Research Fellow - Spectroscopy/ Computational & Physical-Organic Chemistry

The University of the West Indies, St. Augustine Campus Trinidad and Tobago, W.I.

Telephone: 868-662-2002
Ext. 84053/84256

Email: Nadia.Singh@uwi.edu


Research Interests

My research interests are in the fields of spectroscopy, computational and physical-organic chemistry.

I currently specialize in applying multi-dimensional and multi-nuclear NMR (Nuclear Magnetic Resonance) spectroscopic techniques in structural elucidation and in the investigation of chemical reactions. This includes the application of variable temperature NMR studies to investigate the kinetics of dynamic systems and conformational analysis.

I also use computational ab-initio and DFT techniques to calculate, identify, determine the orientation of, and compare the computationally derived NQR (Nuclear Quadrupole Resonance) Electric Field Gradients (EFG) of selected quadrupolar nuclei with experimentally derived EFG values. By extension, this information is used to calculate electron density and examine the electron distribution around selected atoms in the molecule to determine the role it plays in the structure, bonding, and possible interactions of these nuclei in different compounds.   

Selected Publications

Singh, N. and Stephenson, D., 14N NQR spectrum of Albendazole.  Interactions 2026, 247, 339. DOI: 10.1007/s10751-026-02653-0

Singh, N. and Stephenson, D., 14N NQR spectrum of Nitrourea.  Interactions 2026, 247, 321. DOI: 10.1007/s10751-026-02647-y

Singh, N. and Stephenson, D. 14N NQR Spectra of two Benzodiazepines: Diazepam and Lorazepam.  Interactions 2024, 245, 63. DOI: 10.1007/s10751-024-01871-8

Singh, N. and Stephenson, D., 14N NQR spectrum of Glybenclamide (aka Glibenclamide).  Interactions 2024, 245, 54. DOI: 10.1007/s10751-024-01872-7

Rambaran, V. H., Sue Chee Ming, W., Singh, N., Nandini R. J., Tang Kai, M., Surendran, A., Krishna, M. and Jaleel, A. The Design, Spectrochemistry and Toxicity Evaluations of Two Vanadium (IV) Complexes: [V(IV)O(2,6-Pyridine Diacetatato) (H2O)2] (PDOV) and V2(IV)O2(Pyrazine-2,3,5,6-Tetracarboxylato)(H2O)4] (PYTOV). Inorganica Chimica Acta 2023, 556, 121662. DOI: 10.1016/j.ica.2023.121662

Boodram, S.; Roy, S.; Singh, N; Fairman, R. A.; Peter, S. C; Rambaran, V. H. Investigations into an Intramolecular Proton Transfer and Solvent Dependent Acid-Base Equilibria in 2,6-Pyridine Diacetic Acid. Chemistry Select 2019 4, 4301. DOI: 10.1002/slct.201900331

Stephenson, D. and Singh, N. 53Cr, 17O and 14N nuclear quadrupole resonance in ammonium dichromate. Hyperfine Interactions 2016, 23, 118, 1-8. DOI: 10.1007/s10751-016-1332-3

Stephenson, D. and Singh, N. 14N NQR spectrum of sildenafil citrate. Hyperfine Interactions 2015, 231, 1. DOI: 10.1007/s10751-014-1077-9

Jeffrey, R.; Singh, G.; Plaza-Alexander P. G. J.; Singh, N.; Goodman, J. M.; Bacchi, A.; Punzo, F. Synthesis of 2,3-O-benzyl-ribose and xylose and their equilibration. Tetrahedron Asymmetry 2014, 25, 1424-1429. DOI: 10.1016/j.tetasy.2014.09.004

Singh, N. and Stephenson, D. 14N NQR study of selected 1,4-benzoquinonedioximes. Hyperfine Interactions 2011, 197, 309-315. DOI: 10.1007/s10751-010-0239-7

Beepath, N. and Stephenson D. 14N Study of Aromatic Nitroso Compounds. Hyperfine Interactions 2004, 159, 137. DOI: 10.1007/s10751-005-9092-5

Qualifications

  • Ph.D. Chemistry (High Commendation) The University of the West Indies 2010 (Supervisor, Dr. David Stephenson)
  • B.Sc. Chemistry/ Management (Hons) The University of the West Indies 2000

