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- Abrahamsson, Christoffer, et al.
(författare)
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Comparison of different variable selection methods conducted on NIR transmission measurements on intact tablets
- 2003
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Ingår i: Chemometrics and Intelligent Laboratory Systems. - 0169-7439. ; 69:1-2, s. 3-12
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Tidskriftsartikel (refereegranskat)abstract
- Near infrared (NIR) transmission spectroscopy is a promising method for fast quantitative measurements on pharmaceutical tablets, but there are still some problems to overcome in order to incorporate the technique as a control tool in tablet production. The main problem is the limited precision for multivariate calibrations based on NIR transmission data. The precision is affected by several factors, where one of the most important is which variable to include in the multivariate calibration model. In this work, four different methods for variable selection in partial least square (PLS) regression were studied and compared to a calibration made with manually selected wavelengths. The methods used were genetic algorithm (GA), iterative PLS (IPLS), uninformative variable elimination by PLS (UVE-PLS) and interactive variable selection for PLS (IVS-PLS). All methods improved the predictive abilities of the model compared to the model where the wavelengths were selected manually. For the data set used in this work, IVS-PLS and GA achieved the best results with improvements in prediction error by 20%, but further measurements and investigations have to be made before any general conclusion can be drawn.
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| 2. |
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| 3. |
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| 4. |
- Abrahamsson, Christoffer K., et al.
(författare)
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Magnetically induced structural anisotropy in binary colloidal gels and its effect on diffusion and pressure driven permeability
- 2014
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Ingår i: Soft Matter. - : Royal Society of Chemistry (RSC). - 1744-683X .- 1744-6848. ; 10:24, s. 4403-4412
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Tidskriftsartikel (refereegranskat)abstract
- We report on the synthesis, microstructure and mass transport properties of a colloidal hydrogel self-assembled from a mixture of colloidal silica and nontronite clay plates at different particle concentrations. The gel-structure had uniaxial long-range anisotropy caused by alignment of the clay particles in a strong external magnetic field. After gelation the colloidal silica covered the clay particle network, fixing the orientation of the clay plates. Comparing gels with a clay concentration between 0 and 0.7 vol%, the magnetically oriented gels had a maximum water permeability and self-diffusion coefficient at 0.3 and 0.7 vol% clay, respectively. Hence the specific clay concentration resulting in the highest liquid flux was pressure dependent. This study gives new insight into the effect of anisotropy, particle concentration and bound water on mass transport properties in nano/microporous materials. Such findings merit consideration when designing porous composite materials for use in for example fuel cell, chromatography and membrane technology.
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| 5. |
- Abrahamsson, Christoffer, 1984, et al.
(författare)
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Magnetic orientation of nontronite clay in aqueous dispersions and its effect on water diffusion
- 2015
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Ingår i: Journal of Colloid and Interface Science. - : Elsevier BV. - 0021-9797 .- 1095-7103. ; 437, s. 205-210
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Tidskriftsartikel (refereegranskat)abstract
- The diffusion rate of water in dilute clay dispersions depends on particle concentration, size, shape, aggregation and water-particle interactions. As nontronite clay particles magnetically align parallel to the magnetic field, directional self-diffusion anisotropy can be created within such dispersion. Here we study water diffusion in exfoliated nontronite clay dispersions by diffusion NMR and time-dependant 1H-NMR-imaging profiles. The dispersion clay concentration was varied between 0.3 and 0.7 vol%. After magnetic alignment of the clay particles in these dispersions a maximum difference of 20% was measured between the parallel and perpendicular self-diffusion coefficients in the dispersion with 0.7 vol% clay. A method was developed to measure water diffusion within the dispersion in the absence of a magnetic field (random clay orientation) as this is not possible with standard diffusion NMR. However, no significant difference in self-diffusion coefficient between random and aligned dispersions could be observed.
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| 6. |
- Abrahamsson, Christoffer, 1984, et al.
(författare)
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Magnetically induced structural anisotropy in binary colloidal gels and its effect on diffusion and pressure driven permeability
- 2014
-
Ingår i: Soft Matter. - 1744-683X .- 1744-6848. ; 10:24, s. 4403-4412
-
Tidskriftsartikel (refereegranskat)abstract
- We report on the synthesis, microstructure and mass transport properties of a colloidal hydrogel selfassembled from a mixture of colloidal silica and nontronite clay plates at different particle concentrations. The gel-structure had uniaxial long-range anisotropy caused by alignment of the clay particles in a strong external magnetic field. After gelation the colloidal silica covered the clay particle network, fixing the orientation of the clay plates. Comparing gels with a clay concentration between 0 and 0.7 vol%, the magnetically oriented gels had a maximum water permeability and self-diffusion coefficient at 0.3 and 0.7 vol% clay, respectively. Hence the specific clay concentration resulting in the highest liquid flux was pressure dependent. This study gives new insight into the effect of anisotropy, particle concentration and bound water on mass transport properties in nano/microporous materials. Such findings merit consideration when designing porous composite materials for use in for example fuel cell, chromatography and membrane technology.
