Moyses, et al.
(författare)
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Disorder-induced Room Temperature Ferromagnetism in Glassy Chromites
- 2014
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Ingår i: Scientific Reports. - : Springer Science and Business Media LLC. - 2045-2322. ; 4, s. 4686-
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Tidskriftsartikel (refereegranskat)abstract
- We report an unusual robust ferromagnetic order above room temperature upon amorphization of perovskite [YCrO3] in pulsed laser deposited thin films. This is contrary to the usual expected formation of a spin glass magnetic state in the resulting disordered structure. To understand the underlying physics of this phenomenon, we combine advanced spectroscopic techniques and first-principles calculations. We find that the observed order-disorder transformation is accompanied by an insulator-metal transition arising from a wide distribution of Cr-O-Cr bond angles and the consequent metallization through free carriers. Similar results also found in YbCrO3-films suggest that the observed phenomenon is more general and should, in principle, apply to a wider range of oxide systems. The ability to tailor ferromagnetic order above room temperature in oxide materials opens up many possibilities for novel technological applications of this counter intuitive effect.
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| 6. |
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| 7. |
- Arvidsson, Anna K, 1971-, et al.
(författare)
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Dynamisk prognosstyrd vinterväghållning – fas 3 & 4 : restsaltmodeller och automatisk saltspridning
- 2021
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Rapport (övrigt vetenskapligt/konstnärligt)abstract
- I ett föränderligt klimat där allt större krav ställs på väghållare och vinterdriftsentreprenörer att åstadkomma en för trafikanterna acceptabel vintersdriftstandard samtidigt som de ekonomiska resurserna blir alltmer begränsade, ökar behoven av kostnadseffektiva metoder. Prognosstyrd dynamisk vägdrift har visat sig kunna leda till en ökad produktivitet då väglagsprognoser integreras med ruttoptimering. Ett sätt att vidareutveckla väglagsprognoserna är att veta hur mycket salt som behövs på vägen, eller mer exakt, hur mycket salt finns kvar? Om det redan finns salt på vägen, behöver du inte sprida hela mängden, det kan räcka med hälften eller ännu mindre. Restsaltmätningar har gjorts under tre vintersäsonger vid Testsite E18. Platsen valdes eftersom den är utrustad med flera olika sensorer, monterade över, bredvid och i vägen. Salt mättes var trettionde centimeter tvärs över vägens två körfält. Av 9 mätningar var det bara 5 tillfällen med salt varav två av dem saltades enbart för våra mätningar, kvar var tre mätningar med vinterförhållanden. Alla mätningar som gjordes jämfördes med sensorer monterade på testplatsen för att jämföra hur väl en sensor representerar vägytan. Det visade sig att det generellt var väldigt låga saltvärden från de monterade sensorerna jämfört med de manuella mätningarna.
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| 8. |
- Berseth, P. A., et al.
(författare)
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Carbon Nanomaterials as Catalysts for Hydrogen Uptake and Release in NaAlH4
- 2009
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Ingår i: Nano letters (Print). - : American Chemical Society (ACS). - 1530-6984 .- 1530-6992. ; 9:4, s. 1501-1505
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Tidskriftsartikel (refereegranskat)abstract
- A synergistic approach involving experiment and first-principles theory not only shows that carbon nanostructures can be used as catalysts for hydrogen uptake and release in complex metal hydrides such as sodium alanate, NaAlH4, but also provides an unambiguous understanding of how the catalysts work. Here we show that the stability of NaAlH4 originates with the charge transfer from Na to the AlH4 moiety, resulting in an ionic bond between Na+ and AlH4- and a covalent bond between Al and H. Interaction of NaAlH4 with an electronegative substrate such as carbon fullerene or nanotube affects the ability of Na to donate its charge to AlH4, consequently weakening the Al-H bond and causing hydrogen to desorb at lower temperatures as well as facilitating the absorption of H-2 to reverse the dehydrogenation reaction. In addition, based on our experimental observations and theoretical calculations it appears the curvature of the carbon nanostructure plays a role in the catalytic process. Ab initio molecular dynamics simulation further reveals the time evolution of the charge transfer process.
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| 9. |
- Bigdeli, Sedigheh, et al.
(författare)
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DFT based calculations of thermodynamic properties for paramagnetic bcc-Mn at high temperatures
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Annan publikation (övrigt vetenskapligt/konstnärligt)abstract
- In developing the third generation of Calphad databases, density-functional-theory methods are particularly important for validating physical models and for providing input data where experiment is unavailable. Since Cal-phad modelling needs data at finite temperatures additional sampling tech-niques are required, and the recently developed TU-TILD method is one such technique that allows for an efficient and accurate calculation of free energies. It is used in the present work for the complicated paramagnetic bcc phase of Mn. Our results show a good agreement with experimental data, validating that this method is well suited for calculating thermody-namic properties of magnetically complex and dynamically unstable phases as needed for Calphad modelling. It is also shown that a transition from bcc to the ω phase occurs below 1200 K.
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