Готові списки джерел за темами / Chromatography modelling and simulation

Добірка наукової літератури з теми "Chromatography modelling and simulation"

Автор: Grafiati
Опубліковано: 8 червня 2024

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Статті в журналах з теми "Chromatography modelling and simulation":

1

Zenhäusern, Reto, and David W. T. Rippin. "Modelling and simulation of multicomponent nonlinear chromatography." Computers & Chemical Engineering 22, no. 1-2 (January 1998): 259–81. http://dx.doi.org/10.1016/s0098-1354(96)00364-x.

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2

Irankunda, Rachel, Jairo Andrés Camaño Echavarría, Cédric Paris, Loïc Stefan, Stéphane Desobry, Katalin Selmeczi, Laurence Muhr, and Laetitia Canabady-Rochelle. "Metal-Chelating Peptides Separation Using Immobilized Metal Ion Affinity Chromatography: Experimental Methodology and Simulation." Separations 9, no. 11 (November 14, 2022): 370. http://dx.doi.org/10.3390/separations9110370.

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Metal-Chelating Peptides (MCPs), obtained from protein hydrolysates, present various applications in the field of nutrition, pharmacy, cosmetic etc. The separation of MCPs from hydrolysates mixture is challenging, yet, techniques based on peptide-metal ion interactions such as Immobilized Metal Ion Affinity Chromatography (IMAC) seem to be efficient. However, separation processes are time consuming and expensive, therefore separation prediction using chromatography modelling and simulation should be necessary. Meanwhile, the obtention of sorption isotherm for chromatography modelling is a crucial step. Thus, Surface Plasmon Resonance (SPR), a biosensor method efficient to screen MCPs in hydrolysates and with similarities to IMAC might be a good option to acquire sorption isotherm. This review highlights IMAC experimental methodology to separate MCPs and how, IMAC chromatography can be modelled using transport dispersive model and input data obtained from SPR for peptides separation simulation.
3

McCoy, M. A., A. I. Liapis, and K. K. Unger. "Applications of mathematical modelling to the simulation of binary perfusion chromatography." Journal of Chromatography A 644, no. 1 (July 1993): 1–9. http://dx.doi.org/10.1016/0021-9673(93)80113-m.

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4

Burrell, Frances M., Phillip E. Warwick, Ian W. Croudace, and W. Stephen Walters. "Development of a numerical simulation method for modelling column breakthrough from extraction chromatography resins." Analyst 146, no. 12 (2021): 4049–65. http://dx.doi.org/10.1039/d0an02251a.

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A numerical simulation method was developed in LabVIEW using rate constants derived from batch experiments. The successful application to chromatographic breakthrough demonstrates potential for integration with automated radioanalytical systems.
5

Karlberg, Micael, João Victor de Souza, Lanyu Fan, Arathi Kizhedath, Agnieszka K. Bronowska, and Jarka Glassey. "QSAR Implementation for HIC Retention Time Prediction of mAbs Using Fab Structure: A Comparison between Structural Representations." International Journal of Molecular Sciences 21, no. 21 (October 28, 2020): 8037. http://dx.doi.org/10.3390/ijms21218037.

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Monoclonal antibodies (mAbs) constitute a rapidly growing biopharmaceutical sector. However, their growth is impeded by high failure rates originating from failed clinical trials and developability issues in process development. There is, therefore, a growing need for better in silico tools to aid in risk assessment of mAb candidates to promote early-stage screening of potentially problematic mAb candidates. In this study, a quantitative structure–activity relationship (QSAR) modelling workflow was designed for the prediction of hydrophobic interaction chromatography (HIC) retention times of mAbs. Three novel descriptor sets derived from primary sequence, homology modelling, and atomistic molecular dynamics (MD) simulations were developed and assessed to determine the necessary level of structural resolution needed to accurately capture the relationship between mAb structures and HIC retention times. The results showed that descriptors derived from 3D structures obtained after MD simulations were the most suitable for HIC retention time prediction with a R2 = 0.63 in an external test set. It was found that when using homology modelling, the resulting 3D structures became biased towards the used structural template. Performing an MD simulation therefore proved to be a necessary post-processing step for the mAb structures in order to relax the structures and allow them to attain a more natural conformation. Based on the results, the proposed workflow in this paper could therefore potentially contribute to aid in risk assessment of mAb candidates in early development.
6

Zakaria, Philip, Greg W. Dicinoski, Boon Khing Ng, Robert A. Shellie, Melissa Hanna-Brown, and Paul R. Haddad. "Application of retention modelling to the simulation of separation of organic anions in suppressed ion chromatography." Journal of Chromatography A 1216, no. 38 (September 2009): 6600–6610. http://dx.doi.org/10.1016/j.chroma.2009.07.051.

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7

Dünnebier, G., and K. U. Klatt. "Modelling and simulation of nonlinear chromatographic separation processes: a comparison of different modelling approaches." Chemical Engineering Science 55, no. 2 (January 2000): 373–80. http://dx.doi.org/10.1016/s0009-2509(99)00332-2.

