in the news

FT-IR fingerprintsbacterial contamination ofmeat

Fourier transform infrared (FT-IR)spectroscopy can be used for rapidfingerprinting of the biochemicalchanges that occur on the surface ofchicken-breast meat as a result ofthe growth of bacterial contamina-tion, according to David Ellis andcolleagues at the Institute of Biolo-gical Sciences, University of Wales,Aberystwyth (UWA) [1].The FT-IR technique will enable

food producers for the first time todetect, rapidly and on-line, bacterialcontamination of their meat pro-duct. At present, the food industrydoes not have a rapid techniquewithin the Hazard Analysis CriticalControl Point (HACCP) system forthe routine microbiological safety andquality of meat and poultry products.So far, more than 40 methods

have been proposed to measure and

to detect bacterial spoilage in meat,report Ellis and Roy Goodacre [2].‘‘The major drawback with these isthat they are time consuming, labourintensive and give information aboutcontamination retrospectively, i.e.some considerable time after it hashappened, and often when it is toolate to take corrective action,’’ saidGoodacre.The biochemical changes, which

the FT-IR technique fingerprints,can make the meat unacceptable toconsumers because of discoloration,off-odours, the formation of slimeor changes in taste.‘‘Whilst the activity of enzymes

present in muscle tissue post mortemcan contribute to a number ofchanges during storage, it is gen-erally acceptable that detectableorganoleptic spoilage is a result ofdecomposition and formation ofvarious metabolites caused by thegrowth of microorganisms,’’ saidGoodacre. ‘‘We have used spectro-scopic analysis to exploit this infor-mation so that, rather thanmeasuring exclusively the presenceof bacteria per se on the meat surface,infrared can be used to measure thebiochemical changes within the meat

substrate, enhancing and acceleratingthe detection of microbial spoilage.We have developed horizontal atte-nuated total reflectance (HATR) FT-IR spectroscopy with the mostappropriate machine-learning algo-rithms for estimating the bacterialtotal viable count directly off thesurface of muscle foods. The effec-tiveness of this technology has beenestablished through a detailed inves-tigation of the natural spoilage pro-cess on chicken breast muscle. Inaddition, this technique is also veryrapid (taking a few seconds) com-pared to hours to days by conven-tional means.’’Since the ideal method for the on-

line microbiological analysis of meatwould be rapid, non-invasive,reagentless and relatively inexpen-sive, Goodacre and his colleaguesfeel that these requirements can allmet by the application of the HATRFT-IR approach. Having establishedthe methodology, their next goal isto test how their approach may aidboth food-safety regulatory bodiesand the HACCP system.

Reference[1] D.I. Ellis, D. Broadhurst, D.B. Kell,

J.J. Rowland, R. Goodacre, Appl.Environ. Microbiol. 68 (2002) 2822.

[2] D.I. Ellis, R. Goodacre, TrendsFood Sci. Technol. (2002) (in press)(available on line, DOI: 10.1016/S0924–2244(02)00019–5).

Contact:Roy Goodacre,Institute of Biological SciencesUniversity of WalesAberystwythTel./Fax: +44 (0)1970 621947.E-mail: rrg@aber.ac.uk

0165-9936/02/$ - see front matter # 2002 Published by Elsevier Science B.V. All rights reserved.

P I I : S0165 - 9936 (02 )00701 -X

Typical FT-IR absorbance spectra frompre-spoilage and post-spoilage chicken,with a cartoon depicting the analysis of a(meat) sample by FT-IR spectroscopyusing horizontal attenuated total reflec-tance (HATR).

Estimates from FT-IR with appropriatemachine learning versus the true log10(total viable count).

trends in analytical chemistry, vol. 21, no. 8, 2002 III

Biosensor may benefitoverdose patients

Patients who overdose on analgesics,such as paracetemol (N-acetyl 4-aminophenol), may benefit from thelatest research into quartz-crystalbiosensors by Sub Reddy and col-leagues at the University of Surrey,which is being funded by the UK’sEngineering and Physical SciencesResearch Council.The method uses analyte-specific

enzyme reactions to produce sur-face-adherent precipitates that canbe detected by measuring a decreasein the 10 MHz fundamental fre-quency of the resonating crystal, or achange in its impedance. A portablesensor system, based in a hospitalaccident and emergency unit, couldgive a response in less than 10 min-utes, which compares favourablywith the 2-3 hours taken for labora-tory analysis of a patient’s bloodsample.Nikolaos Karousos and Reddy

