Dr. Reedy has extensive experience in applied vibrational (infrared and Raman) spectroscopy and heads the Infrared Chemical Imaging Facility at UTS. He also manages the Raman spectroscopy facility at UTS. His current research interests include the applications of infrared chemical imaging in forensic science (imaging of paint, fibres and questioned documents, the visualisation of fingerprints on difficult backgrounds, the development of new fingerprint reagents, chemical imaging in forensic pathology) and forensic applications of Raman spectroscopy. Other interests are in the areas of tin oxide gas sensors and the metal-catalysed oxidation of sulfoxyanions. He currently supervises five PhD students.
Member of the Royal Australian Chemical Institute (MRACI) and Chartered Chemist (CChem)
Can supervise: YES
- Vibrational spectroscopy
- FTIR (infrared) chemical imaging
- Multivariate analysis of hyperspectral data
- Forensic fingerprint detection and enhancement
- Metal oxide gas sensors
Physical Chemistry 1 (coordinator) - thermodynamics, spectroscopyPhysicalChemistry 2 (coordinator) - electrochemistry, properties of solutions, adsorption and catalysisAnalyticalChemistry 3 - Raman spectroscopyChemistry 2 - kinetics and reaction mechanismsChemistry Honours - spectroscopic instrumentation
Sackett, O, Petrou, K, Reedy, B, Hill, R, Doblin, M, Beardall, J, Ralph, P & Heraud, P 2016, 'Snapshot prediction of carbon productivity, carbon and protein content in a Southern Ocean diatom using FTIR spectroscopy.', The ISME journal, vol. 10, pp. 416-426.View/Download from: Publisher's site
Diatoms, an important group of phytoplankton, bloom annually in the Southern Ocean, covering thousands of square kilometers and dominating the region's phytoplankton communities. In their role as the major food source to marine grazers, diatoms supply carbon, nutrients and energy to the Southern Ocean food web. Prevailing environmental conditions influence diatom phenotypic traits (for example, photophysiology, macromolecular composition and morphology), which in turn affect the transfer of energy, carbon and nutrients to grazers and higher trophic levels, as well as oceanic biogeochemical cycles. The paucity of phenotypic data on Southern Ocean phytoplankton limits our understanding of the ecosystem and how it may respond to future environmental change. Here we used a novel approach to create a 'snapshot' of cell phenotype. Using mass spectrometry, we measured nitrogen (a proxy for protein), total carbon and carbon-13 enrichment (carbon productivity), then used this data to build spectroscopy-based predictive models. The models were used to provide phenotypic data for samples from a third sample set. Importantly, this approach enabled the first ever rate determination of carbon productivity from a single time point, circumventing the need for time-series measurements. This study showed that Chaetoceros simplex was less productive and had lower protein and carbon content during short-term periods of high salinity. Applying this new phenomics approach to natural phytoplankton samples could provide valuable insight into understanding phytoplankton productivity and function in the marine system.The ISME Journal advance online publication, 31 July 2015; doi:10.1038/ismej.2015.123.
Lao, W, Jin, X, Tan, Y, Xiao, L, Padula, M, Bishop, D, Reedy, B, Ong, M, Kamal, M & Qu, X 2016, 'Characterisation of Bone Beneficial Components from Australian Wallaby Bone', Medicines, vol. 3, pp. 1-13.View/Download from: Publisher's site
Background: Osteoporosis is a condition in which the bones become brittle, increasing the risk of fractures. Complementary medicines have traditionally used animal bones for managing bone disorders, such as osteoporosis. This study aimed to discover new natural products for these types of conditions by determining mineral and protein content of bone extracts derived from the Australian wallaby. Methods: Inductively coupled plasma-mass spectrometry and Fourier transform infrared spectroscopic analysis were used for mineral tests, proteome analysis was using LC/MS/MS and the effects of wallaby bone extracts (WBE)s on calcium deposition and alkaline phosphatase activity were evaluated in osteogenic cells derived from adipose tissue-derived stem cells (ADSCs). Results: Concentrations of calcium and phosphorus were 26.21% and 14.72% in WBE respectively. Additionally, minerals found were wide in variety and high in concentration, while heavy metal concentrations of aluminium, iron, zinc and other elements were at safe levels for human consumption. Proteome analysis showed that extracts contained high amounts of bone remodelling proteins, such as osteomodulin, osteopontin and osteoglycin. Furthermore, in vitro evaluation of WBEs showed increased deposition of calcium in osteoblasts with enhanced alkaline phosphatase activity in differentiated adipose-derived stem cells. Conclusion: Our results demonstrate that wallaby bone extracts possess proteins and minerals beneficial for bone metabolism. WBEs may therefore be used for developing natural products for conditions such as osteoporosis and further investigation to understand biomolecular mechanism by which WBEs prevent osteoporosis is warranted.
Stojanovska, N, De Grazia, A, Tahtouh, M, Shimmon, R & Reedy, B 2015, 'Refining Fingermark Development using Diacetylene Copolymers on Difficult Surfaces', JOURNAL OF FORENSIC SCIENCES, vol. 60, no. 3, pp. 619-626.View/Download from: Publisher's site
Girod, A, Xiao, L, Reedy, B, Roux, C & Weyermann, C 2015, 'Fingermark initial composition and aging using Fourier transform infrared microscopy (mu-FTIR)', FORENSIC SCIENCE INTERNATIONAL, vol. 254, pp. 185-196.View/Download from: Publisher's site
Sackett, O, Petrou, K, Reedy, B, De Grazia, A, Hill, R, Doblin, M, Beardall, J, Ralph, P & Heraud, P 2013, 'Phenotypic Plasticity of Southern Ocean Diatoms: Key to Success in the Sea Ice Habitat?', PLOS ONE, vol. 8, no. 11.View/Download from: Publisher's site
De Grazia, A, Mikhael, M, Stojanovska, N, Reedy, BJ, Shimmon, R & Tahtouh, M 2012, 'Diacetylene copolymers for fingermark development', Forensic Science International, vol. 216, no. 1-3, pp. 189-197.View/Download from: Publisher's site
In 1979, Miller and Patel showed that a solution containing two diacetylene monomers, 2,4-hexadiyne-1,6-bis(phenylurethane) (HDDPU) and 2,4-hexadiyne-1,6-bis(p-chlorophenylurethane) (HDDCPU) could be used to develop latent fingermarks on a non-porous surface. In the current work, the same mixture (HDDPU:HDDCPU = 10:1, in acetone solution) was used to develop fingermarks on a wide variety of surfaces, both non-porous and porous, including paper. An airbrush system was optimized for the application of the reagent solution. Once the solution evaporates on a surface, the monomers co-crystallize in different ways, depending upon a number of factors, including the surface residue. Active co-crystallization leads (with heat or radiation) to the formation of purple polymer, while inactive crystallization results in a non-polymerizable white deposit. Fingermark contrast was achieved as a result of active co-crystallization (giving purple polymer) in either the ridges or the furrows, depending upon the surface and other factors. A general observation (supported by spot tests with linseed oil, salt and amino acid solutions) was that on paper, oily materials are more likely to lead to the formation of the purple polymer, while the presence of water inhibits polymerization.
Tahtouh, M, Kalman, JR & Reedy, BJ 2011, 'Synthesis and characterization of four alkyl 2-cyanoacrylate monomers and their precursors for use in latent fingerprint detection', Journal of Polymer Science Part A: Polymer Chemistry, vol. 49, no. 1, pp. 257-277.View/Download from: Publisher's site
Four novel cyanoacrylates, 2-cyanoethyl 2-cyanoacrylate, 1-cyanoethyl 2-cyanoacrylate, trideuteromethyl 2-cyanoacrylate and pentadeuteroethyl 2-cyanoacrylate have been synthesized using a Die Is-Alder protection/deprotection route involving anthracene. The common route for the synthesis of alkyl 2-cyanoacrylates was found to be unsatisfactory for the production of small quantities of the targeted cyanoacrylates, which have potential as reagents for the mid-infrared spectral imaging of fingerprints on difficult surfaces.
Tahtouh, M, Scott, SA, Kalman, JR & Reedy, BJ 2011, 'Four Novel Alkyl 2-Cyanoacylate Monomers And Their Use In Latent Fingermark Detection By Mid-Infrared Spectral Imaging', Forensic Science International, vol. 207, no. 1-3, pp. 223-238.View/Download from: Publisher's site
Four novel alkyl 2-cyanoacrylate monomers (alkyl = 1-cyanoethyl, 2-cyanoethyl, trideuteromethyl and pentadeuteroethyl) have been tested for their ability to develop latent fingermarks that can then be visualized usingmid-infrared spectral (chemical) imaging. Each of the fourmonomers was chosen for its potential to produce a strong, isolated infrared spectral band in its corresponding polymer (to provide spectral contrast against most backgrounds), as well as for its potential ability to be fumed onto fingermarks in the manner of conventional ethyl 2-cyanoacrylate (superglue). With the exception of the 2-cyanoethyl 2-cyanoacrylate, which had to be fumed under reduced pressure, all of themonomers were found to be sufficiently volatile to be fumed in a conventional fuming cabinet. All four monomers polymerized selectively on fingermark ridges on a variety of non-porous and semi-porous surfaces, leading to excellent development of the fingermarks. Unfortunately, although high quality mid-infrared spectral images of the fingermarks could be formed for all of the polymers at various frequencies, the new CBBN or CD stretching vibrations did not give rise to strong enough absorption intensities for good contrast on difficult backgrounds such as polymer banknotes. However, in the 1-cyanoethyl 2- cyanoacrylate polymer, the presence of the additional nitrile group had the unintended but desirable effect of shifting the strong C55O absorption to higher frequencies, moving it away from interfering banknote absorptions. This enabled fingermark contrast to be achieved even against the intaglio printing on the banknotes.
Song, D, Sommerville, DT, Brown, A, Shimmon, R, Reedy, BJ & Tahtouh, M 2011, 'Thermal development of latent fingermarks on porous surfaces - Further observations and refinements', Forensic Science International, vol. 204, no. 1-3, pp. 97-110.View/Download from: Publisher's site
In a further study of the thermal development of fingermarks on paper and similar surfaces, it is demonstrated that direct contact heating of the substrate using coated or ceramic surfaces at temperatures in excess of 230 8C produces results superior to those obtained using hot air. Fingermarks can also be developed in this way on other cellulose-based substrates such as wood and cotton fabric, though ridge detail is difficult to obtain in the latter case. Fluorescence spectroscopy indicates that the phenomena observed during the thermal development of fingermarks can be reproduced simply by heating untreated white copy paper or filter paper, or these papers treated with solutions of sodium chloride or alanine. There is no evidence to suggest that the observed fluorescence of fingermarks heated on paper is due to a reaction of fingermark constituents on or with the paper. Instead, we maintain that the ridge contrast observed first as fluorescence, and later as brown charring, is simply an acceleration of the thermal degradation of the paper. Thermal degradation of cellulose, amajor constituent of paper and wood, is known to give rise to a fluorescent product if sufficient oxygen is available . However, the absence of atmospheric oxygen has only a slight effect on the thermal development of fingermarks, indicating that there is sufficient oxygen already present in paper to allow the formation of the fluorescent and charred products. In a depletion study comparing thermal development of fingermarks on paper with development using ninhydrin, the thermal technique was found to be as sensitive as ninhydrin for six out of seven donors.
Ma, R, Bullock, EA, Maynard, PJ, Reedy, BJ, Shimmon, R, Lennard, CJ, Roux, CP & McDonagh, AM 2011, 'Fingermark Detection On Non-Porous And Semi-Porous Surfaces Using Nayf(4):Er,Yb Up-Converter Particles', Forensic Science International, vol. 207, no. 1-Mar, pp. 145-149.View/Download from: Publisher's site
This article describes the first use of an anti-Stokes material, or up-converter, for the development of latent fingermarks on a range of non-porous surfaces. Anti-Stokes materials can absorb long-wavelength light and emit light at a shorter wavelength. This property is unusual in both natural and artificial materials and so fingermark detection techniques based on anti-Stokes luminescence are potentially sensitive and selective. Latent fingermarks on luminescent and non-luminescent substrates, including Australian polymer banknotes (a well-known `difficult surface), were developed with sodium yttrium tetrafluoride doped with erbium and ytterbium (NaYF4:Er,Yb) by dry powder, wet powder, and cyanoacrylate staining techniques. This study illustrates the potential of up-converter phosphors for the detection of latent fingermarks.