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8

Adeyemo, M. A., O. Adeyeye, O. A. Okeniyi, and S. O. Idowu. "Biomembrane Modelling in Planar Chromatographic Determination of Lipophilicity Using Olive and Castor Oils." Nigerian Journal of Pharmaceutical Research 16, no. 2 (January 19, 2021): 97–106. http://dx.doi.org/10.4314/njpr.v16i2.1.

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BackgroundLipophilicity is a crucial physicochemical parameter that predicts in vivo pharmacokinetics and should be reliably estimated in early stage drug discovery to reduce incidence of attrition. Previous methodologies for its measurement often lead to technically incorrect decisions due to simplistic architecture and poor biomimetic attributes. Significantly, a certain seed oil, used for biomembrane modelling on planar chromatographic platform, was reported to be sufficiently biomimetic and fit for purpose.ObjectivesTo evaluate olive oil (OL) and olive-castor oil (OL-C) equi-mixture as lipids for biomembrane simulation on planar chromatographic platform.Material and MethodRetention behavior of nabumetone, a model compound was used to optimize these potential lipid membranes using a thin film engineered from 5% Liquid paraffin (LP) as benchmark, while halofantrine, nabumetone , α-naphthol and β-naphthol representing varying molecular polarities, were used for validation studies. The validation involved 2-way analysis of variance (ANOVA) associated with variability in Basic lipophilicity parameter (Rmw), and Specific hydrophobic surface area (SHSA) for the optimized surfaces, relative to LP and octadecylsilane (ODS) Further validation entailed correlation of the lipophilicity descriptor i.e. isocratic chromatographic hydrophobicity index (ICHI) on OL, OL-C, ODS and LP with experimental Log P(octanol/water).ResultsOptimized film thicknesses were produced by 5% OL and 1.25% OL-C (p > 0.05). The 2-way ANOVA revealed great variability in performance characteristics of the surfaces (p < 0.0001), and the new surfaces also gave poorer correlation with Log P values (R2= 0.502 and 0.449 respectively).ConclusionThe 1.25 % OL-C demonstrated a higher biomimetic attribute and warrants further validation studies to ascertain biorelevance, of lipophilicity measurement on this platform, in predicting oral drug absorption. Keywords: Lipophilicity, Reversed-phase Thin Layer Chromatography, Retention behaviour, Olive oil, Castor oil
9

Bourdarias, Christian, Marguerite Gisclon, and Stéphane Junca. "Kinetic formulation of a 2 × 2 hyperbolic system arising in gas chromatography." Kinetic & Related Models 13, no. 5 (2020): 869–88. http://dx.doi.org/10.3934/krm.2020030.

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Câmara, Leôncio Diógenes T., and Antônio J. Silva Neto. "Network modeling of chromatography by stochastic phenomena of adsorption, diffusion and convection." Applied Mathematical Modelling 33, no. 5 (May 2009): 2491–501. http://dx.doi.org/10.1016/j.apm.2008.07.013.

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Статті в журналах Дисертації Книги

Дисертації з теми "Chromatography modelling and simulation":

1

Jadhav, Sanket H. "Modelling and Simulation of Chromatographic Processes for Whey Proteins." Thesis, Curtin University, 2019. http://hdl.handle.net/20.500.11937/76482.

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The research focuses on understanding implementation of modelling and simulation for ion exchange chromatography. A computational tool ExProSim:IC was developed in MATLAB2014b and literature based validation was performed for three thermodynamic models along with a mass transfer model. Furthermore, detailed analysis of separation characteristics for major and minor whey protein standards, and crude whey protein concentrate was performed for experimental validation of the tool giving a better understanding of model parameters for simulation of chromatographic operations.
2

Irankunda, Rachel. "Nickel Chelating Peptides & Chromatography : From Peptides Separation Simulation up to their Antioxidant Activities - related Applications." Electronic Thesis or Diss., Université de Lorraine, 2023. http://www.theses.fr/2023LORR0213.

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Les peptides chélateurs de métaux (PCMs), issus d'hydrolysats de protéines, présentent diverses applications dans les domaines de la nutrition, de la pharmacie, des cosmétiques, etc. Cependant, l'approche empirique généralement utilisée pour découvrir des peptides bioactifs à partir d'hydrolysats est longue et coûteuse en raison de nombreuses étapes de fractionnement, de séparation et d'évaluation des activités biologiques. Cette thèse a donc pour but de développer une nouvelle approche pour la prédiction de la séparation des PCMs en utilisant la modélisation et la simulation chromatographiques basées sur l'analogie entre la chromatographie d'affinité sur ions métalliques immobilisés (IMAC) et la résonance plasmonique de surface (SPR). Pour la première fois, l'analogie SPR-IMAC a été étudiée expérimentalement sur 22 peptides et 70% d'entre eux ont validé cette analogie, puisque les peptides bien retenus en IMAC étaient également dotés d'une bonne affinité pour Ni2+ en SPR. Dans un deuxième temps, des peptides ayant une forte affinité pour Ni2+ (c'est-à-dire une faible constante de dissociation KD en SPR et un temps de rétention élevé en IMAC) ont été utilisés pour étudier la simulation des profils de concentration de peptides à la sortie de la colonne en IMAC. La connaissance des isothermes d'adsorption étant nécessaire pour effectuer la simulation, il a fallu développer une méthodologie pour prédire les paramètres de l'isotherme de Langmuir en IMAC à partir des données SPR. La simulation a été évaluée en comparant les temps de rétention expérimentaux et simulés qui devraient être proches pour une prédiction fiable. Par conséquent, plusieurs approches ont été étudiées pour déterminer les paramètres de sorption de Langmuir. L‘approche la plus intéressante a introduit un facteur correctif sur la capacité d'adsorption maximale qmax seulement. En effet, l'affinité des peptides pour le Ni2+ immobilisé étant supposée constante quelle que soit technologie utilisée (SPR vs. IMAC), la constante d'affinité KA n'a pas été modifiée. Parallèlement, les applications industrielles des PCMs et des hydrolysats peptidiques ont été étudiées. Tout d'abord, des hydrolysats de protéines de pois ont été produits par protéolyse enzymatique soit avec l'Alcalase® suivi de la Flavourzyme® (Alc+Flav≤1kDa), soit par la Protamex® suivi de la Flavourzyme® (Prot+Flav≤1kDa). La technologie SwitchSENSE® a mis en évidence la présence de peptides chélateurs de Ni2+ et les tests antioxydants ont montré que l'hydrolysat Prot+Flav≤1kDa avait une activité antiradicalaire et un pouvoir réducteur plus élevés, liés à son degré d'hydrolyse plus élevé et à la quantité de peptides de petite taille. Les hydrolysats de protéines de pois et les PCMs ont ensuite été étudiés pour leur capacité à inhiber l'oxydation des lipides dans les émulsions. Ils ont ralenti l'oxydation des lipides par chélation des métaux pro-oxydants (tels que Fe2+) en réduisant les produits d'oxydation primaires et secondaires, responsables de la détérioration des produits contenant des lipides. Ainsi, les hydrolysats de pois et les PCMs pourraient être utilisés comme antioxydants dans les produits alimentaires et cosmétiques, comme alternatives aux produits chimiques tels que l'EDTA, le BHT et le TBHQ
Metal-Chelating Peptides (MCPs), from protein hydrolysates, present various applications in nutrition, pharmacy, cosmetic etc. Yet, the empirical approach generally used to discover bioactive peptides from hydrolysates is time consuming and expensive due to many steps of fractionation, separation and biological activities evaluation. Thus, this PhD aimed to develop a novel approach for MCPs separation prediction using chromatography modelling and simulation based on the analogy between Immobilized Metal ion Affinity Chromatography (IMAC) and Surface Plasmon Resonance (SPR). For the first time, the SPR-IMAC analogy was experimentally investigated on 22 peptides and 70% of them validated this analogy, since peptides well retained in IMAC were also endowed with a good affinity for Ni2+ in SPR. In the second time, peptides with high affinity for Ni2+ (i.e low dissociation constant KD in SPR and a high retention time in IMAC) were used to study the modelling and simulation of peptide concentration profiles at the column outlet in IMAC. Since knowledge of adsorption isotherms was required to perform simulation, it was necessary to develop a methodology for predicting Langmuir isotherm parameters in IMAC from SPR data. The validity of simulation was evaluated by comparing experimental and simulated retention times that should be close for reliable prediction. Therefore, several approaches were evaluated to determine Langmuir sorption parameters, the most interesting one introduces a correction factor on the maximum adsorption capacity qmax alone, assuming that the affinity of peptides for immobilized Ni2+ did not change depending on the technology used (SPR vs. IMAC), thus affinity constant KA was not modified. Meanwhile, industrial application of MCPs and hydrolysates were studied. First, pea protein hydrolysates were produced by either Alcalase® followed by Flavourzyme® (Alc+Flav≤1kDa) or Protamex® followed by Flavourzyme® (Prot+Flav≤1kDa). SwitchSENSE® technology evidences the presence of Ni2+ chelating peptides and antioxidants tests showed that Prot+Flav≤1kDa has higher radical scavenging and reducing power, related to its higher degree of hydrolysis and small-size peptides quantity. Secondly, pea hydrolysates and MCPs were investigated for their ability to inhibit the lipid oxidation in emulsions. They slowed down lipid oxidation through chelation of prooxidant (metals such as Fe2+) reducing primary and secondary oxidation products responsible of deterioration of lipid containing products. Thus, pea hydrolysates and MCPs could be used as antioxidants in food and cosmetic products, as alternative to chemicals such as EDTA, BHT and TBHQ
3

El-Sayed, Mayyada. "Selective cation-exchange adsorption of the two major whey proteins." Thesis, University of Cambridge, 2010. https://www.repository.cam.ac.uk/handle/1810/225131.