recently reported on using themethod for the determination of4-aminophenol (4-AP) in solutionusing the quartz crystal microbalance(QCM) sensor. 4-AP reacts withphenols to form hydrophobic indo-phenol dye species that precipitateout and adsorb to the surface of thecrystal. They were able to relate theresultant shift in the crystal resonantfrequency to the initial 4-AP con-centration in the range 2–5 mM [1].‘‘Ideally, the overdose sensor may

be located in the ambulance so thata result is available when the patientarrives at hospital,’’ said Reddy, whois currently looking for industrialcollaborators with which to developthe system.‘‘The response amplitude of the

quartz crystal in solution depends onthe elastic storage and viscous loss

moduli (G’ and G’’) of the depositedspecies,’’ says the explanation of theprinciple of operation on his web-site. ‘‘Essentially, the better the elec-tromechanical coupling between thedeposited mass and the crystal, thebetter the shear waves are propa-gated through that mass. Onlyrecently has it been widely acceptedthat the viscoelasticity of the depos-ited mass also plays a major role incrystal response. The change inshear wave attenuation uponswitching from a viscously entrainedliquid (such as water) to an analyte-selective viscoelastic material (e.g. apolymer) at the crystal interfaceoffers a route to analyte-dependentsensing. It is clear therefore that in aviscous solution environment, thegreatest crystal sensitivity can beobtained by effecting a change in theviscoelasticity of pre-formed layers.’’Reddy has successfully used the

system to detect glucose in buffersolution [2], although the enzyme,glucose oxidase, was in solution andnot immobilised on the crystalinterface so the sole function of thequartz crystal was to detect the pre-cipitating signal species. The enzymeoxidized the glucose to form hydro-gen peroxide. In turn, this was actedupon by another enzyme and reac-ted with other ingredients in themixture to form a water-repellingmolecule, which came out of solu-tion and could be made to attach tothe quartz crystal. This biosensorhad a linear response range of 30-200 mmol/L glucose.

As well as investigating how torefine the system, by using mem-branes above the quartz-crystal sur-face to filter out potentiallycontaminating species, Reddy andhis group are extending it to otherapplications such as the detection ofcreatinine (an indicator of kidneydysfunction) and cholesterolmeasurement.‘‘We are building up a portfolio of

detection strategies for compoundsof interest and we are now reachingthe stage where we are looking forindustrial collaborators,’’ said Reddy.‘‘We are also applying this viscoelas-tic sensor to lab-on-a-chip-typetechnologies, as well as integrating itwith synthetic polymer films capableof molecular recognition.’’

Reference

[1] N.G. Karousos, S.M. Reddy, Analyst127 (2002) 368.

[2] S.M. Reddy, J.P. Jones, T.J. Lewis,P.S. Vadgama, Anal. Chim. Acta. 363(1998) 203.

Contact:Sub ReddyUniversity of SurreyTel.: +44 (0)1483 876396E-mail: s.reddy@surrey.ac.ukWebsite: www.ee.surrey.ac.uk/Personal/S.Reddy/researchs.html

Plastics indicator tracksprion destruction

Scientists at the Fraunhofer Institutefor Process Engineering and Packa-ging (IVV) in Freising, Germany,have developed a plastics indicatorfor tracking the destruction of therogue prions that are considered tocause bovine spongiform encepha-lopathy (BSE) in cattle and variantCreutzfeldt-Jakob Disease (vCJD) in

IV trends in analytical chemistry, vol. 21, no. 8, 2002

humans. They claim that it is thefirst rapid, low-cost method of mea-suring the efficacy of treatmentsused to destroy infected waste.This indicator is important

because there may still be risks ofBSE contamination from the cindersand ashes left over when infectedanimal carcasses are incinerated orvCJD contamination from the wasteeffluent left over after hospitalinstruments have been sterilised.The reason for their caution is that,despite intensive research, there isstill relatively little known aboutprions. And there is still no reliabletest method capable of providingsure evidence of whether and towhat extent prions are destroyed bytreatments, such as incineration, pyr-olysis or thermopressure hydrolysis,according to Peter Eisner of FIVV.Eisner explained that the idea for