Brown, A, Sommerville, DT, Reedy, BJ, Shimmon, R & Tahtouh, M 2009, 'Revisiting the thermal development of latent fingerprints on porous surfaces: new aspects and refinements', Journal of Forensic Sciences, vol. 54, no. 1, pp. 114-121.View/Download from: Publisher's site
Ng, PR, Tahtouh, M, Walker, S & Reedy, BJ 2009, 'Detection of illicit substances in fingerprints by infrared spectral imaging', Analytical and Bioanalytical Chemistry, vol. 394, no. 8, pp. 2039-2048.View/Download from: Publisher's site
FTIR and Raman spectral imaging can be used to simultaneously image a latent fingerprint and detect exogenous substances deposited within it. These substances might include drugs of abuse or traces of explosives or gunshot residue. In this work, spectral searching algorithms were tested for their efficacy in finding targeted substances deposited within fingerprints. "Reverse" library searching, where a large number of possibly poor-quality spectra from a spectral image are searched against a small number of high-quality reference spectra, poses problems for common search algorithms as they are usually implemented. Out of a range of algorithms which included conventional Euclidean distance searching, the spectral angle mapper (SAM) and correlation algorithms gave the best results when used with second-derivative image and reference spectra. All methods tested gave poorer performances with first derivative and undifferentiated spectra. In a search against a caffeine reference, the SAM and correlation methods were able to correctly rank a set of 40 confirmed but poor-quality caffeine spectra at the top of a dataset which also contained 4,096 spectra from an image of an uncontaminated latent fingerprint. These methods also successfully and individually detected aspirin, diazepam and caffeine that had been deposited together in another fingerprint, and they did not indicate any of these substances as a match in a search for another substance which was known not to be present. The SAM was used to successfully locate explosive components in fingerprints deposited on silicon windows. The potential of other spectral searching algorithms used in the field of remote sensing is considered, and the applicability of the methods tested in this work to other modes of spectral imaging is discussed.
Methods were explored for the classification of heterogeneous powder mixtures using Fourier transform infrared (FT-IR) hyperspectral image data. The images collected were non-congruent, meaning that samples of the same mixture do not have the same spatial arrangements of their components in their images. In order to classify such images on a one-image-per-object basis, dimension reduction was carried out so as to produce a score or feature vector for each image that preserved information about the heterogeneity of the sample. These feature vectors were then classified using discriminant analysis (DA) or soft independent modeling of class analogy (SIMCA). The most successful approach was the use of a median-interquartile range "super-spectrum" as the feature vector representing each image; using principal component analysis (PCA) DA classification, 87.5% of training samples were correctly classified using leave-one-out cross-validation, and 100% of a test set were correctly classified. This compares with 52.5% and 72%, respectively, when single-point spectra were used to classify the samples.
Hare, DJ, Haarburger, D, Austin, CE, Fryer, FI, Grimm, R, Reedy, BJ, Scolyer, RA, Thompson, JF & Doble, PA 2009, 'Elemental bio-imaging of melanoma in lymph node biopsies', The Analyst, vol. 134, no. 3, pp. 450-453.View/Download from: Publisher's site
The spatial distribution of trace elements in human lymph nodes partially infiltrated by melanoma cells was determined by elemental bio-imaging. Imaging of 31P within the nodal capsule and normal lymph node tissue showed a clear demarcation of the tumour boundary, with a significant decrease in relative 31P concentration within the tumour. The location of the tumour boundary was confirmed by haematoxylin and eosin staining of serial sections and observation by light microscopy. Further enhancement of the tumour boundary was achieved by imaging the 31P/34S ratio. 31P/66Zn ratio images showed a decreasing ratio beyond the tumour boundary that extended into peritumour normal lymph node tissue.
Hare, DJ, Reedy, BJ, Grimm, R, Wilkins, S, Volitakis, I, George, JL, Cherny, R, Bush, A, Finkelstein, D & Doble, PA 2009, 'Quantitative elemental bio-imaging of Mn, Fe, Cu and Zn in 6-hydroxydopamine induced Parkinsonism mouse models', metallomics, vol. 1, no. 1, pp. 53-58.View/Download from: Publisher's site
This study demonstrates the application of quantitative elemental bio-imaging for the determination of the distribution Cu, Mn, Fe and Zn in Parkinsonism mouse model brains. Elevated concentrations of these metals within the substantia nigra (SN) are suspected to play a role on the development of Parkinsons disease. Elemental bio-imaging employs laser ablation inductively coupled mass spectrometry (LA-ICP-MS) to construct images of trace element distribution. Quantitative data was produced by ablating the standard tissue sections and recording the mean signal intensity calibrated against multi level matrix matched tissue standards. The concentrations of Fe within the substantia nigra of the lesioned animals increased significantly when compared against control animals. Furthermore, the data was compared against solution nebulisation ICP-MS in which the whole substantia nigra was excised. The trends were the same for both methods; however the elemental bio-imaging method returned significantly higher concentrations. This was caused by dilution from inclusion of surrounding tissue of the SN during the excision procedure.
Doble, P, Hare, D, Austin, C, Dawson, M, Fryer, F, Svenningsson, P, Andren, P, Grimm, R, Zhang, X & Reedy, B 2008, 'Metal-Imaging Mass spectrometry (MIMS): A New Imaging Mass Spectrometry Technology to Determine the Distribution of Metal Ions in Tissue Samples', Journal of Proteomics & Bioinformatics, vol. S2, no. 01, pp. 053-054.View/Download from: Publisher's site
Bojko, KL, Roux, CP & Reedy, BJ 2008, 'An examination of the sequence of intersecting lines using attenuated total reflectance fourier transform infrared spectral imaging', Journal of Forensic Science, vol. 53, no. 6, pp. 1458-1467.View/Download from: Publisher's site
Tahtouh, M, Despland, P, Shimmon, R, Kalman, JR & Reedy, BJ 2007, 'The Application Of Infrared Chemical Imaging To The Detection And Enhancement Of Latent Fingerprints: Method Optimization And Further Findings', Journal Of Forensic Sciences, vol. 52, no. 5, pp. 1089-1096.View/Download from: Publisher's site
Fourier transform infrared (FTIR) chemical imaging allows the collection of fingerprint images from backgrounds that have traditionally posed problems for conventional fingerprint detection methods. In this work, the suitability of this technique for the
Kher, A, Mulholland, M, Green, EV & Reedy, BJ 2006, 'Forensic classification of ballpoint pen inks using high performance liquid chromatography and infrared spectroscopy with principal components', Vibrational Spectroscopy, vol. 40, no. 2, pp. 270-277.View/Download from: Publisher's site
Several varieties of blue ballpoint pen inks were analysed by higher performance liquid chromatography (HPLC) and infrared spectroscopy (IR). The chromatographic data extracted at four wavelengths (254, 279, 370 and 400 nm)was analysed individually and at a combination of these wavelengths by the soft independent modeling of class analogies (SIMCA) technique using principal components analysis (PCA) to estimate the separation between pen samples. Linear discriminant analysis (LDA) measured the probability with which an observation could be assigned to a pen class. The best resolution was obtained by HPLC using data from all four wavelengths together, differentiating 96.4% pen pairs successfully using PCA and 97.9% pen samples by LDA> PCA separated 60.7% of the pen pairs and LDA provided a correct classification of 62.5% of the pends compared to IR. The need to develop a suitable IR method for analysing nlue ball-point pen inks has been emphasised and it is hoped that the development of such a method would indeed providea valuable tool for the non-destrictive analysis of blue ball-point pen ink samples for forensic purposes.
Bojko, KL, O'Leary, R, Roux, CP & Reedy, BJ 2006, 'Forensic analysis of bicomponent fibers using infrared chemical imaging', Journal Of Forensic Sciences, vol. 51, no. 3, pp. 586-596.View/Download from: Publisher's site
The application of infrared chemical imaging to the analysis of bicomponent fibers was evaluated. Eleven nominally bicomponent fibers were examined either side-on or in cross-section. In six of the 11 samples, infrared chemical imaging was able to spatia
Bojko, KL, O'Leary, R, Lennard, CJ, Roux, CP & Reedy, BJ 2005, 'Forensic applications of infrared chemical imaging: Multi-layered paint chips', Journal Of Forensic Sciences, vol. 50, no. 4, pp. 832-841.
This paper examines the potential of infrared chemical (hyperspectral) imaging as a technique for the forensic analysis or automotive paint chips in particular, and multicomponent (e.g., layered) samples in general. Improved sample preparation procedures
Payne, GL, Reedy, BJ, Lennard, CJ, Comber, B, Exline, DL & Roux, CP 2005, 'A further study to investigate the detection and enhancement of latent fingerprints using visible absorption and luminescence chemical imaging', Forensic Science International, vol. 150, no. 1, pp. 33-51.View/Download from: Publisher's site
This study investigated the application of chemical imaging to the detection of latent fingerprints using the Condor macroscopic chemical imaging system (ChemImage Corp., Pittsburgh, USA). Methods were developed and optimised for the visualisation of unt
Payne, GL, Wallace, Kunkel, CS, Reedy, BJ, Lennard, CJ, Schuler, RL, Exline, DL & Roux, CP 2005, 'Visible and near-infrared chemical imaging methods for the analysis of selected forensic samples', Talanta, vol. 67, no. 2, pp. 334-344.View/Download from: Publisher's site
This study investigated various chemical imaging methods for the forensic analysis of paints, tapes and adhesives, inks and firearm propellants (absorption and photoluminescence in the UV-vis-NIR regions). Results obtained using chemical imaging technolo
Tahtouh, M, Kalman, JR, Roux, CP, Lennard, CJ & Reedy, BJ 2005, 'The detection and enhancement of latent fingermarks using infrared chemical imaging', Journal Of Forensic Sciences, vol. 50, no. 1, pp. 64-72.
The use of a new technique, Fourier transform infrared (FTIR) chemical imaging, has been demonstrated for the enhancement of latent fingermarks on a number of surfaces. Images of untreated fingermarks on glass backgrounds with excellent ridge detail were
Thomas, J, Buzzini, P, Massonnet, G, Reedy, BJ & Roux, CP 2005, 'Raman spectroscopy and the forensic analysis of black/grey and blue cotton fibres - Part 1. Investigation of the effects of varying laser wavelength', Forensic Science International, vol. 152, no. 2, pp. 189-197.View/Download from: Publisher's site
Raman spectroscopy was investigated to determine the optimal conditions, mainly laser wavelength/s, for the analysis of the commonly encountered black/grey and blue cotton fibres dyed with reactive dyes. In this first part, a single blue cotton fibre, it
Connan, H, Reedy, BJ, Marshall, CP & Wilson, MA 2004, 'New nanocarbons: rod milling and annealing of graphite in the presence of Yttrium', Energy & Fuels, vol. 18, no. 6, pp. 1607-1614.View/Download from: Publisher's site
This work investigate the mechanisns of ordering and disordering graphite in the presence of 1% and 10% yttrium through mechanical activation and subsequent thermal annealing at 1350 degrees C for 6h. Some work was done using other metals. Structural information was obtained by characterising the milled and annealed samples by laser Raman spectroscopy, transmission electron microscopy (TEM), and X-ray diffraction (XRD) spectroscopy. In the initial stages (less than 72 h milling), yttrium assists in reducing the effects of rod milling on crystallite size but not later equilibration between broken and reformed cystallites. Examination by TEM of all annealed samples with iron, cobalt, yttrium or nickel revealed the formation of graphite, iron, cobalt ot nickel nanoparticles encapsulated wit carbon strips but not for yttrium. No evidence of carbon nanotubes was found under the milling conditions for periods of 0 - 240 h and annealing temperatures up to 1350 degrees C for 6 h.
Connan, HG, Reedy, BJ, Marshall, CP & Wilson, MA 2004, 'New nanocarbons: Rod milling and annealing of graphite in the presence of yttrium', ENERGY & FUELS, vol. 18, no. 6, pp. 1607-1614.View/Download from: Publisher's site
Kher, A, Mulholland, M, Reedy, BJ & Maynard, PJ 2001, 'Classification of Document Papers by Infrared Spectroscopy and Multivariate Statistical Techniques', Applied Spectrocopy, vol. 55, no. 9, pp. 1192-1198.View/Download from: Publisher's site
Infrared (IR) spectra of different varieties of document papers were collected with the use of attenuated total reflectance (ATR, 4000-650 cm-1, eight paper varieties) and diffuse reflectance (DRIFTS, 9000-2500 cm-1, six paper varieties) techniques. The spectral data were classified by the application of soft independent modeling of class analogies (SIMCA), using principal components analysis (PCA) to estimate the distance of separation between the different classes of paper samples and discriminant analysis (DA) to obtain a probabilistic classification. The use of DA on spectral data needed a preliminary data reduction step, either by PCA-decomposition of spectra or the selection of discrete spectral features having maximum discriminating ability. The aim of this research was to evaluate these data-reduction techniques and compare the discriminating power of these two spectral techniques (DRIFTS and ATR) by the application of PCA and DA. The use of PCA scores as DA variables provided the best resolution (100% correct classification) for the DRIFTS spectra, while PCA on the ATR spectra resulted in the best discrimination, separating 67.86% paper pairs completely with the use of cross-validation. The results of this study reemphasize that infrared spectroscopy coupled with multivariate statistical methods of analysis could provide a powerful discriminating tool for the forensic questioned document examiner.