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Whey is a by-product of cheese manufacture, containing a mixture of proteins of commercial value, each having unique attributes for nutritional, biological and food ingredient applications. A tremendous amount of whey, normally treated as a waste product, is produced worldwide each year. This work describes the cation-exchange adsorption of the two major whey proteins, alpha-lactalbumin (ALA) and beta-lactoglobulin (BLG) with the purpose of optimising a process for isolating them from whey. Adsorption of pure BLG and ALA was studied onto SP Sepharose FF using 0.1M acetate buffer. Batch experiments were carried out at various pH values for ALA and BLG, and the relevant Langmuir isotherm parameters, dissociation constant, Kd, and maximum binding capacity, qm, were determined. The optimum pH for separation was chosen to be pH 3.7. At pH 3.7, both Kd and qm pertaining to ALA were found to have higher numerical values than those of BLG, implying different characteristics of adsorption of the two proteins on this adsorbent. The Kd for the former protein was almost four times larger than the latter, while qm was 1.3 times higher. Packed-bed column adsorption was performed using a 1-ml column at pH 3.7, flow rate 1 ml/min and initial concentration of 3 mg/ml for BLG and 1.5 mg/ml for ALA both in 0.1M sodium acetate buffer. The t1/2 for the resulting ALA breakthrough was 75% longer than its BLG counterpart. The above results suggest the possibility of the occurrence of competitive adsorption between the proteins when adsorbed simultaneously. In traditional batch uptake experiments, the kinetic rate constants of ALA and BLG in both the single- and two-component systems were determined using the simple kinetic model. The values so obtained implied that BLG was adsorbed faster than ALA. In the confocal laser scanning microscopy experiments, the different behaviour of ALA and BLG in the single-component system with regard to their penetration within the adsorbent beads suggested that the two proteins have different transport mechanisms governing their adsorption. The two-component system results showed that ALA was able to displace BLG in spite of the lower affinity of the former protein to the adsorbent. The packed-bed adsorption and elution of a mixture of ALA and BLG were then investigated under the above conditions but using a 5-ml column. BLG breakthrough occurred first, and its concentration in the outlet exceeded its feed value by 1.6 fold before declining to the feed value, followed by the breakthrough of ALA. ALA displaced and eluted all the BLG from the column in a pure form. Pure ALA could then be eluted with good recovery. The single- and two-component breakthrough curves for ALA and BLG were simulated by the simple kinetic model using the isotherm parameters, but the overshoot phenomenon could only be predicted after correcting these parameters. The evidence of the competitive nature of adsorption observed in binary mixtures was used to develop a facile separation procedure for the two proteins from aqueous solutions of whey concentrate powders. A novel consecutive two-stage separation process was developed to separate ALA and BLG from whey concentrate mixtures. Almost all the BLG in the feed was recovered, with 78% being recovered at 95% purity and a further 20% at 86% purity. In addition, 67% of ALA was recovered, 48% at 54% purity and 19% at 60% purity. The correction factors employed for the pure binary mixture were used to simulate the breakthrough curves of the two proteins in experiments conducted with whey concentrate in each of the two stages of the novel separation process, and there was agreement between the experimental and theoretical results.
4

Kapadi, Ajith Nayak. "Size Exclusion PEGylation Reaction Chromatography Modelling." The University of Waikato, 2006. http://hdl.handle.net/10289/2504.

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Size exclusion PEGylation reaction chromatography was investigated using a model developed by Fee (2005). Column dispersion was neglected and the PEGylation reaction was modelled as second order. The model allowed up to four PEG groups to be attached to a protein and accounted for succinic acid hydrolysis from activated PEG. The model was adapted to simulate a-lactalbumin PEGylation and succinic acid hydrolysis from activated PEG in a batch stirred tank so rate parameters from stirred tank kinetic experiments could be obtained and the model verified. The model was solved using finite differences and simulations run in Matlab. The effect of reaction parameters such as timing, length and concentration of PEG and protein injection, reaction rates, and model resolution on model simulation results was explored. In the size exclusion PEGylation simulations it was found that increasing protein concentration increased MonoPEG concentrations and increased the ratio of MonoPEG to starting protein feed concentration. Increasing PEG pulse length and starting PEG concentration initially increased MonoPEG concentration and product ratio until all protein had been PEGylated at which point MonoPEG concentration the product ratio levelled out. Increasing PEG hydrolysis rates did not affect the amount of MonoPEG produced but reduced the activated PEG concentration and increased succinic acid concentration. Optimal conditions for producing MonoPEG were found to be equal concentrations of PEG and protein, with the PEG injection length twice as long as the protein injection, and the PEG injection done immediately after the protein injection.
5

Andersson, David. "Simulation Testbed for Liquid Chromatography." Thesis, Umeå universitet, Institutionen för fysik, 2021. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-185024.

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The stlc package is proposed as a tool for simulation of liquid chromatography by implementing several lumped kinetic models which combine diffusive mass  transport and adsorption isotherm equations. The purpose of the package is to provide computationally efficient approximations to the general rate model of chromatography. Orthogonal collocation is used to discretize the spatial domain and the resulting system of ordinary differential equations is evaluated by one of several solvers made available in the package.  Comparisons between numerical and analytical Laplace domain solutions for values of mass transfer coefficient, k, ranging from 0 to 1000 and lumped dispersion constant values, DL,from 10-5 to 10-2 are presented. Analytical results were approximated to an L1 error in the range 10-5 to 10-3 with a maximum evaluation time of 0.27s for 100 grid points. The breakthrough curves of the analytical solution are accurately recreated indicating a correct implementation. Variations in accuracy can be partly attributed to  oscillations induced by steep gradients in the solution. The oscillations are reduced by the addition further points to the spatial grid. The package is implemented in Python using    minimal dependencies and can produce approximations with short evaluation times. The Python programming language is dynamically typed and uses automatic memory management, properties  which can improve productivity and be beneficial to research applications. The addition of this package to the extensive Python ecosystem of libraries can potentially aid future       developments in chromatography.
6

Ziebell, Angela Louise. "Modelling lignin depolymerisation using size exclusion chromatography." Swinburne Research Bank, 2008. http://hdl.handle.net/1959.3/35984.

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Thesis (PhD) - Faculty of Life and Social Sciences, Swinburne University of Technology, 2008.
Presented for full assessment for the degree of Doctor of Philosophy, Faculty of Life and Social Sciences, Swinburne University of Technology - 2008. Typescript. Bibliography: p. 222-246.
7

UMEMURA, TOMONARI, RYO KOMIYAMA, and KAZUHIRO YAMAMOTO. "NUMERICAL SIMULATION ON FLOW IN COLUMN CHROMATOGRAPHY." World Scientific Publishing, 2013. http://hdl.handle.net/2237/20053.

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8

Kurdi, Omar. "Crowd modelling and simulation." Thesis, University of Sheffield, 2017. http://etheses.whiterose.ac.uk/18669/.

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In this thesis we analysed the behaviour of crowd flows in large gatherings, taking a case study of the corridors where the Sa'yee ritual are performed. Of the current simulation models few of them addressed disabled persons in their model calculations and they did not include real-life data in order to analyse the crowd behaviour. None of the crowd modelling and simulation studies of the Hajj crowd, focused mainly on crowd behaviours during the Sa'yee ritual. We have proposed and developed a methodology to extract crowd characteristics from real-life videos with unknown camera angle and position. Agent tracking for different conditions of weather and various walking styles have been studied in the scope of our study. We further tested the feasibility of the use of drone to track agent behaviour in our methodology. We propose, design, and develop, a realistic and flexible state-based model of the Sa'yee ritual that can be mapped onto different agent-based systems, and then implement it in the modelling platforms Netlogo and FLAME. Further a comparison is made in terms of processing speed so that the model could be escalated to larger crowd. There are two enhancements carried out in the Sa'yee model and simulations, that makes this research novel and different than other contemporary researches. The first is the addition of different types of people (men, women and people with disabilities), and the second is the use of real video recordings from CCTV to analyse and model the walking behaviours of pilgrims. We carried out experiments that define the safety limit for the number of people in a group, and the results of defining a dedicated corridor for the disabled population. An empirical study shows that some aspects of the model such as agent density, behaviour, and speed match the real Sa'yee crowd. Therefore, the model can be used to study the general crowd behaviour in terms of agent density and speed of the agents with only slight modifications. The model is mapped from Netlogo to FLAME which validates that our model can be extrapolated to simulate larger crowd and huge number of agents. In addition, safety guidelines for better crowd management have been proposed to enhance crowd flow and reduce risks.
9

Ipsen, Andreas. "Probabilistic modelling of liquid chromatography time-of-flight mass spectrometry." Thesis, Imperial College London, 2011. http://hdl.handle.net/10044/1/6903.

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Liquid Chromatography Time-of-Flight Mass Spectrometry (LC-TOFMS) is an analytical platform that is widely used in the study of biological mixtures in the rapidly growing fields of proteomics and metabolomics. The development of statistical methods for the analysis of the very large data-sets that are typically produced in LC-TOFMS experiments is a very active area of research. However, the theoretical basis on which these methods are built is currently rather thin and as a result, inferences regarding the samples analysed are generally drawn in a somewhat qualitative fashion. This thesis concerns the development of a statistical formalism that can be used to describe and analyse the data produced in an LC-TOFMS experiment. This is done through the derivation of a number of probability distributions, each corresponding to a different level of approximation of the distribution of the empirically obtained data. Using such probabilistic models, statistically rigorous methods are developed and validated which are designed to address some of the central problems encountered in the practical analysis of LC-TOFMS data, most notably those related to the identification of unknown metabolites. Unlike most existing bioinformatics techniques, this work aims for rigour rather than generality. Consequently the methods developed are closely tailored to a particular type of TOF mass spectrometer, although they do carry over to other TOF instruments, albeit with important restrictions. And while the algorithms presented may constitute useful analytical tools for the mass spectrometers to which they can be applied, the broader implications of the general methodological approach that is taken are also of central importance. In particular, it is arguable that the main value of this work lies in its role as a proof-of-concept that detailed probabilistic modelling of TOFMS data is possible and can be used in practice to address important data analytical problems in a statistically rigorous manner.
10

Scholtzova, Angela. "Scale up and modelling of HPLC." Thesis, University College London (University of London), 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.368109.