the FIVV test was based on twoconsiderations. ‘‘Firstly, there wasno available means of confirmingthe presence of prions in highlymixed complex waste. And, sec-ondly, existing tests required a veryhigh concentration of pathogens tobe viable,’’ he said.The FIVV researchers’ indicator

can be added to waste material beforeit undergoes treatment. Analysis of theresidue then reveals to what extent theprions have been destroyed.‘‘The general view of the scientific

community is that the long amino-

acid chains of the prion proteinshave to be broken down into theshortest possible fragments in orderto deactivate them reliably,’’ saidEisner. ‘‘Because it is not possible totest the disintegration of the patho-gen directly, we have developed thisindirect process. The indicator is apolyamide plastic (Polycaprolactam,PA6 ) with amide bonds that behavein a chemically similar way to thoseof the rogue prions. In just a fewhours, we can obtain reliable data onthe extent to which the chains ofindicator molecules have been bro-ken down in a treatment plant.’’‘‘The illustration shows the change

of the average molecular weight ofan animal protein (bovine serumalbumin, BSA) in comparison withthe change of the molecular weightof our indicator polymer (PA6) dur-ing an acid hydrolysis,’’ Eisner toldTrAC. ‘‘If the molecular weight dis-tribution is regarded as a measuringunit for the splitting of the peptideand/or polymer chains, a very goodanalogy becomes clear in the splittingkinetics of BSA and PA6.’’The FIVV scientists have already

demonstrated that the indicatormaterial can be used under differentprocessing conditions. At present,they are looking into the way inwhich the indicator breaks down atdifferent temperatures. Here too, theresults have been very promising.Later this year, the first thermo-pressure hydrolysis process inBavaria is to go into service as ananimal-carcass-disposal plant. Theprion indicator could then beemployed in practice for the firsttime, according to Eisner.

Contact:Peter EisnerFraunhofer-IVVFreising, GermanyTel.: +49 81 61 4 91-4 22E-mail: eisner@ivv.fraunhofer.de

Combined MS techniquestackle complex samples

The combination of triple-quadru-pole and ion-trap mass spectrometrymade its debut at the Annual Amer-ican Society of Mass SpectrometryConference, thanks to Applied Bio-systems (AB) and MDS Sciex. Theylaunched the Q Trap LC/MS/MS toidentify proteins and peptides inproteomics research and small-molecule drug metabolites that areimportant in the development oftherapeutics.‘‘The unique combination of tri-

ple-quadrupole and ion-trap cap-abilities has the ability to identifymore metabolites and more proteinsin complex samples than currenttechnologies,’’ claimed AB PresidentMichael Hunkapiller.The Q Trap has won support

from participants in AB’s earlyaccess partnership program, such asMillennium Pharmaceuticals and theUniversity of Geneva.‘‘High-throughput, automated

LC/MS/MS is an essential technol-ogy for the proteomics initiatives atMillennium Pharmaceuticals,’’ saidMillennium Pharmaceuticals seniordirector of discovery technologiesSteven Carr. ‘‘The availability ofadditional scan functions on the QTrap system makes it a more versa-tile instrument than current 3-D iontraps for peptide and protein analysis.’’‘‘The new combined features of

the Q Trap system bring a com-pletely new approach to the way inwhich we can both characterize andquantify metabolites in discovery andearly drug-development researchefforts,’’ said Professor GerardHopfgartner of the Laboratory ofPharmaceutical Analytical Chemistryat the University of Geneva. ‘‘The

Change of the average molecularweight of an animal protein – bovineserum albumin (BSA) – in comparisonwith the change of the molecularweight of the indicator polymer – Poly-caprolactam (PA6) – during an acidhydrolysis (6% HCl, 95 �C).

trends in analytical chemistry, vol. 21, no. 8, 2002 V

system is more robust, provideshigher quality data and minimizessample consumption, opening newdoors for automated search andcharacterization of metabolites inbiological matrices.’’

Contact:Lori MurrayApplied BiosystemsTel.: +1 (650) 638-6130E-mail: murrayla@appliedbiosystems.com

Dutch innovator targetsproteomics chip

Richard Schasfoort, who, for hisextraordinary ideas, won the 2001Impulse innovation award fromNWO, The Netherlands Organiza-tion for Scientific Research, lastmonth launched his Biochips Groupof six scientists and technicians atthe University of Twente to developproteomics on a chip.With the Impulse innovation award,

worth $0.67m (E0.7m), Schasfoortwants to develop a field-directed elec-trophoresis separation in combinationwith surface-plasmon resonance (SPR)imaging network technology in a lab-on-a-chip (SPRINTLOC). He aims todevelop the system to achieve totalseparation of the human proteomeinto individual proteins.Using this technique, the indivi-

dual proteins land on tiny gold rec-tangular surfaces that are speciallyprepared to capture them – oneprotein on every gold rectangle.When the proteins land, they changethe refractive index of the gold sur-faces. A laser then scans all the goldrectangles so that a camera can cap-ture the protein pattern (see Fig.).Schasfoort had success last year in

developing the basic components ofthis system, as part of a European

Union-funded prostate-cancer mon-itoring project (PAMELA), which isdue to be completed this year.PAMELA is directed by Belgium-based IMEC (Interuniversity Micro-Electronics Center), which is Eur-ope’s largest independent researchcentre in microelectronics, nano-technology, enabling design methodsand technologies for ICT systems.The presence of prostate specificantigen (PSA) in blood is an indica-tion of prostate cancer. TheSPRINTLOC instrument enablesthe fast detection and analysis ofPSA down to 0.1 ng/ml. It inte-grates a micro-fluidic system forhandling low blood volumes and asystem for detecting several para-meters simultaneously.Schasfoort foresees working

closely with existing University ofTwente research institutes –MESA+and BMTI – the Hospital MedischeSpectrum Twente in Enschede, SPRinstrument manufacturer IBIS Tech-nologies, and other national andinternational institutes and uni-versities. His Biochips Group is fun-ded by PAMELA and the NWOImpulse innovation award.

Contact:Richard SchasfoortBiochips GroupUniversity of TwenteTel.: +53 489 5621E-mail: r.b.m.schasfoort@tn.utwente.nl

Lasers probe flameconstituents

Photothermal deflection spectro-scopy (PTDS) could be used tomeasure simultaneously the con-centrations of molecules involved incombustion, their temperature andtheir flow velocity, Professor Rajen-dra Gupta of the University ofArkansas told the recent Interna-tional Conference on Photoacousticand Photothermal Phenomena at theUniversity of Toronto in Canada.When methane, the simplest of

carbon fuels, burns, it producessmall quantities of radicals that playan important role in combustionchemistry. These reactive speciesrange in concentration from partsper thousand (ppt) to parts per mil-lion (ppm). Current measurementtechniques have limitations becausethey produce relative measurementsof molecular concentrations, notabsolute concentrations, and theycan measure only one parameter at atime. Gupta’s technique allowsresearchers to do multi-parametermeasurements, including flow velo-city, temperature and absolute con-centrations of different molecularspecies.The basic ideas involved in using

PTDS for combustion diagnosticsare as follows, Gupta explains on hiswebsite: ‘‘A dye-laser beam (pumpbeam) passes through the flame. Thedye laser is tuned to one of theabsorption lines of the moleculesthat are to be detected, and themolecules absorb the optical energyfrom the laser beam. Due to fastquenching rates in a flame, most ofthis energy quickly appears in therotational-translational modes of theflame molecules. Thus the dye-laser-irradiated region gets slightly heated,leading to changes in the refractive

The biochip.

VI trends in analytical chemistry, vol. 21, no. 8, 2002

index of the medium in that region.Now if a probe-laser beam overlapsthe pump beam, the probe beam isdeflected due to the variations in therefractive index of the medium cre-ated by the pump beam. The speciesconcentration, temperature, and theflow velocity can be derived fromthe amplitude, width, and the time-of-flight of the deflection signal,respectively.’’Gupta and post-doctoral assistant

Yunjing Li reported using theirPTDS system to measure the con-centration of the hydroxyl radicalwithin a methane flame, its tem-perature and its flow velocity. ‘‘If Idetect a signal, I know I’ve detectedhydroxyl,’’ said Gupta. To combatnoise, measurements were takenover 50 seconds – 500 pulses at 10pulses per second – and the signalintegrated; random noise drops outover time, but the molecular signalremains.Gupta and his team are continuing

their attempts to improve the signal-to-noise ratio in order to reduce the

time needed for detection. ‘‘Ideally,we would like to have a measure-ment in a single pulse,’’ he said. ‘‘Weare engaged in experiments todemonstrate that this indeed is pos-sible, and will then use this tech-nique to make measurements ofseveral minority species in a varietyof flames.’’

Contact:Rajendra GuptaUniversity of ArkansasTel.: +1 479 575-5933E-mail: rgupta@uark.eduWebsite: www.uark.edu/depts/physics/about/gupta.html

LGC selects £0.5mFT-MS for major project

Independent analytical laboratoryLGC, which provides chemical, bio-chemical and DNA analysis, has

purchased and installed a £0.5m($0.77m) APEX III 47e Fouriertransform mass spectrometer (FT-MS) from Bruker Daltonics for useas part of a major collaborativeproject in mass spectrometry in theUK.The MS project [1] is supported

by the UK government’s DTINational Measurement System, forwhich LGC is the leading con-tractor, in the field of chemistry andmolecular biology. LGC will also becollaborating with Bruker Daltonicsin developing other applications forthis instrument, ranging from thecharacterisation of synthetic poly-mers to protein analysis.‘‘The new instrument and the col-

laboration with Bruker Daltonicswill enable us to tackle this impor-tant and rapidly developing field. Wehope to go some way towardsdeveloping widely-recognised refer-ence standards, which are not yetavailable,’’ said LGC analytical tech-nology director and GovernmentChemist John Marriott.

Mass spectrum of a 40-mer oligonucleotide analysed using a triple quadrole (single quadrupole mode) mass spectrometer.Image courtesy of LGC.

trends in analytical chemistry, vol. 21, no. 8, 2002 VII

‘‘Bruker Daltonics’s readiness andability to enter into a long-term col-laborative arrangement with LGCwas an important factor in our deci-sion to purchase this instrument,’’said LGC senior scientist Mike Sar-gent. ‘‘Extensive co-operation withthe measurement supply chain is akey element of our role in theNational Measurement System andthe new DTI project has brought onboard all the major UK instrumentsuppliers, academic groups, andpharma/chemical companies activein this field.’’

Contact:Keith MarshallLGCTel.: +44 (0)20 8943 7614Fax: +44 (0)20 8943 2767E-mail: keith.marshall@lgc.co.uk

Reference

[1] LGC develops good practice onmass measurement, Trends Anal.Chem. 21 (2002) IV

MDS-ARUP allianceproves productive

Canada-based MDS and USA-basedARUP Laboratories, which is ownedby the University of Utah, haveformed a new alliance, wherebyARUP will provide a primary esotericreference laboratory for MDS-mana-ged regional laboratories in the USA.MDS and ARUP have collabo-

rated on other projects, includingthe development of new assaysfor methylmelonic acid and urinarymetanephrines using MDS Sciex’s

tandem mass-spectrometry instru-mentation, which provided thenecessary sensitivity and accuracy.ARUP has also installed an Auto-

mated Transport and Sorting Systembuilt by MDS AutoLab and devel-oped a rules-based order-entrycomputer system, Expert SpecimenProcessing (ESP), to complementthe automation. This combinedautomated system enables speci-mens to reach the testing area asmuch as two hours earlier, and withhigher accuracy and efficiency. Thesystem allows ARUP’s professionalsto focus on interpretive and con-sultative aspects of their laboratoryservice.

Contact:Ronald WeissARUP LaboratoriesTel.: +1 (801) 584-5188E-mail: weissrl@aruplab.com

Mass spectrum of a 40-mer oligonucleotide analysed using the Bruker Daltonics APEX III 47e FTMS. The superior resolution ofthis spectrometer can distinguish the monoisotopic peaks of the [M–H]�14 state. Image courtesy of LGC.

