| 1. |
- Bettini, Eleonora, et al.
(författare)
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Influence of metal carbides on dissolution behavior of biomedical CoCrMo alloy : SEM, TEM and AFM studies
- 2011
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Ingår i: Electrochimica Acta. - : Elsevier BV. - 0013-4686 .- 1873-3859. ; 56:25, s. 9413-9419
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Tidskriftsartikel (refereegranskat)abstract
- The influence of precipitate carbides on dissolution tendency and behavior of a biomedical CoCrMo alloy was investigated at microscopic scale. SEM/EDS, TEM/EDS and XRD were performed to characterize crystallographic structure and composition of different precipitate carbides. Scanning Kelvin probe force microscope (SKPFM) was used to evaluate relative nobility of the carbides. In addition to polarization curves, in situ electrochemical AFM (EC-AFM) measurements were performed to investigate the effect of the carbides on local dissolution processes. SEM/EDS, TEM/EDS and XRD characterizations showed non-uniform structure and composition of Cr and Mo carbides. SKPFM analysis suggested the carbide boundaries as preferential sites for corrosion/dissolution process. Cyclic polarization curves of the alloy in phosphate-buffered saline (PBS) solution showed a large current density increase above a certain potential, but only a small hysteresis loop during reverse scan. No noticeable pitting corrosion was observed by SEM after the experiments. In situ AFM images of the sample in PBS showed a stable surface at potentials in the passive region and around the potential corresponding to the current increase and slight etching-like dissolution around the carbides at higher potentials. Carbide boundaries are preferential sites for metal dissolution and carbides with non-uniform composition might exhibit different dissolution rates.
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| 2. |
- Norrby, Magnus, et al.
(författare)
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Molecular Rift: Virtual Reality for Drug Designers
- 2015
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Ingår i: Journal of Chemical Information and Modeling. - : American Chemical Society (ACS). - 1549-960X .- 1549-9596. ; 55:11, s. 2475-2484
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Tidskriftsartikel (refereegranskat)abstract
- Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub.
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