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Книги з теми "Chromatography modelling and simulation":

1

Birta, Louis G., and Gilbert Arbez. Modelling and Simulation. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-030-18869-6.

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Birta, Louis G., and Gilbert Arbez. Modelling and Simulation. London: Springer London, 2013. http://dx.doi.org/10.1007/978-1-4471-2783-3.

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IASTED, International Conference: Modelling and Simulation MS'91 (1991 Calgary Canada). Modelling and simulation. Anaheim, CA: ActaPress, 1991.

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4

De La Mota, Idalia Flores, Antoni Guasch, Miguel Mujica Mota, and Miquel Angel Piera. Robust Modelling and Simulation. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-53321-6.

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5

Attinger, Sabine, and Petros Koumoutsakos, eds. Multiscale Modelling and Simulation. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-642-18756-8.

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6

Neelamkavil, Francis. Computer simulation and modelling. Chichester [Sussex, England]: Wiley, 1987.

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7

Davies, Ruth M. Simulation modelling with Pascal. New York: Prentice Hall, 1989.

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8

M, Cerrolaza, Jugo D, Brebbia C. A, and International Conference on Simulation Modelling in Bioengineering (1st : 1996 : Mérida, Venezuela), eds. Simulation modelling in bioengineering. Southampton, UK: Computational Mechanics Publications, 1996.

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9

Sabine, Attinger, and Koumoutsakos Petros D, eds. Multiscale modelling and simulation. Berlin: Springer, 2004.

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10

Luigi, Preziosi, ed. Cancer modelling and simulation. Boca Raton, Fla: Chapman & Hall/CRC, 2003.

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Частини книг з теми "Chromatography modelling and simulation":

1

Robinson, Stewart. "Conceptual Modelling." In Simulation, 77–95. London: Macmillan Education UK, 2014. http://dx.doi.org/10.1007/978-1-137-32803-8_5.

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Greasley, Andrew. "Hybrid Modelling." In Simulation Modelling, 350–83. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-28.

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Greasley, Andrew. "Hybrid Simulation." In Simulation Modelling, 340–49. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-27.

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Greasley, Andrew. "Conceptual Modelling (Abstraction)." In Simulation Modelling, 35–59. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-3.

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Greasley, Andrew. "Simul8 Scenario Analysis." In Simulation Modelling, 314–22. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-25.

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Greasley, Andrew. "Conceptual Modelling (Descriptive Model)." In Simulation Modelling, 71–86. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-5.

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Greasley, Andrew. "Experimentation." In Simulation Modelling, 241–57. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-18.

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Greasley, Andrew. "Deriving Theoretical and Empirical Distributions Using Simio." In Simulation Modelling, 93–99. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-7.

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Greasley, Andrew. "Arena Scenario Analysis." In Simulation Modelling, 298–305. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-23.

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Greasley, Andrew. "Verification and Validation with Simul8." In Simulation Modelling, 238–40. London: Routledge, 2022. http://dx.doi.org/10.4324/9781003124092-17.

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Тези доповідей конференцій з теми "Chromatography modelling and simulation":

1

Mereu, Federico, Jayangi D. Wagaarachchige, Zulkifli Idris, Klaus-Joachim Jens, and Maths Halstensen. "Response Surface Modelling to Reduce CO2 Capture Solvent Cost by Conversion of OZD to MEA." In 64th International Conference of Scandinavian Simulation Society, SIMS 2023 Västerås, Sweden, September 25-28, 2023. Linköping University Electronic Press, 2023. http://dx.doi.org/10.3384/ecp200003.

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The increasing CO2 concentration in the atmosphere is the most urgent global challenge. The most mature CO2 abatement option is post-combustion CO2 capture employing Monoethanolamine (MEA) solvent. One challenge of using MEA is its in-service degradation to 2-oxazolidinone (OZD), a heterocyclic five-membered organic ring compound. Furthermore, OZD degrades more MEA leading to CO2 capture solvent loss and hence increased operational cost. It is therefore of interest to investigate methods to convert OZD back to MEA. This work reports the conversion of 2-oxazolidinone to MEA by heat treatment at an alkaline condition. Raman spectroscopy and Ion-Exchange chromatography were applied to qualify and quantify the reaction. The optimal reaction parameters were identified by an experimental design model using the Response Surface Methodology (RSM). A second-order model with three variables and five levels of focus was employed, with the OZD conversion percentage as the response. This methodology was chosen because such a model could estimate the main effects, interactions and quadratic terms by relying on a relatively small number of experiments. 17 experimental runs were designed by the software using this method. At a reaction time of 35 minutes, reaction temperature of 100°C, and 2.5 mole of hydroxide per mole of OZD resulted in a complete conversion of OZD to MEA.
2

Bulbul, Ashrafuzzaman, Kyeongheon Kim, and Hanseup Kim. "Modelling and Evaluation of Bubble Chromatography." In 2019 IEEE 32nd International Conference on Micro Electro Mechanical Systems (MEMS). IEEE, 2019. http://dx.doi.org/10.1109/memsys.2019.8870730.

