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RISS 인기검색어
- 검색키워드
- 저자 : Prashanta Dutta (검색결과 6 건)
- 무료
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Parallel implementation of finite volume based method for isoelectric focusing
심재술,Prashanta Dutta,Cornelius F. Ivory 대한기계학회 2009 JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY Vol.23 No.12
A message passing interface (MPI) based parallel simulation algorithm is developed to simulate protein behavior in non-linear isoelectric focusing (IEF). The mathematical model of IEF is formulated based on mass conservation, charge conservation, ionic dissociation-association relations of amphoteric molecules and the electroneutrality condition. First, the concept of parallelism is described for isoelectric focusing, and the isoelectric focusing model is implemented for 96 components: 94 ampholytes and 2 proteins. The parallelisms were implemented for two equations (mass conservation equation and electroneutrality equation). The CPU times are presented according to the increase of the number of processors (1, 2, 4 and 8 nodes). The maximum reduction of CPU time was achieved when four CPUs were employed, regardless of the input components in isoelectric focusing. The speed enhancement was defined for comparison of parallel efficiency. Computational speed was enhanced by maximum of 2.46 times when four CPUs were used with 96 components in isoelectric focusing.
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A non-sampling mixing index for multicomponent mixtures
Cho, Migyung,Dutta, Prashanta,Shim, Jaesool Elsevier Sequoia 2017 Powder technology Vol.319 No.-
<P><B>Abstract</B></P> <P>Uniform mixing is crucial for different types of molecules, powders, and materials in several chemical, mineral, cement, and drug companies. However, there is no effective index to evaluate the uniformity of mixing of multiple components. This study proposes a non-sampling mixing index (SMI) that is applicable to both multiple mixtures with more than two components as well as binary mixtures. The proposed mixing index estimates a mixing state by using all subdomain mixing information for all particles without requiring sampling. In the study, the index was used to predict the mixing of different types of metallic particles in a screw blender. A discrete element based numerical technique was used to determine the transient location of particles in a screw blender at different rotation rates. The effectiveness of the SMI was demonstrated by comparing it with other representative mixing indices. The effectiveness was elucidated using a model of a binary system in which two groups of particles were mixed from 0% (no mixing) to 100% (perfect mixing). The SMI indicated a linear correlation from 0 to near 1 between test mixing conditions and the mixing indices in contrast to other conventional methods that over-predicted the mixing conditions. With respect to the DEM simulation, the SMI displayed values between SMI=0 at the initial stage and SMI=0.9–0.94 at a fully random mixed condition for the rpm ranges corresponding to 15, 30, 45 and 60. The results also indicated that the SMI value of zero occurred at the boundaries with the exception of the bottom and that a considerably lower mixing index was obtained at boundaries as opposed to inner subdomains with respect to the fully random mixed condition (<I>t</I> =20s and rpm=30).</P> <P><B>Highlights</B></P> <P> <UL> <LI> A new method is developed to predict a mixing state in a non-sampling condition. </LI> <LI> The proposed method provides a mixing index for multicomponent mixtures. </LI> <LI> The index provides good linear correlation from unmixed to fully random mixed. </LI> <LI> The proposed method provides spatial distribution of mixing index. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>
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Band Dispersion in Lab-on-a chip for protein separation
Jaesool Shim,Prashanta Dutta,Cornelius F. Ivory 대한기계학회 2008 대한기계학회 춘추학술대회 Vol.2008 No.10
Ampholyte based isoelectric focusing (IEF) simulation was conducted to study dispersion of proteins in a horse shoe microchannel. Four model proteins (pls= 6.49, 7.1, 7.93 and 8.6) are focused in a 1 ㎝ long horse shoe channel under an electric field of 300 V/㎝. The pH gradient is formed in the presence of 25 biprotic carrier ampholytes (?pK = 3.0) within a pH range of 6 to 9. The proteins are focused at 380 sec in a nominal electric field of 300 V/㎝. Our numerical results show that the band dispersions of a protein are large during the gradient formation stage, but the dispersions are significantly reduced when the double peaks start to merge. This rearrangement of spreading band isvery unique compared to linear electrokinetic phenomena (capillary zone electrophoresis) and is independent of channel position and channel shape. Hence, one can perform IEF and other self-sharpening electrokinetic methods, such as, isotachophoresis (ITP), in complex geometries without incorporating hyperturns.
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Dispersion of protein bands in a horseshoe microchannel during IEF
Shim, Jaesool,Dutta, Prashanta,Ivory, Cornelius F. WILEY-VCH Verlag 2009 Electrophoresis Vol.30 No.5
<P>Ampholyte-based IEF is simulated for a 2-D horseshoe microchannel. The IEF model takes into account ionic-strength-dependent mobility corrections for both proteins and ampholytes. The Debye–Huckel–Henry model is employed to correct the protein mobilities and the Onsager–Debye–Huckel model is used to obtain effective mobilities of ampholytes from their limiting mobility. IEF simulations are conducted in the presence of 25 ampholytes (ΔpK=3.0) within a pH range of 6–9 under an electric field of 300 V/cm and using four proteins (pIs=6.49, 7.1, 7.93 and 8.6) focused in a 1-cm-long microchannel. The numerical results show that the concentrations of proteins and ampholytes are different when mobility corrections are considered but that the focusing positions remain the same regardless of mobility corrections. Our results also demonstrate that, unlike linear electrophoresis in which the bands deform significantly as they traverse a bend, during the transient portion of IEF racecourse dispersion is mitigated by focusing and, at focused-state, those bands that focus in the bend show no radial concentration dependence, i.e. they completely recover from racecourse dispersion, even within a tight turn.</P>
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