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| 2. |
- Larsen, Simon R., et al.
(författare)
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Sample cell for studying liquid interfaces with an in situ electric field using X-ray reflectivity and application to clay particles at oil–oil interfaces
- 2018
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Ingår i: Journal of Synchrotron Radiation. - 0909-0495 .- 1600-5775. ; 25:Part: 3, s. 915-917
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Tidskriftsartikel (refereegranskat)abstract
- Commissioning results of a liquid sample cell for X-ray reflectivity studies with an in situ applied electrical field are presented. The cell consists of a Plexiglas container with lateral Kapton windows for air-liquid and liquid-liquid interface studies, and was constructed with grooves to accept plate electrodes on the walls parallel to the direction of the beam. Both copper and ITO plate electrodes have been used, the latter being useful for simultaneous optical studies. Commissioning tests were made at the I07 beamline of the Diamond Light Source.
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| 3. |
- Martins, Murillo L., et al.
(författare)
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Encapsulation of paclitaxel into a bio-nanocomposite. A study combining inelastic neutron scattering to thermal analysis and infrared spectroscopy
- 2015
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Ingår i: EPJ Web of Conferences. - : EDP Sciences. - 2101-6275 .- 2100-014X. ; 83
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Konferensbidrag (refereegranskat)abstract
- The anticancer drug paclitaxel was encapsulated into a bio-nanocomposite formed by magnetic nanoparticles, chitosan and apatite. The aim of this drug carrier is to provide a new perspective against breast cancer. The dynamics of the pure and encapsulated drug were investigated in order to verify possible molecular changes caused by the encapsulation, as well as to follow which interactions may occur between paclitaxel and the composite. Fourier transformed infrared spectroscopy, thermal analysis, inelastic and quasi-elastic neutron scattering experiments were performed. These very preliminary results suggest the successful encapsulation of the drug.
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| 4. |
- Martins, Murillo L, et al.
(författare)
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Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations
- 2017
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Ingår i: International Journal of Pharmaceutics. - : Elsevier BV. - 0378-5173 .- 1873-3476. ; 524:1-2, s. 397-406
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Tidskriftsartikel (refereegranskat)abstract
- Since potential changes in the dynamics and mobility of drugs upon complexation for delivery may affect their ultimate efficacy, we have investigated the dynamics of two local anesthetic molecules, bupivacaine (BVC, C18H28N2O) and ropivacaine (RVC, C17H26N2O), in both their crystalline forms and complexed with water-soluble oligosaccharide 2-hydroxypropyl-β-cyclodextrin (HP-β-CD). The study was carried out by neutron scattering spectroscopy, along with thermal analysis, and density functional theory computation. Mean square displacements suggest that RVC may be less flexible in crystalline form than BVC, but both molecules exhibit very similar dynamics when confined in HP-β-CD. The use of vibrational analysis by density functional theory (DFT) made possible the identification of molecular modes that are most affected in both molecules by insertion into HP-β-CD, namely those of the piperidine rings and methyl groups. Nonetheless, the somewhat greater structure in the vibrational spectrum at room temperature of complexed RVC than that of BVC, suggests that the effects of complexation are more severe for the latter. This unique approach to the molecular level study of encapsulated drugs should lead to deeper understanding of their mobility and the respective release dynamics.
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| 5. |
- Martins, Murillo L., et al.
(författare)
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Raman and Infrared spectroscopies and X-ray diffraction data on bupivacaine and ropivacaine complexed with 2-hydroxypropyl−β−cyclodextrin
- 2017
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Ingår i: Data in Brief. - : Elsevier BV. - 2352-3409. ; 15, s. 25-29
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Tidskriftsartikel (refereegranskat)abstract
- The data presented in this article are related to the research article entitled “Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations (http://dx.doi.org/10.1016/j.ijpharm.2017.03.051)” (Martins et al., 2017) [1]. This work shows the molecular and structural behavior of the local anesthetics (LAs) bupivacaine (BVC, C18H28N2O) and ropivacaine (RVC, C17H26N2O) before and after complexation with the water-soluble oligosaccharide 2-hydroxypropyl???cyclodextrin (HP-?-CD).
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| 6. |
- Tsapatsaris, Nikolaos, et al.
(författare)
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From BASIS to MIRACLES: Benchmarking and perspectives for high-resolution neutron spectroscopy at the ESS
- 2015
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Ingår i: QENS/WINS 2014 - 11th International Conference on Quasielastic Neutron Scattering and 6th International Workshopon Inelastic Neutron Spectrometers. - : EDP Sciences. - 2101-6275 .- 2100-014X. ; 83, s. 03015-03015
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Konferensbidrag (refereegranskat)abstract
- Results based on virtual instrument models for the first high-flux, high-resolution, spallation based, backscattering spectrometer, BASIS are presented in this paper. These were verified using the Monte Carlo instrument simulation packages McStas and VITESS. Excellent agreement of the neutron count rate at the sample position between the virtual instrument simulation and experiments was found, in both time and energy distributions. This achievement was only possible after a new component for a bent single crystal analyser in McStas, using a Gaussian approximation, was developed. These findings are pivotal to the conceptual design of the next generation backscattering spectrometer, MIRACLES at the European Spallation Source.
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