Lee, AP & Reedy, BJ 1999, 'Application of radiometric temperature determination methods to semiconductor gas sensors', Sensors and Actuators B: Chemical, vol. 69, no. 1-2, pp. 37-45.View/Download from: Publisher's site
A radiometric method for the determination of the operating surface temperature of very small objects to within ±5 K has been applied to commercial semiconductor gas sensors operated in a static atmosphere. The method involves the collection of the infrared (IR) emission spectrum of the sensor at regular intervals over the operating heater voltage range, followed by the fitting of ambient-corrected Planck functions to determine the temperature at each voltage. At least one independent calibrating temperature measurement (to eliminate the effects of sensor emissivity and spectrometer response) is obtained using the known melting point of an inorganic salt. The operating voltagetemperature relationships for two popular Figaro tin oxide sensors were found to be pseudo-linear and are reported as T=103 V+214±3 K for the Figaro TGS813 sensor with its base removed, T=101 V+224±5 K for the TGS813 with its base attached, and T=106 V+238±5 K for the Figaro TGS2611 sensor. (The temperature of the sensors does not rise appreciably above ambient when they are operated below 0.5 V.) These results indicate that sensor temperatures are significantly higher than most previously reported estimates, particularly those made using infrared thermometers (IRTs). A heat loss model for the sensors is discussed, and the calibration of the heater resistancetemperature relationship is achieved for the TGS2611.
Boswell, J, Reedy, BJ, Kulathila, R, Merkler, D & Blackburn, NJ 1996, 'Structural Investigations On The Coordination Environment Of The Active-site Copper Centers Of Recombinant Bifunctional Peptidylglycine Alpha-amidating Enzyme', Biochemistry, vol. 35, no. 38, pp. 12241-12250.View/Download from: Publisher's site
The structure and coordination chemistry of the copper centers in the bifunctional peptidylglycine alpha-amidating enzyme (alpha-AE) have been investigated by EPR, EXAFS, and FTIR spectroscopy of a carbonyl derivative, The enzyme contains 2 coppers per 7
Reedy, BJ, Murthy, N, Karlin, K & Blackburn, NJ 1995, 'Isocyanides As Ligand-directed Indicators Of Cu(i) Coordination In Copper Proteins - Probing The Inequivalence Of The Cu(i) Centers In Reduced Dopamine-beta-monooxygenase', Journal Of The American Chemical Society, vol. 117, no. 39, pp. 9826-9831.View/Download from: Publisher's site
The use of isocyanides as ligand-directed probes of Cu(I) coordination in proteins has been investigated. Reaction of 2,6-dimethylphenyl isocyanide (DIMPI) with reduced dopamine-beta-monooxygenase (D beta M) indicates the initial formation of monoisocyan
Reedy, BJ & Blackburn, NJ 1994, 'Preparation And Characterization Of Half-apo Dopamine-beta-hydroxylase By Selective Removal Of Cu-a - Identification Of A Sulfur Ligand At The Dioxygen Binding-site By Exafs And Ftir Spectroscopy', Journal Of The American Chemical Society, vol. 116, no. 5, pp. 1924-1931.View/Download from: Publisher's site
Progress has been made in determining the individual coordination of each of the copper sites (CUA and CUB) which comprise the active center in dopamine-beta-hydroxylase. Previous studies (Blackburn et al. J. Biol. Chem. 1991, 266, 23 120-27) have determ
Infrared spectroscopy has been used with oxygen-18 isotopic tracer experiments to provide insight into the mechanism of formation of sulfate by the air oxidation of sulfite, thiosulfate, or tetrathionate ions. The relative amounts of each of the differen
Reedy, BJ, Beattie, J & Lowson, R 1991, 'A Vibrational Spectroscopic O-18 Tracer Study Of Pyrite Oxidation', Geochimica Et Cosmochimica Acta, vol. 55, no. 6, pp. 1609-1614.View/Download from: Publisher's site
Pyrite was oxidised under O-18(2) gas in H-2 O-16 solutions, with and without added ferric ion, and the sulfate produced was analysed by vibrational spectroscopy to determine the relative amounts of sulfate isotopomers ((SOnO4-n2-)-O-16-O-18) formed. At