VIII trends in analytical chemistry, vol. 21, no. 8, 2002

Nanoflow identifies andcharacterizes proteins

Agilent Technologies has introducedthe Nanoflow Proteomics Solution,an integrated liquid-chromatograph/ion-trap mass-spectrometer systemthat is optimized for proteomicsapplications by operating at nl/minflow rates so as to improve LC/MS/MS sensitivity.The system provides automated

desalting and enrichment, thanks tointegrated column-switching valvesand columns specially designed forthese low flow rates.The LC pump is optimized for

nl/min flows. It features active-feedback flow control that, unlike

passive splitting, provides stable,accurate flow control. The stabilityof LC flow results in the more stableion generation.With this stable LC flow, the 1100

Series LC/MSD Trap SL ion-trapMS provides low-femtomole-level,or better, sensitivity. The combina-tion of scan speed and resolutionmeans that the LC/MSD Trap SLcan often acquire multiple scansover even narrow chromatographicpeaks, thus allowing the spectrumaveraging that increases data quality.SmartFrag collision-energy rampingensures that every peptide receives thecorrect collision energy for dissocia-tion during MS/MS data acquisition.Data-dependent acquisition and

analysis functions of particular inter-est to proteomics researchers include:

. active exclusion;

. isotopic exclusion;

. N most abundant precursors;

. preferred charge-state selection;

and,

. automatic spectral identification

and averaging.

The Nanoflow software is fullycompatible with Matrix Science’s Mas-cot protein-database search program.

Contact:David FisherAgilent TechnologiesTel.: +1 (650) 485 4688E-mail: david_fisher@agilent.com

Singapore attractsJapanese proteomicsinvestment

Singapore-based Agenica ResearchPte Ltd has attracted a S$2.736m(US$1.54m) investment fromShimadzu Corporation in proteomics,its first investment in a biotechnol-ogy venture outside Japan.

Agenica’s molecular gene-expres-sion database is set to accelerate thedevelopment of novel diagnostics,according to Shimadzu. As a result ofthis investment, Shimadzu Biotech isto develop new proteomics technolo-gies, with a view to entering the mole-cular diagnostic market in future. Itwill play an active role in Agenica’sresearch, contributing to its direction,development and commercialization.The joint project includes:

. development of new proteomics

technologies based on cancer-

disease specimens and clinical

data, and the construction of

application data;

. development of analytical equip-

ment and reagents and their

application to the proteomics-

analysis service business; and,

. construction of a cancer-related

protein database.

Shimadzu Biotech’s plans for thisyear include:

. selling a mass spectrometer and

pretreatment equipment for

protein analysis;

. launching an analysis service for

2-dimensional protein analysis

and oligo-DNA composition

and microbe-gene analysis; and,

. establishing a base for a protein-

analysis service at Tsukuba, Japan.

Contact:Tetsuo IchikawaShimadzu BiotechTel.: +81-75-823-1148E-mail: tichi@shimadzu.co.jp

Swedish NMR centreorders first 900 MHzNMR spectrometer

The Swedish NMR Centre (SNC)in Goteborg, Sweden, has placed the

At a level so low (10 fmol on column)that the base peak chromatogramshows no clearly identifiable peaks, thesoftware still identifies significant pre-cursor ions, acquires MS/MS spectra,and produces the correct sample iden-tity (bovine serum albumin) throughdatabase matching—all automatically.

trends in analytical chemistry, vol. 21, no. 8, 2002 IX

first European order, worth over$5m, for Varian’s 900 MHz nuclearmagnetic resonance (NMR) spectro-meter, the most powerful in theworld.The system will allow researchers

to examine membrane-bound pro-teins as well as field-dependentrelaxation measurements for thestudy of protein dynamics. It isexpected to be operational in late2003.‘‘The demonstrated quality of the

magnet was influential in our deci-sion to buy our 900 MHz systemfrom Varian,’’ said SNC chairmanProfessor Lars Baltzer of thedepartment of chemistry at Linkop-ing University. ‘‘Its stability andhomogeneity are crucial to our stud-ies. Funding from the Knut andAlice Wallenberg Foundation andGoteborg University has made itpossible for us to compete with anyresearch centre world-wide by beingequipped with this latest technologyat an early date.’’Currently, the SNC is operating

several Varian NMR spectrometers,including two 600 MHz systems,two 500 MHz systems and one 800MHz system.

Contact:Professor Lars BaltzerSwedish NMR CentreTel.: +46 13 282 595E-mail: larba@ifm.liu.se

Tackling the drug-leadoptimization bottleneck

TrAC Staff Editor Alex Crawfordhas finalized the schedule for thehalf-day symposium, ‘‘Tackling theDrug-Lead Optimization Bottle-neck’’, which he has arranged to beincluded in the Technical Program

for Pittcon 2003 in Orlando, Flor-ida, USA, between 9 and 14 March.Following the success of genomics

and proteomics in providing thou-sands of new potential biologicaltargets for small-molecule drugs andthe success of parallel synthesis andcombinatorial chemistry in generat-ing thousands of hits as potentialdrug leads, the major bottleneckfacing pharmaceutical and bio-technology companies is in selectingthe best candidates to go through topreclinical trials. This requires so-called ADMET (absorption, dis-tribution, metabolism, excretion andtoxicity) studies. Because they arevery time consuming and costly inanalytical chemistry resources,ADMET studies have caused thebottleneck that pharmaceutical andbiotechnology companies are keento overcome as soon as possible.Tackling the drug-lead optimizationbottleneck requires the iterative useof a wide range of medicinal chem-istry tools, including compoundlibraries, parallel synthesis, predictivecomputational chemistry, analyticalchemistry and in-vitro pharmacoki-netic screens, all supported by inno-vations in scientific software,including data-handling and pattern-recognition programs.This symposium aims to bring

together speakers to address thesetopics with the emphasis on the keycontribution of analytical chemistry.Sitta Sittampalam from Eli Lilly

& Company will present an over-view of technologies for biologicaland pharmacological measurementsfor turning drug leads to clinicalcandidates. Then, Chris Newton

from Argenta Discovery, based inthe UK, will give examples of med-icinal chemistry and drug-lead opti-mization. Next, Rod Cole from

Millennium Pharmaceuticals willdescribe applications of supercriticalfluid chromatography/mass spec-trometry (SFC/MS) to solving lead-

optimization problems, and Geof-

frey Barker from Ontogen Cor-

poration will introduce a novelapproach – automated parallelsynthesis and high-throughput pur-ification using mass-directed super-critical chromatography. TrAC Con-tributing Editor Professor Sandor

Gorog from Chemical Works of

Gedeon Richter in Hungary willoutline the role of analytical chem-istry in the New Safe MedicinesFaster Project that the EuropeanCommission is funding to strengthenthe competitiveness of Europe’spharmaceutical industry.

Contact:Alex CrawfordTrACTel.: +44 (0)1252 314708E-mail: alex@cargate.co.uk

Symposium topics

Apart from the TrAC symposium,eight Award symposia and the Spe-cial James L. Waters Symposium,the Pittcon 2003 Program Commit-tee is offering another 53 symposia:Applied spectroscopy – 12; Bioana-lytical – 9; Entrepreneurial – 1;Environmental – 3; Mass spectro-metry – 4; Microfluidics – 3; Nano-fluidics – 2; Nanotechnology – 6;Pharmacutical – 3; Security – 2;Sensors – 3; and, Separations – 5.In addition, on Sunday, 9 March

2003, Professor Fred McLafferty ofCornell University will present thePlenary Lecture entitled ‘‘The analy-tical challenges of the biomedicalrevolution’’.

For more information on theprogram or to be added to themailing list:The Pittsburgh ConferenceTel.: +1 (412) 825-3220Fax: +1 (412) 825 3224E-mail: program@pittcon.orgE-mail: pittconinfo@pittcon.org

X trends in analytical chemistry, vol. 21, no. 8, 2002

XRF identifies sub-ppmlevels of trace elements

With Pro-Trace software, users ofPhilips Analytical’s MagiX X-rayfluorescence (XRF) spectrometerscan analyse trace elements down tosub-ppm levels.This solution for calculating net

intensities in trace-element analysis isbased on a advanced algorithms for

accurate background determinationand corrections for matrix effects,spectral overlap and low-level spec-tral impurities. It can also makebackground correction for fixedchannels in simultaneous spectro-meters, thus resolving a difficultythat has long beset users whenattempting to perform accuratetrace-element analysis.Pro-Trace’s analytical technique

depends on the use of specially-pre-pared blank specimens and calibra-tion standards, which are available as

an option. According to the com-pany: ‘‘These standards have thecalibrating power of more than 200international standard referencematerials, providing major cost sav-ings for laboratories that do nothave the appropriate standards in-house.’’

Contact:Renate MunkPhilips AnalyticalTel.: +31 546 534 390E-mail: renate.munk@philips.com

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