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| 7. |
- Abrahamsson, Christoffer, 1984
(författare)
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Microstructure and liquid mass transport control in nanocomposite materials
- 2015
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Some of the biggest problems currently facing the world are closely tied to unsolved technological challenges in the material sciences. Many materials have a porous microstructure that controls their overall properties. In the case of porous materials their properties often relate to how liquids and dissolved substances move (liquid mass transport) through the pores of the material and how these substances interact with the pore walls. Challenges related to such processes can be found in applications related to energy storage, oil well engineering, food, chromatography, and drug release. It is not a trivial matter to design a material synthesis method that reproducibly produces a robust material with the correct pore-structure and surface properties and in the end, the intended function. An added difficulty is that the material should maintain its function over the intended usage period. These generic difficulties summarizes why some technological problems related to porous materials still remains unsolved. The research community is therefore trying to acquire a better understanding of the mechanisms that governs how the synthesis process affects the microstructure and the resultant liquid mass transport properties.The focus of this work has been to investigate the nanoparticle organization in dispersions and in aggregated microporous materials, and how this organization affects the liquid diffusion and permeability through the material. To study these processes several model material synthesis methods, characterization techniques, and theoretical models were developed. Specifically the work investigated how the particle concentration, shape and aggregation conditions affected the formed microstructure. The role of microstructure anisotropy was investigated by aligning plate-shaped particles in magnetic fields during the material synthesis. In addition, the effect of several different additives on the magnetic alignment process was explored. Furthermore, a responsive nanocomposite material was synthesized in which temperature could be used to reversibly adjust the pore size of the material. The findings showed that particle concentration, aggregation conditions, magnetic fields and temperature responsive microgels can be used to control the liquid mass transport through colloidal dispersions and gels. In some cases the experimental results together with simulations were used to derive microstructure and mass transport correlations for different particle aggregation conditions. These correlations are of general application when predicting the pore size and liquid mass transport in aggregated nanoparticle materials.
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| 8. |
- Abrahamsson, Christoffer, et al.
(författare)
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Scatter correction of transmission near-infrared spectra by photon migration data: Quantitative analysis of solids
- 2005
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Ingår i: Applied Spectroscopy. - 1943-3530. ; 59:11, s. 1381-1387
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Tidskriftsartikel (refereegranskat)abstract
- The scope of this work is a new methodology to correct conventional near-infrared (NIR) data for scattering effects. The technique aims at measuring the absorption coefficient of the samples rather than the total attenuation measured in conventional NIR spectroscopy. The main advantage of this is that the absorption coefficient is independent of the path length of the light inside the sample and therefore independent of the scattering effects. The method is based on time-resolved spectroscopy and modeling of light transport by diffusion theory. This provides an independent measure of the scattering properties of the samples and therefore of the path length of light. This yields a clear advantage over other preprocessing techniques, where scattering effects are estimated and corrected for by using the shape of the measured spectrum only. Partial least squares (PLS) calibration models show that, by using the proposed evaluation scheme, the predictive ability is improved by 50% as compared to a model based on conventional NIR data alone. The method also makes it possible to predict the concentration of active substance in samples with other physical properties than the samples included in the calibration model.
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| 9. |
- Abrahamsson, Christoffer, et al.
(författare)
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Scatter correction of transmission NIR spectra by photon migration data - Quantitative analysis of solids
- 2005
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Ingår i: Proceedings of SPIE - The International Society for Optical Engineering. - : SPIE. - 1996-756X .- 0277-786X. ; 6009, s. 60090-60090
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Konferensbidrag (refereegranskat)abstract
- The scope of this presentation is a new methodology to correct conventional NIR data for scattering effects. The technique aims at measuring the absorption coefficient of the samples rather than the total attenuation, measured by conventional NIR spectroscopy. The main advantage of this is that the absorption coefficient is independent of the path length of the light inside the sample, and therefore independent of the scattering effects. The measurements in this work were made using a novel system for time-resolved measurements, based on short light continuum pulses generated in an index-guided crystal fibre and a spectrometer-equipped streak camera. The system enables spectral recordings in the wavelength range 500 - 1200 nm with a spectral resolution of 5 nm and a temporal resolution of 30 ps. The evaluation scheme is based on modeling of light transport by diffusion theory, that provides an independent measure of the scattering properties of the samples, that later is used to correct conventional NIR data. This yields a clear advantage over other pre-processing techniques, where scattering effects are estimated and corrected for by using the shape of the measured spectrum only. PLS calibration models shows that, by using the proposed evaluation scheme, the predictive ability is improved by 50% as compared to models based on conventional NIR data. The method also makes it possible to predict the concentration of active substance in samples with physical properties different from those of the samples included in the calibration model.
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| 10. |
- Abrahamsson, Christoffer, et al.
(författare)
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Time and wavelength resolved spectroscopy of turbid media using light continuum generated in a crystal fiber
- 2004
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Ingår i: Optics Express. - 1094-4087. ; 12:17, s. 4103-4112
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Tidskriftsartikel (refereegranskat)abstract
- We report a novel system for time-resolved diffuse remission spectral measurements, based on short light continuum pulses generated in an index-guided crystal fiber, and a spectrometer-equipped streak camera. The system enables spectral recordings of absorption and reduced scattering coefficients of turbid media in the wavelength range 500 - 1200 nm with a spectral resolution of 5 nm and a temporal resolution of 30 ps. The optical properties are calculated by fitting the solution of the diffusion equation to the time-dispersion curve at each wavelength. Example measurements are presented from an apple, a finger and a pharmaceutical tablet. (C) 2004 Optical Society of America.
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