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爱尔兰最大的制药研究中心开放3个phD位置【化学类的同学可以一试】 已有5人参与
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PhD projects in Chemistry/Chemical Engineering University of Limerick, Ireland The project is part of a ?40M research program devoted to manufacturing of pharmaceuticals: The Synthesis and Solid State Pharmaceutical Centre, SSPC. The center have 6 academic partner institutions and 15 industrial companies, and will operate for six years: 2013 ?C 2019. The project is financed for four years. The students should ideally have a BEng/MEng in chemical engineering or BSc/MSc in chemistry, material science or physics. Crystallization Kinetics, 2 PhD positions. Crystallization kinetics is of key importance for design of crystallization processes. The objective of the first project is to develop a greater understanding of the crystal growth of large, flexible molecules. The crystal growth process will be investigated for specific faces of single crystals grown under the microscope, and for crystals freely suspended by agitation, and data will be evaluated against current theories. Overall growth rate of the crystals will also be determined and data fit to known empirical relationships. The molecular conformational distribution in solution will be modeled by molecular dynamics and quantum mechanical methods, energetic pathways between conformations will be analysed and solute ?C solvent interactions will be investigated. The objective of the second project is to develop a greater understanding of crystal nucleation of pharmaceutical molecules, by experimental work and molecular modelling. The work will explore the importance of solvation and desolvation, and the molecular solute-solute interactions in solution. and to identify why some systems are harder to crystallise. The work will use FTIR, Raman, dynamic light scattering (DLS), and nano-particle tracking (NPT), to investigate the conditions in undersaturated and supersaturated solutions. The conformational distribution in solution will be modeled by molecular dynamics and quantum mechanical methods analyzing energetic pathways between conformations. The molecular dynamics studies will further examine of the structuring in solution, solvation and desolvation, and molecular clustering. Thermodynamics of multicomponent crystalline materials, 2 PhD positions. Co-crystals offer new opportunities for the pharmaceutical industry to tailor-make the properties of the active ingredient. The objective of the first project is to develop a greater understanding of co-crystal phase diagrams and their application in the designed creation of new functional materials. The work will include experimental determination of phase diagrams, measurement of the thermodynamic properties of the component phases and of the resultant co-crystals where possible, and investigation of the relationships between these properties and the resultant phase diagrams. The work will also include investigation into how the solvent and the temperature change the overall appearance of the phase diagram (e.g. size and location of regions of phase stability). Molecular and thermodynamic modeling will be used to develop suitable models to aid in the prediction of successful co-crystal formation and prediction of co-crystal properties. The objective of the second project is to develop processes for manufacturing of co-crystals. Following from construction of phase diagrams in a range of solvents and at different temperatures of the system, nucleation and growth kinetics will be measured in different regions of the phase diagram. How the nature of the phase diagram affects the choice of crystallisation method (e.g. cooling, evaporation, slurry conversion) and the reproducibility of the final product will be studied. Variations in the particle properties (e.g. shape, size) depending on the solution composition and supersaturation will be investigated and their influence on the dissolution properties of the co-crystal will be determined. Contact: professor Åke Rasmuson, University of Limerick, email: ake.rasmuson@ul.ie |
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