Introductory description

To introduce students from a range of different backgrounds to advanced analytical techniques. To ensure students appreciate the links between need for measurement, instrumentation design, data quality and data analysis.

Module web page

Module aims

Outline syllabus

This is an indicative module outline only to give an indication of the sort of topics that may be covered. Actual sessions held may differ.

• Importance of and areas of applications of qualitative/quantitative analyses
• Experimental error
• Volumetric and gravimetric methods
• Optical spectroscopy:
  o Absorption, emission, fluorescence
  o Atomic and molecular spectra
  o Spectrophotometry
• Infrared spectroscopy
• Atomic spectroscopies/Elemental Analysis: Fundamentals, instrumentation, and applications of
  o Atomic absorption spectroscopy (AAS)
  o Atomic emission spectroscopy (AES)
  o Inductively coupled plasma spectroscopy (ICP)
• X-ray spectroscopy:
  o Absorption
  o Fluorescence
  o Diffraction
• Nuclear Magnetic Resonance:
  o Foundations of Nuclear Magnetic Resonance (NMR), e.g., spin angular momentum, Larmor frequency, instrumentation requirements, NMR interactions: chemical shifts, J and dipolar couplings, quadrupolar, Fourier transformation).
  o Basic concepts in solid-state NMR (magic-angle spinning, cross polarisation, 2D methods, applications to, e.g., pharmaceuticals).
• Circular and linear dichroism: spectroscopic principles, relationship of measured signals to molecular structure, sample preparation, instrument design, data collection and analysis.
• Raman Spectroscopy: spectroscopic principles, instrument design options, relationship of measured signals to molecular structure
• Surface Spectroscopies:
  o X-Ray Photoemission Spectroscopy (XPS)
  o Infrared Reflection Adsorption Spectroscopy (IRRAS)
  o Secondary Ion Mass Spectrometry (SIMS)
• Electrochemical sensors:
  o Fundamentals of electrochemical sensors
  o Scope of electrochemical sensor applications – from clinical diagnostics to environmental sensing
  o Integrated sensor systems, including functionalised interfaces
  o Frontiers in electrochemical sensing – new electrode materials, single molecule detection, nanoscale imaging, cheap (paper-based) platforms, microfluidics
• Mass spectrometry
  o Instrumentation
  o Mass Analysers: TOF, Quadrupoles, Ion Traps, Orbitrap and FT-ICR
  o Ionisation techniques: EI, CI, ESI-MS, MALDI, ambient techniques
  o Fragmentation techniques and Tandem MS (small molecules and peptides)

Learning outcomes

By the end of the module, students should be able to:

• To ensure students appreciate the links between need for measurement, instrumentation design, data quality and data analysis.
• Show an advanced understanding of the: - fundamental principles behind classical analytical and spectroscopic methods. - functions of various components in complex spectroscopic instrumentation.
• Discriminate between various analytical techniques, understanding the advantages, disadvantages and current applications of each.
• Demonstrate the ability to evaluate and interpret data from a variety of measurements.
• Display practical consideration for sources and treatment of experimental error.
• Use instrumental analytical techniques in characterisation of molecules.
• Understanding of instrument construction and origin of measured signal.
• Know what signal the instrument produces and how that is transformed into the output the user receives.
• Understand how the instrument output is used to deduce molecular information.

Indicative reading list

D.A. Skoog, D.M. West, and F.J. Holler, Crouch, Fundamentals of Analytical Chemistry, 9th Edition
D.C. Harris, Quantitative Chemical Analysis, 7th edition.
Holler, Skoog, Crouch, Principles of Instrumental Analysis, 6th Edition.
Circular and linear dichroism, A. Rodger and B. Nordén, Oxford University Press, 1997
Spin Dynamics, Basics of Nuclear Magnetic Resonance, Malcolm H. Levitt, Wiley 2001, ISBN 0 471 48922 0
Primary literature in the relevant fields, to be updated annually.

Subject specific skills

Subject knowledge and understanding:

• Show an advanced understanding of the:
• fundamental principles behind classical analytical and spectroscopic methods.
• functions of various components in complex spectroscopic instrumentation.
• Discriminate between various analytical techniques, understanding the advantages, disadvantages and current applications of each.
• Demonstrate the ability to evaluate and interpret data from a variety of measurements.
• Display practical consideration for sources and treatment of experimental error.
• Use instrumental analytical techniques in characterisation of molecules.
• Understanding of instrument construction and origin of measured signal.
• Know what signal the instrument produces and how that is transformed into the output the user receives.
• Understand how the instrument output is used to deduce molecular information.
  Key Skills
• Ability to write reports on work undertaken.
• Ability to present the results of research and workshops.
  Cognitive Skills:
• Critically analyse experimental data
• Comprehensively assess errors in data
• Test hypotheses using experimental data
• Interpret results with aid of information from literature.
  Subject-Specific/Professional Skills:
• Know how to prepare samples and collect data for each technique studied.
• Know how to analyse data from each technique.
• Know how to use the data to deduce molecular-level structure, dynamics and interactions.
• Understanding of instrument output versus data file produced.

Transferable skills

TBC