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May 13-14, 2019 | Prague, Czech Republic
Chemistry and Medicinal Chemistry
9
th
World Congress on
Page 48
Asian Journal of Biomedical and Pharmaceutical Sciences | Volume 9
ISSN: 2249-622X
Feng Wang
Swinburne University of Technology, Australia
Decoding isomer fingerprints using Molecular Spectroscopy:
Experiment and theory
I
somers are responsible for biodiversity and bioactivity.
Structure dictates properties: An isomer of a potent
drug can be toxic. Due to the same composition but
different configuration, isomers such as conformers
and chiral enantiomers share significant similarities
and subtle differences in many properties except for
their fingerprint properties. Spectroscopy is a powerful
technique to decode fingerprints of isomers when
supported by computer powered quantum mechanics.
Scientific discoveries in digital age is moving from assisting
and analyzing results of spectral characterization to
guided designing, controlling and driving experiments
with more rational knowledge. Physical properties of
almost all materials should be predictable, in principle,
by solving the quantum-mechanical equations governing
their constituent electrons. This presentation will cover
a broach spectrum of theory driven discoveries in
molecular spectroscopy at Swinburne University through
international collaborations in recent years. In particular,
the narrative of collaboration leading to breakthrough of
the structure of organometallic compound ferrocene using
IR spectroscopy will be presented. I will also report our
recent studies using electron momentum spectroscopy
(EMS), X-ray photoemission spectroscopy (XPS), nuclear
magnetic resonance (NMR) spectroscopy and UV-Vis
spectroscopy to decode the fingerprints of isomers and
their intramolecular hydrogen bonding interactions of
isomers with biological and pharmaceutical applications.
Ferrocene, anticancer drugs, amino acids and other organic
compounds such as furfural and tetrahydrofuran etc will be
discussed.
Speaker Biography
Feng Wang (PhD Theoretical/Computational Chemistry, Spectroscopy)
is Professor of Chemistry and Deputy Chair of Department of Chemistry
and Biotechnology at Swinburne University of Technology, Australia.
She received her PhD degree at the University of Newcastle (Australia,
1994), worked at the University of Waterloo (1994-1996) as an NSERC
Canada International Postdoctoral Fellow and Research Fellow at
School of Chemistry, The University of Melbourne (1996-2000). After
a short period at a supercomputer centre, she joined Swinburne
University of Technology in 2003. She has led many theoretical/
computational chemistry driven discoveries in a broad spectrum of
applications in medicinal, biological, solar energy etc in chemistry and
physics and has published over 150 peer reviewed journal articles. She
is Honorary Professor at School of Chemistry, University of Melbourne,
Fellow of RACI and Fellow of the AIP. She also serves on national
scientific research committees such as the National Computational
Merit Allocation Committee (NCMAC, Australia) and has been an expert
panel member for National Research Councils including Ireland, Czech
Republic, Portugal, Romania and Canada (Quebec) etc.
e:
fwang@swin.edu.auFeng Wang, Asian J Biomed Pharmaceut Sci, Volume:9
DOI: 10.4066/2249-622X-C2-019
Notes: