Harnessing Nuclear Quadrupole Resonance (NQR) for explosives detection and medicines authentication
Submitting Institution
King's College LondonUnit of Assessment
PhysicsSummary Impact Type
TechnologicalResearch Subject Area(s)
Physical Sciences: Other Physical Sciences
Chemical Sciences: Analytical Chemistry
Biological Sciences: Biochemistry and Cell Biology
Summary of the impact
Nuclear Quadrupole Resonance (NQR) methods developed by researchers at
King's College London have been applied to the creation of systems to:
1) Authenticate pharmaceuticals with the potential to thwart a global
black market of counterfeit medicine and thereby saving lives. As a result
of its interaction with KCL researchers, Italian instrument manufacturer
Stelar s.r.l. has etablished a capability in NQR spectroscopy, and
developed a new NQR-based prototype product for portable medicine
authentication.
2) Detect explosives and narcotics, for the improvement of security and
public safety levels. KCL researchers have had a major impact and enabling
influence for companies in the USA and UK working in this field, and have
transferred know-how to the China Institute of Atomic Energy, for the
development of NQR explosives detection systems.
Underpinning research
Nuclear Quadrupole Resonance (NQR) is a branch of Magnetic Resonance
spectroscopy in which the signal arises from the interaction of the
electric quadrupole moment of the quadrupolar nuclei in the sample with
the electric field gradient surrounding the nuclei. Radio-frequency
radiation excites transitions between the energy levels induced by this
interaction at frequencies that are characteristic of a given material and
can be used, therefore, not only to identify it but also to estimate
quantity. Unlike the closely related technique of nuclear magnetic
resonance (NMR), no static magnetic field is necessary, so remote
materials and large volumes can be examined. Whereas the nuclear
quadrupole moment is an intrinsic property of the element, the
electrostatic field distribution is governed by the nature of the chemical
bonds of the quadrupolar nucleus within the molecule's structure. As a
consequence, the NQR spectrum is specific to each molecule and thus
provides a unique fingerprint. NQR can be used to analyse a broad range of
solid materials and, in particular, it is ideally suited for the analysis
of 14N, a spin-1 nucleus, which is the most commonly
distributed quadrupolar nucleus found in explosives and in
pharmaceuticals. Other quadrupolar nuclei that are commonly found in
medicines include 23Na, 35Cl, and 79Br.
Professor John Smith led an active programme in NQR spectroscopy and
instrumentation development at King's College London from 1985 until his
death in 2013. His research was concerned with the development and
application of NQR methods, in particular 14N-NQR, to detect
signals from many solid explosives and drugs allowing unequivocal
identification and quantitative assessment. Research at KCL since 1993 led
to advances in pulsed NQR methods leading to shortened detection times and
enhanced sensitivity of detection of 14N frequencies, and
included NQR detection of explosives in vehicles, a study of the structure
and NQR spectrum of heroin hydrochloride, and the characterisation of
pharmaceutical materials.
Since 2003 the research focus has been concerned with integrating NQR
with advanced detection and classification techniques, in a programme in
collaboration with Professors Althoefer and Seneviratne in the Division of
Engineering (from 2010 the Department of Informatics). Since 2008 this
work was extended to new methods integrating Polarisation-Enhanced (PE)
NQR and NMR with advanced detection and classification techniques. Through
the development and introduction of stochastic excitation methods and
appropriate model-based data processing and classification techniques, the
KCL NQR group has successfully created NQR-based detectors capable of
detecting different explosives and drugs with significantly reduced
detection times compared to previous methods. Exploiting the low magnetic
fields used for PE-NQR, the group was able to successfully integrate NQR
with NMR to extend the detection from solids to liquid explosives.
The KCL NQR research programme has been supported by a range of sources
including industry. EPSRC grant GR/K98285/01 "Nuclear Quadrupole Resonance
in Analytical Science", held by Professor Smith, provided funding between
1997 and 1999. Since 2003 funding awards to the NQR Group include those
from EU, Wellcome Trust, the Home Office Scientific Development Branch,
MOD and DSTL, and the International Atomic Energy Agency.
References to the research
[1] M. H. Palmer, M. M. P. Kurshid, T. J. Rayner & J. A.S. Smith. Experimental
and theoretical studies of the 14N quadrupole
tensors in 1H-1,2,3-benzotriazole. Chemical Physics 182,
27-37 (1994). DOI: 10.1016/0301-0104(93)E0450-A
[2]* E. Balchin, D. J. Malcolme-Lawes, M. D. Rowe, J. A. S. Smith, M.J.
Bearpark, J. W. Steed, W.Wu, A. J. Horsewill and D. Stephenson. The
unusual solid state structure of heroin hydrochloride monohydrate and
its selective detection using NQR spectroscopy. New J. Chemistry 28,
1309-1314 (2004). DOI: 10.1039/b401797h
[3]* E. Balchin, D. J. Malcolme-Lawes, I. J. F. Poplett, M. D. Rowe, J.
A. S. Smith, G. E. S. Pearce, and S. A. C. Wren, Potential of Nuclear
Quadrupole Resonance in Pharmaceutical Analysis. Anal. Chem.
77, 3925-3930 (2005). DOI: 10.1021/ac0503658
[4] S. D. Somasundaram, A. Jakobsson, M. D. Rowe, J. A. S. Smith, N. R.
Butt, and K. Althoefer, Robust Detection of Stochastic Nuclear
Quadrupole Resonance Signals, IEEE Transaction on Signal Processing
56, 4221—4229 (2008). DOI: 10.1109/TSP.2008.923809
[5] E. Tate, K. Althoefer, J. Barras, M. D. Rowe, J. A. S. Smith, G. E.
S.Pearce and S. A. C. Wren, Quantitative 35Cl
Nuclear Quadrupole Resonance in Tablets of the Anti-Diabetic Drug
Diabinese. Anal. Chem. 81, 5574 — 5576 (2009). DOI:
10.1021/ac900656e
[6]* J.A.S Smith, T.J. Rayner, M.D. Rowe, J. Barras, N.F. Peirson, A.D.
Stevens and K. Althoefer, Magnetic field-cycling NMR and 14N,
17O quadrupole resonance in the explosive
pentaerythritol tetranitrate (PETN). Journal of Magnetic Resonance 204,
139-144 (2010). DOI: 10.1016/j.jmr.2010.02.019
* Publications that best indicate the quality of the underpinning
research
Details of the impact
The application of NQR for the improved detection and classification of
explosives, drugs and pharmaceuticals, has a worldwide impact with
applications in security, military and humanitarian sectors:
- detection of landmines in post war countries
- detection of improvised explosive devices (IEDs) in regions of
conflict
- scanning of luggage and detection of explosives at borders, airports
and other check points
- forensic analysis of explosives to determine the origin of explosives
used for mines and IEDs
- authentication of medicine
- detection and identification of illicit drugs, such as narcotics.
Much of the NQR technology development within KCL was performed within
programmes for military/security and drug authentication applications
where the requirement was for explosives, narcotics or pharmaceutical
detectors to be small enough and rugged enough for deployment on the
battlefield, at border check points or pharmacies, simple enough in
operation for use by untrained users, easily maintainable in a range of
environments, resistant to radio frequency interference and robust enough
to deal with a range of threats under a range of ambient conditions.
Research and consultancy projects funded by Her Majesty's Revenue and
Customs (HMRC), the Defence, Science and Technology Laboratory (DSTL), the
Ministry of Defence (MoD), the Home Office Scientific Development Branch
(HOSDB), the International Atomic Energy Agency (IAEA) and, the China
Institute of Atomic Energy (CIAE) demonstrate the direct applicability of
KCL's intelligent sensing and detection methods in a homeland security,
military and humanitarian context; the outcomes impact on the important
topics of security and the public's health in the UK and internationally.
The work has been published widely; patents protecting intelligent
explosive detection techniques and fake drug detection methods were filed
and granted.1
In the field of medicine authentification, the KCL NQR Group has worked
closely with the Italian NMR instrument manufacturer Stelar S.r.l. to
develop a prototype for a commercial product, opening up a potential new
market for the company. The relationship between KCL and Stelar began
within the framework of a Wellcome Trust Translational Award2
(2010—13) to KCL to create a system capable of distinguishing between
genuine and counterfeit pharmaceuticals. Through a tendering process
within this programme, Stelar was identified as the industrial partner to
take the technology forward, with the EU Framework 7 Project `Counterfeit
Pharmaceuticals Interception using Radiofrequency Methods in Realtime'
(CONPHIRMER, 2011—present) providing further support for this project.
Stelar have produced a prototype medicine authentication device based on
KCL underpinning research.3
In low-to-middle income countries, 10-30 per cent of medicines are fake,
placing patients at extreme risk. The system developed by Stelar uses the
NQR signal from medicines (or their imposters), even through packaging. It
provides a portable, cheap solution to medicine authentication with
virtually no radiation hazard in personnel inspection, improved
sensitivity, shortened inspection times and reduced false alarm rates.
In addition to a new medicine authentication product, as a result of the
interaction with the KCL NQR Group, Stelar has developed a capability in
NQR, with its existing marketed product lines allowing NQR spectroscopy.4
While the company had theoretical knowledge of NQR before collaborating
with King's, it had no practically applicable NQR knowledge/expertise. The
KCL NQR group provided expertise and know-how to Stelar on how to use the
Stelar systems for practical NQR applications including: pulse sequence
methods to optimise the signal to noise ratio; approaches to
radiofrequency interference reduction/cancellation; simplifying,
automating, deskilling the NQR process for specific application;
algorithms for signal processing, classification and decision making, to
distinguish between different materials.3
The NQR technology developed by the KCL NQR Group also has application in
the field of explosives detection. Technology development for such
applications has been pursued in a project "Laboratory RF spectrometer
construction and NQR sensor integration" funded by the CIAE (coordinated
by IAEA, TC Project CPR/1/006), for the creation of a functional
explosives detection system capable of scanning hand luggage. This
included training of CIAE staff by the KCL NQR Group. The KCL expertise
and acquired know-how from the underpinning research was incorporated by
the CIAE into a prototype airport security system.5
More broadly in the field of security, as noted by the President and
Founder of Bagtronics Ltd. (previously R&D Director EU Rapiscan
Systems, USA, formerly also of Quantum Magnetics Inc., USA, InVision
Technologies Inc., USA, and QR Sciences Ltd.): "The work of the KCL NQR
Group on the detection of NQR signals from explosives and narcotics ...
has had a major impact and influence on my own activities, for example on
instrumental methods and the choice of the optimum conditions for
detection such signals".6
Bagtronics is a UK based SME with extensive experience in developing
security equipment and in particular equipment based on NQR. Similarly,
the Chief Technology Officer of Quasar Federal Systems Inc., USA, notes,
"the importance of [Smith's] pioneering work in nuclear magnetic resonance
(NMR) and nuclear quadrupole resonance (NQR)" and comments that, "at my
previous company, Quantum Magnetics,... [Smith] kept us on the right path
by demonstrating that a particular application was feasible, no matter how
improbable it seemed at first." 7 One example of this was the
KCL NQR Group's work on the detection of explosives in vehicles, i.e.,
large vehicle bombs of the kind used in terrorist attacks. "For those of
us working in the field, [Barras et al. `Detection of ammonium nitrate
inside vehicles by nuclear quadrupole resonance' Applied Magnetic
Resonance 25,411-437 (2004), DOI:10.1007/BF03166538]
included an invaluable discussion of the NQR parameters of ammonium
nitrate detection.... Just the knowledge that such a vehicle scanning
system is possible was enabling and very important".7
Sources to corroborate the impact
- Information on the NQR patent portfolio currently held by KCL.
- Wellcome Trust website: Announcement of Award, 27-07-2010
http://www.wellcome.ac.uk/News/2010/News/WTX060296.htm
- Email from the DIrector of Stelar s.r.l., for confirmation of the
development of a medicine authentication product and use of KCL
know-how, and of the transfer of NQR expertise from KCL to Stelar.
- Product specification for Stelar PC-NMR, indicating NQR capability.
http://www.stelar.it/2010/download/free/datasheet/PC-NMR%20depliant.pdf
- Email from Chinese Institute of Atomic Energy (CIAE) confirming King's
input to development of NQR explosives detection systems and training of
staff at CIAE.
- Letter from President and Founder of Bagtronics Ltd. (previously
R&D Director EY, Rapiscan Systems) describing the impact of KCL
research on the development of NQR based systems and associated signal
processing for the detection of narcotics and explosives.
- Email from Chief Technology Officer of Quasar Federal Systems
(previously CEO at Quantum Magnetics Inc) confirming the impact of KCL
research for the detection of explosives in vehicles.