Analytical Chemistry and Measurement Science

This unit considers the basis of analytical science using titrimetric and gravimetric analysis as the starting techniques for discussion.

Knowledge and understanding

• Select an appropriate analytical technique based on analytical figures of merit.
• Indicate the differences between classical and instrumental techniques in terms of accuracy and precision.
• Identify the important steps in chemical analysis.
• Analyse the level of an analyte using classical and spectroscopic techniques.
• Identify the important factors in obtaining valid data.

Intellectual skills

• Calculate the level of an analyte from practical analytical data.
• Identify unknowns from spectroscopic data.
• Justify the selection of analytical techniques based on analytical figures of merit.
• Calculate the limit of detection and quantification.
• Construct and critically evaluate quality control data.

Practical skills

• Critically evaluate practical analytical data for classical techniques, spectroscopy, and chromatography.
• Prepare formal reports based on the effectiveness of data obtained.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on analytical measurements and their analysis.
• Perform group work with practical data through discussion forums.
• Participate in online discussions and tutorial sessions using enhanced communication skills.

In this unit, you'll explore methods of achieving chemical analysis goals based on column chromatography - an enormously important group of techniques in industry and academic research.

Knowledge and understanding

• Describe the fundamental principles and mechanisms of chromatography separations.
• Describe the instrumentation commonly used in separation science.
• Explain the methodology of instrument optimisation based on the requirements of the analysis.
• Compare and contrast examples of major commercially available chromatography systems.

Intellectual skills

• Calculate the efficiency of separation given experimental parameters and predict performance changes under given conditions.
• Perform calculations involving chromatographic parameters under given experimental conditions and interpret the results in terms of analytical performance.
• Select and justify appropriate chromatographic conditions and detector technology to address given research problems.
• Critically assess the choice of separation science methodology in selected examples from the research literature.

Practical skills

• Perform modelling of the chromatographic process and method optimisation.
• Operate computer simulation packages to explain experimental data.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on chromatographic separations and their analysis.
• Participate in online discussions and tutorial sessions using enhanced communication skills.

In the Mass Spectrometry unit, you will learn about the use of mass spectrometry in the modern analytical laboratory. With a focus on how you might be applying mass spectrometry in your workplace, this unit will cover the fundamentals as well as topical applications of mass spectrometry.

Knowledge and understanding

• Describe and explain the principles of operation of common mass analysers.
• Explain the major methods of ionisation and their applications.
• Describe the principles underlying ion detection and data acquisition.
• Explain the principles and applications of tandem mass spectrometry.
• Explain the principles of hyphenated chromatography-mass spectrometry and the experimental requirements for coupling chromatography to mass spectrometers.
• Compare and contrast examples of major commercially available mass spectrometers.

Intellectual skills

• Apply the principles of mass analysis and the program SIMION to explain mass spectrometric processes.
• Perform systematic interpretation of mass spectrometry data and perform structural analysis using that data.
• Select the optimum ionisation method for analysis for a range of chemical compounds and biological mixtures.
• Deconstruct and critique descriptions of mass spectrometry analysis in published work and technical reports.
• Solve a range of unseen analytical problems in mass spectrometer and hyphenated variants. 

Practical skills

• Resolve and troubleshoot practical issues with a mass spectrometer.
• Propose and optimise experimental conditions in hyphenated chromatographic-mass spectrometer analysis.
• Transferable skills and personal qualities.
• Produce accurate, efficient and coherent reports on mass spectrometric and hyphenated measurements and their analysis.
• Participate in online discussions and tutorial sessions using enhanced communication skills.

In this unit, you'll encounter analytical applications of atomic and molecular spectroscopy. The Atomic and Molecular Spectroscopy covers theory, instrumentation, and topical, practical applications, and you will provide you with the tools you need to develop and expand your expertise.

Knowledge and understanding

• Outline the principles of the main techniques in atomic and molecular spectroscopy (atomic absorption and emission, UV-visible, IR, Raman and fluorescence).
• Describe and explain the instrumental basis of each of the main techniques, including sample preparation and presentation.
• Identify potential sources of interference and common sources of quantitative errors in each technique.
• Compare and contrast examples of commercially available spectroscopy systems.

Intellectual skills

• Propose and apply methods for minimisation of interferences and artefacts in spectroscopic data.
• Calculate the concentration of an unknown sample from analytical atomic spectroscopic data
• Identify unknown molecules using molecular spectroscopy based on systematic spectral interpretation.
• Select and apply specific spectroscopic techniques to unseen scenarios and problems in analytical science, and analyse the resulting data qualitatively and quantitatively
• Deconstruct and critique descriptions of atomic and molecular spectroscopic analysis in published work and technical reports.

Practical skills

• Perform systematic spectral analysis on unseen sample data.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on analytical spectroscopic measurements and their analysis.
• Participate in online discussions and tutorial sessions using enhanced communication skills.

Magnetic resonance (MR) is arguably the most important spectroscopic methods for structural information available to the chemist. This unit covers theory, and practical application of both NMR and EPR, the two most important MR techniques for the chemist.

This unit aims to provide you with a broad overview of analytical techniques based on Nuclear Magnetic Resonance (NMR) and Electron Paramagnetic Resonance (EPR) magnetic resonance for chemical applications.

During your studies, you will survey the types of analytes that can be detected and quantified using modern magnetic resonance-based techniques. You’ll learn how to select appropriate methods for a range of analytical scenarios and to rationalise your choices in terms of viability, selectivity and cost. You’ll also investigate in detail the key experimental and instrumental aspects of each method.

Knowledge and understanding

• Outline the principles of the main techniques related to magnetic resonance.
• Describe and explain the theoretical/instrumental basis of each of the main techniques, including data acquisition and interpretation.
• Compare and contrast the advantages and disadvantages of each technique and select an appropriate methodology for a specific application.

Intellectual skills

• Solve a range of unseen analytical problems using magnetic resonance techniques.
• Deconstruct and critique descriptions of NMR and EPR analysis in published work and technical reports.
• Identify unknown molecules using magnetic resonance techniques based on systematic spectral interpretation.

Practical skills

• Perform systematic spectral analysis on unseen sample data.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on magnetic resonance measurements and their analysis.
• Participate in online discussions and tutorial sessions using enhanced communication skill.
• Demonstrate enhanced skills in enquiry-based group work, reporting and operation of computer simulation packages.

In this unit, you will develop and formulate a sound understanding of various X-ray spectroscopy methods relevant to the high-level analytical study.  You will investigate in detail the key experimental and instrumental aspects (spectrometer design and set-up, sampling methods, data acquisition, errors and interferences) of each method and explore various methods for the calibration of spectroscopic data for use in quantitative analysis.

Knowledge and understanding

• Outline the fundamental principles of X-ray generation and the interactions that occur between X-rays and matter.
• Describe and explain the origins of the major spectral features observed within X-ray techniques.
• Describe and explain how powder diffraction is performed experimentally and how to interpret basic diffraction patterns for common Bravais lattices.
• Identify potential sources of interference and common sources of quantitative errors in each technique.
• Interpret the coordination geometry, valence and spin state of transition metal ions by analysis of XANES data.

Intellectual skills

• Select and apply x-ray spectroscopic techniques to unseen scenarios and problems in analytical science, and analyse the resulting data qualitatively and quantitatively.
• Propose and apply methods for minimisation of interferences and artefacts in x-ray spectroscopic data.
• Calculate the concentration of an unknown analyte from analytical x-ray spectroscopy data.
• Deconstruct and critique descriptions of X-ray analysis in published work and technical reports.

Practical skills

• Perform systematic spectral analysis on unseen sample data using various x-ray techniques to obtain qualitative and quantitative identification.
• Deconstruct and critique X-ray spectral data to select an appropriate analysis technique.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on analytical X-ray spectroscopic measurements and their analysis.
• Participate in online discussions and tutorial sessions using enhanced communication skills. 

This unit will introduce a wide variety of chemometric analyses including basic statistics, multivariate analysis and its validation, as well as the design of experiments (DoE). Hands-on computational training will be provided helping you to implement the full data analysis pipeline needed for successful multivariate analyses.

Knowledge and understanding

• Outline the principles of the main techniques in chemometric analyses including basic statistics, design of experiments (DoE) as well as the implementation of the full pipeline needed for successful multivariate analyses.
• Identify and select an appropriate chemometric technique based on a specific analytical data set and type of analysis.
• Identify potential sources of error in the application of chemometric approaches.
• Compare and contrast chemometric approaches for specific data sets.
• Describe and explain the chemometric requirements for the design of experiments (DOE) with reference to instrumental optimisation.

Intellectual skills

• Select and apply specific chemometric techniques to unseen scenarios and problems in analytical science and laboratory data.
• Calculate optimum conditions for an analytical procedure using DOE. 
• Calculate and identify sugar contaminants in fresh juices using PCA analysis.
• Deconstruct and critique descriptions of chemometric approaches to spectroscopic analysis in published work and technical reports.
• Compare and contrast analytical data before and after multivariate data analysis for the identification of chemical markers.

Practical skills

• Perform systematic spectral analysis on unseen sample data.

Transferable skills and personal qualities

• Produce accurate, efficient and coherent reports on the use of chemometric approaches to analytical data.
• Participate in online discussions and tutorial sessions using enhanced communication skills.

The research-based project will look at an area of current analytical research interest to the student and supervisor. Those based in an industrial environment may carry out the project with a joint supervision team of an industrial supervisor and an academic supervisor. Those not based in a lab can opt to attend The University of Manchester to carry out the project, for an additional fee of £3,000 (plus expenses). Explore our lab facilities.

You will need to undertake a practical project in any analytical area provided you have access to the relevant equipment. The project will be jointly supervised by an academic supervisor from the Department of Chemistry and an industrial supervisor from your employer. A minimum of 100hrs practical work will be required. This may include 'hands-on' method development or novel application of a specific technique and you will require laboratory space and equipment to fulfil the project. If you are using your employer's laboratory space and equipment, you will need to gain official permission and commitment from your industrial supervisor.

Typical areas may include:

• Chromatography e.g. gas chromatograph (GC)
• High-performance liquid chromatography (HPLC)
• Mass spectrometry (MS)
• Atomic spectroscopy (AAS)
• Emission or mass spectrometry (ICP-OES, ICP-MS)
• Molecular spectroscopy (visible/ultraviolet, Raman, infrared)
• Classical analysis, magnetic resonance (NMR, EPR)
• X-ray techniques

Many other techniques are available. 

If you are unable to complete a practical project, you can choose to complete a theoretical/computational project that can be done remotely, for an additional fee of £1,000.