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3

Hudson, Mary L., Richard Kottenstette, Carolyn M. Matzke, Greg C. Frye-Mason, Kim A. Shollenberger, Doug R. Adkins, and C. Channy Wong. "Design, Testing, and Simulation of Microscale Gas Chromatography Columns." In ASME 1998 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 1998. http://dx.doi.org/10.1115/imece1998-1244.

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Abstract A microscale gas chromatography column is one component in a microscale chemistry laboratory for detecting chemical agents. Several columns were fabricated using the Bosch etch process which allows deep, high aspect ratio channels of rectangular cross-section. A design tool, based on analytical models, was developed to evaluate the effects of operating conditions and column specifications on separation resolution and time. The effects of slip flow, channel configuration, and cross-sectional shape were included to evaluate the differences between conventional round, straight columns and the microscale rectangular, spiral columns. Experimental data were obtained and compared with the predicted flowrates and theoretical number of plates. The design tool was then employed to select more optimum channel dimensions and operating conditions for high resolution separations.
4

Li, Ling, Yuan-wei Jing, and De-cheng Yuan. "Modeling and Simulation of Simulated Moving Bed Chromatography Separation Process." In 2006 International Conference on Machine Learning and Cybernetics. IEEE, 2006. http://dx.doi.org/10.1109/icmlc.2006.258379.

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5

Goodman, C. "Modelling and simulation." In 2nd IEE Residential Course on Railway Electrification Infrastructure Systems. IEE, 2005. http://dx.doi.org/10.1049/ic:20050633.

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Goodman, C. "Modelling and simulation." In 3rd IET Professional Development Course on Railway Electrification Infrastructure and Systems. IET, 2007. http://dx.doi.org/10.1049/ic.2007.1655.

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Goodman, C. J. "Modelling and simulation." In 4th IET Professional Development Course on Railway Electrification Infrastructure & Systems (REIS). IET, 2009. http://dx.doi.org/10.1049/ic.2009.0004.

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Goodman, C. J. "Modelling and simulation." In 5th IET Professional Development Course on Railway Electrification Infrastructure and Systems (REIS 2011). IET, 2011. http://dx.doi.org/10.1049/ic.2011.0176.

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Goodman, C. J., and M. Chymera. "Modelling And Simulation." In 6th IET Professional Development Course on Railway Electrification Infrastructure and Systems (REIS 2013). Institution of Engineering and Technology, 2013. http://dx.doi.org/10.1049/ic.2013.0074.

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Brinkman, Paul, Anirban Sinha, Ariane Lammers, Job J. M. H. Van Bragt, Levi B. Richards, Yennece W. F. Dagelet, Mahmoud I. A. Ibrahim, et al. "Modelling electronic nose sensor deflections by matching Gas Chromatography-Mass Spectrometry exhaled breath samples." In ERS International Congress 2019 abstracts. European Respiratory Society, 2019. http://dx.doi.org/10.1183/13993003.congress-2019.pa4268.

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Звіти організацій з теми "Chromatography modelling and simulation":

1

Finch, J. A., A. Laplante, J. Leung, D. Laguitton, and L L Sirois. The SPOC manual Chapter 4 modelling and simulation. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 1985. http://dx.doi.org/10.4095/305018.

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2

Ortiz, Michael. Three-Dimensional Modelling and Simulation of Ballistic Impact. Fort Belvoir, VA: Defense Technical Information Center, May 2001. http://dx.doi.org/10.21236/ada393714.

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Hirsekorn, M., P. P. Delsanto, N. K. Batra, and P. Matic. Modelling and Simulation of Acoustic Wave Propagation in Locally Resonant Sonic Materials. Fort Belvoir, VA: Defense Technical Information Center, January 2002. http://dx.doi.org/10.21236/ada525809.

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4

Rabiti, C., A. Epiney, P. Talbot, J. S. Kim, S. Bragg-Sitton, A. Alfonsi, A. Yigitoglu, et al. Status Report on Modelling and Simulation Capabilities for Nuclear-Renewable Hybrid Energy Systems. Office of Scientific and Technical Information (OSTI), September 2017. http://dx.doi.org/10.2172/1408526.

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5

Brydie, Dr James, Dr Alireza Jafari, and Stephanie Trottier. PR-487-143727-R01 Modelling and Simulation of Subsurface Fluid Migration from Small Pipeline Leaks. Chantilly, Virginia: Pipeline Research Council International, Inc. (PRCI), May 2017. http://dx.doi.org/10.55274/r0011025.

