Nuclear Magnetic Resonance Centre for Spectroscopy

Nuclear Magnetic Resonance Centre for Spectroscopy

A Campus Designated Research Centre

This is a specialist Institute designated research centre of excellence within the larger Centre of Applied Science for Health. This centre built around research activities dependant on NMR spectroscopy, including research in inorganic and organic synthesis, and in molecular recognition, supported by Bruker Avance 300 MHz & 500 MHz multi-nuclear NMR spectrometers, the latter also equipped with a solid-state NMR probe, and an associated programme in computational chemistry. 

PI Name: Dr. Brian A. Murray
Other Staff: Dr. Bernie Creaven, Dr. Adrienne Fleming, Dr. John Moran
Other related Research groups & activities:  MDS (Molecular Design & Synthesis); NMR-ITT! (external NMR service of ITT); CASH (Centre of Applied Science for Health).

In the last 5 years 
Industry direct funding to the tune of €188 K, with additional funding for research of in excess of €10M since its formation.

Prof. Craig Butts, University of Bristol;
Dr. Tony Morton-Blake, Trinity College Dublin & Dr. Ed Carey, ITT;
Dr. Bernie Creaven, ITT; Dr. Fintan Kelleher, ITT; Dr. Mary Deasy, ITT.

(a recent selection of theses, conference presentations, and book chapters from a record of over 100 publications):

  • Recent PhD theses:  John Moran: “Synthesis and Binding Studies of Rotameric Molecular Clip Receptors for Dihydroxybenzenes: Exploration of Substituent Effects in Host and Guest”;  ITT Dublin, 2015;
  • Zenefar Yeasmin: “Conformational Analysis and Binding Studies of New Rotameric Molecular Clip Receptors”;  ITT Dublin, 2013;
  • Lien Luu:  “Conformational and Binding Studies of Urea Clip Receptors by Quantum Chemical and Molecular Dynamics Investigations”;  ITT, 2012.
  • Recent Conference Oral Presentation: “Rotameric Molecular Clip Receptors: Rates, Equilibria, & Geometry via VT-NMR & Quantitative nOe” (Bruker Irish NMR Meeting:  Dublin;  12 June 2017).
  • Recent Poster Presentations: “The Use of DoSy and other Dynamic NMR Techniques to Investigate Urea-Based “Molecular Clip” Receptors that Display Rotameric Behaviour” (2 Posters) (RSC NMR Discussion Group Meeting:  Birmingham, 31 March 2015).
  • Book Chapter: Annual Review:  “The Reactions of Aldehydes & Ketones and their Derivatives”:  chapter 1 of “Organic Reaction Mechanisms”;  annual publication 1995–2006 and 2009-2017”, ed. A. C. Knipe, John Wiley & Co.

Inaugural Nanjing University of Technology-ITT Bilateral Research Meeting, Nanjing, China 12 April 2018, including presentation “Rotameric Molecular Clip Receptors:Rates, Equilibria, & Geometry via VT-NMR & Quantitative nOe”.

Provides an NMR service to industry

  • Dr. Brian Murray was President of Institute of Chemistry of Ireland (2011-13), winning & organizing EuCheMS (European Chemical Societies) General Assembly for Dublin in 2012.
  • Organized multi-disciplinary industrial conferences with Dr. David Birkett (SCI - Society of Chemical Industry, and Henkel Ireland), with ITT as a venue (e.g. 3D-printing 31 August 2017) 
  • Schools Competition: organized first SciFest in IT Tallaght in 2006, now in 15 centres throughout Ireland
  • Active in ITT’s Joint BSc(Hons) Pharma Sci programme with Nanjing University of Technology, including extensive teaching in Years 1-3 in Nanjing, and Year 4 in ITT
  • Extensive postgraduate supervision experience (12 PG students successfully supervised and graduated)
  • Internal and External Examiner for MSc and PhD theses across the Institute and University sector at national level
  • Set up “NMR-ITT!”, the external NMR service of ITT for SME’s in our region and for other third-level institutions without NMR facilities.
  • Developed Level 10 module for students registered on structured PhD programmes in NMR & Molecular Recognition across the Dublin Regional Higher Education Alliance.