Fellowships and Training

  • Generative AI in Higher Education: Teaching and Learning, CETL1002 (CETL, June 2026)
  • Ethics Course (Citibank, May 2026)
  • 19th Biomolecular NMR Course: Advanced Tools, AI perspective, 29th Sep – 3rd October 2025, Swedish NMR Centre, University of Gothenburg, Sweden
  • Introduction to Teaching and Learning in Higher Education, CETL1001 (CETL, Dec2024/Jan 2025)
  • Essentials of Online Course Design (UWI Office of Online Learning, June/July 2023)
  • UWI Innovation and Entrepreneurship Bootcamp (Feb - Apr 2023)
  • Essentials of Online Facilitation (UWI Office of Online Learning, July/Aug 2022)
  • 3 NMR Courses at the Bruker Biospin facility in Fallanden, Switzerland (Sept 2010) – Basic Avance 1D/2D; Advanced NMR Methods; NMR Methods for Labelled Proteins
  • Training with Professor Peter Pulay, Computational Chemistry (Accurate Atomistic Modelling of Solution: NSF Supported project #1213870) at the University of Arkansas, Fayetteville, Arkansas – June-July 2014
  • Training with Professor Peter Pulay, Computational Chemistry (QM/MM calculations of NMR chemical shifts using Monte Carlo Simulations to examine solvent effects) at the University of Arkansas, Fayetteville, Arkansas – May-July 2013

Professional Experience

  • Research Fellow, UWI, St. Augustine, Nov 2022- Present
  • Development Engineer III, UWI, St. Augustine, Aug 2011 – Oct 2022
  • Development Engineer I/II, UWI, St. Augustine, Aug 2006 – Jul 2011
  • Part-time Summer Lecturer, UWI, St. Augustine, May 2004 – Aug 2017
  • Teaching Assistant/Demonstrator, UWI, St. Augustine, Aug 2000 – July 2006

Honours and Awards

  • U.W.I. Postgraduate Scholarship (2000)
  • Best 2nd (1999) and 3rd (2000) year Chemistry/Management Student

UWI Service

  • Committee Member, Post-Graduate Curriculum Review and Reform Committee
  • Committee Member, Labs, Instruments, Facilities, and Services Committee
  • Committee Member, Outreach Committee

Professional Memberships

  • AMMRL – Association of Managers in Magnetic Resonance Laboratories.
  • ISMAR – International Society of Magnetic Resonance
  • ACS – American Chemical Society
  • WATOC – World Association of Theoretical and Computational Chemists

Courses Taught

  • CHEM 1067- Introduction to Chemistry II
  • CHEM 1068- Introduction to Chemistry III
  • CHEM 2270 Organic Chemistry I (Tutor)
  • CHEM 2370 Organic Chemistry II (Tutor)
  • CHEM 2370 Physical Chemistry I
  • CHEM 3273 Synthesis of Blockbuster Drugs
  • CHEM 3373 Advance Topics in Physical Chemistry
  • CHEM 3670 Research Project for Chemistry Majors
  • CHEM 6260: Advanced Spectroscopy and Organic Synthesis
  • CHEM 6560: Research Techniques in Chemistry

Research Projects

  • Experimental and theoretical calculation of 14N NQR (nuclear quadrupole resonance) parameters to authenticate compounds of pharmaceutical and chemical interest. Collaborator: Dr David Stephenson
  • Investigation of the chemical properties and behaviour of novel vanadium complexes proposed as potential candidates in the treatment of diabetes. Collaborators: Dr Varma Rambaran et al.
  • A Biochemical Test as a Rational Basis to Select Potential Amino Acids and/or Natural Products to Reduce the extent of Protein Glycation Processes. Collaborators: Professor Dyer Narinesingh et al.
  • Profiling of honey. Collaborators: Dr Faisal Mohammed et al.

Grants

  • CR&P Grant (CRP.3.NOV23.07) - A Biochemical Test as a Rational Basis to Select Potential Amino Acids and/or Natural Products to Reduce the extent of Protein Glycation Processes (2023)
  • CR&P Grant (CRP.4.JUN20.08) - Investigation of the factors affecting the equilibria in natural sugars and selected derivatives using Nuclear Magnetic Resonance (NMR) Spectroscopy (2020) ; Co-applicant

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