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Анотація:
The dispersion and migration behavior of hydrocarbon products leaking at low rates (i.e. 1bbl/day and 10 bbl/day) from a pipeline have been studied using a combination of experimental leakage tests and numerical simulations. The focus of this study was to determine the influence of subsurface engineered boundaries associated with the trench walls, and the presence of a water table, upon the leakage behavior of a range of hydrocarbon products. The project numerically modelled three products including diesel, diluted bitumen (dilbit) and gasoline; which were chosen to span a range of fluid types and viscosities. Laboratory simulations of leakage were carried out for the most viscous product (i.e. dilbit) in order to capture plume dispersion in semi-real time, and to allow numerical predictions to be assessed against experimental data. Direct comparisons between observed plume dimensions over time and numerically predicted behavior suggested a good match under low moisture conditions, providing confidence that the numerical simulation was sufficiently reliable to model field-scale applications. Following a simulated two year initialization period, the leakage of products, their associated gas phase migration, thermal and geomechanical effects were simulated for a period of 365 days. Comparisons between product leakage rate, product type and soil moisture content were made and the spatial impacts of leakage were summarized. Variably compacted backfill within the trench, surrounded by undisturbed and more compacted natural soils, results porosity and permeability differences which control the migration of liquids, gases, thermal effects and surface heave. Dilbit migration is influenced heavily by the trench, and also its increasing viscosity as it cools and degases after leakage. Diesel and gasoline liquid plumes are also affected by the trench structure, but to a lesser extent, resulting in wider and longer plumes in the subsurface. In all cases, the migration of liquids and gases is facilitated by higher permeability zones at the base of the pipe. Volatile Organic Compounds (VOCs) migrate along the trench and break through at the surface within days of the leak. Temperature changes within the trench may increase due liquid migration, however the change in predicted temperature at the surface above the leak is less than 0.5�C above background. For gasoline, the large amount of degassing and diffusion through the soil results in cooling of the soil by up to 1�C. Induced surface displacement was predicted for dilbit and for one case of diesel, but only in the order of 0.2cm above baseline. Based upon the information gathered, recommendations are provided for the use and placement of generic leak detection sensor types (e.g liquid, gas, thermal, displacement) within the trench and / or above the ground surface. The monitoring locations suggested take into account requirements to detect pipeline leakage as early as possible in order to facilitate notification of the operator and to predict the potential extent of site characterization required during spill response and longer term remediation activities.
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Комарова, Олена Володимирівна, and Альберт Армаїсович Азарян. Computer Simulation of Biological Processes at the High School. CEUR Workshop Proceedings (CEUR-WS.org), 2018. http://dx.doi.org/10.31812/123456789/2695.

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Abstract. Research goals: the necessity of study in high school of the law of Hardy – Weinberg as one of the fundamental genetic laws was justified. The peculiarities of using the method of model experiment in the study of the genetic and evolutionary processes in populations with the use of computer technology. Object of research: computer simulation of population genetic structure. Subject of research: computer simulation of genetic and evolutionary processes in ideal and real populations. Research methods: pedagogical experiment (survey), analysis of scientific publications on the use of the high school method of modelling genetic and evolutionary processes in populations, computer simulation. Results of the research: a web page for processing by the pupils of the modelling results of genetic and evolutionary processes in populations was created.
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Комарова, Олена Володимирівна, and Альберт Арамаїсович Азарян. Computer Simulation of Biological Processes at the High School. CEUR-WS.org, 2018. http://dx.doi.org/10.31812/123456789/2656.

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Анотація:
Research goals: the necessity of study in high school of the law of Hardy – Weinberg as one of the fundamental genetic laws was justified. The peculiarities of using the method of model experiment in the study of the genetic and evolutionary processes in populations with the use of computer technology. Object of research: computer simulation of population genetic structure. Subject of research: computer simulation of genetic and evolutionary processes in ideal and real populations. Research methods: pedagogical experiment (survey), analysis of scientific publications on the use of the high school method of modelling genetic and evolutionary processes in populations, computer simulation. Results of the research: a web page for processing by the pupils of the modelling results of genetic and evolutionary processes in populations was created.
8

Sanz, Asier`. Numerical simulation tools for PVT collectors and systems. IEA SHC Task 60, September 2020. http://dx.doi.org/10.18777/ieashc-task60-2020-0006.

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The computer-based experimentation covers almost the entire activity chain of the PVT sector. The PVT community carries out very different kind of modelling and simulation labours in order to answer to very diverse needs, such as proof-of-concepts, research, design, sizing, controlling, optimization, validation, marketing, sales, O&M, etc.
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Venturini, Marco. Modelling of e-Cloud Induced Coherent Tuneshifts Using POSINST: Simulation of April 2007 Measurements at Cesr. Office of Scientific and Technical Information (OSTI), May 2009. http://dx.doi.org/10.2172/973941.

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Osadetz, K. G., Z. Chen, and H. Gao. SuperSD, Version 1.0: a pool-based stochastic simulation program for modelling the spatial distribution of undiscovered petroleum resources. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 2003. http://dx.doi.org/10.4095/214036.

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