- Email: [email protected]
In the News April 2005
Trends in Analytical Chemistry, Vol. 24, No. 4, 2005
In the news
In the news GC–MS detects methane and water ice on Titan The gas chromatography mass spectrometer (GC–MS) sent into space aboard the joint NASA/ESA/ ASI Cassini-Huygens mission to Saturn detected methane and water ice on Titan, after the successful descent and arrival of the Huygens probe on the surface of Saturn’s largest moon (Fig. 1). Principal Investigator for the Huygens Surface Science Package [SSP], Professor John Zarnecki from the Open University, Milton Keynes, UK, and his team analyzed and interpreted the data. “The Gas Chromatograph Mass Spectrometer has detected a ‘whiff’ of methane evaporating off the surface and the SSP data has also shown indications of gas flowing into its sensing area”, he said (Fig. 2).
Figure 1. These images show new features on Titan, such as evidence of flow around “islands”, deposits of water ice, and channels, which could have been created by methane springs.
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Figure 2. Methane concentration as measured on Titan.
“These gaseous outbursts were released as heat generated by Huygens warmed the soil beneath the probe. This is a tantalizing glimpse of the processes at work on Titan and shows how the weather systems operate with methaneforming clouds and raining down on to the surface – producing the drainage channels, river beds and other features that we see in the images”. Data from the penetrometer, the very first instrument to touch the surface of Titan and then pushed through the crust to a depth of 10–15 cm, indicated that, beneath the thin crust, lies a material with the consistency of sand or clay – but made of water–ice grains rather than the rock grains that are found on Earth (Fig. 3). The science data received by Huygens will provide the vital “ground truth” for the Cassini
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spacecraft as it continues its scientific observations of Titan during its four-year tour of Saturn. Contact: Website: http://www.pparc.ac.uk/ Nw/titan_whi.asp
Opportunity finds iron meteorite on Mars NASA’s Mars Exploration rover Opportunity has found an iron meteorite that was the first ever meteorite of any type identified on another planet (Fig. 4). The pitted, basketball-sized meteorite mostly comprises iron and nickel, according to readings from spectrometers on the rover. Only a small fraction of the meteorites that have fallen on Earth are as metal-rich. iii
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Trends in Analytical Chemistry, Vol. 24, No. 4, 2005
Figure 3. Water vapor measured on Titan.
Figure 4. NASA’s Mars Exploration rover Opportunity found this iron meteorite on Mars. Readings from spectrometers on the rover determined that the meteorite is composed of iron and nickel. This approximately true-color composite combines images taken through the 600-nm (red), 530-nm (green), and 480-nm (blue) filters of the panoramic camera on board Opportunity. (Image credit: NASA/JPL/Cornell.)
“This is a huge surprise, though maybe it shouldn’t have been”, said Steve Squyres of Cornell University, New York, USA, who was principal investigator for the science instruments on Opportunity and its twin, Spirit. iv
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Called “Heat Shield Rock”, the meteorite sits near debris of Opportunity’s heat shield on the surface of Meridiani Planum, a cratered flatland that has been Opportunity’s home since the robot landed on Mars a year ago.
“I never thought we would get to use our instruments on a rock from someplace other than Mars”, said Squyres. “Think about where an iron meteorite comes from: a destroyed planet or planetesimal that was big enough to differentiate into a metallic core and a rocky mantle”. Rover scientists are wondering whether some rocks that Opportunity has seen on the ground surface are rocky meteorites. “Mars should be hit by a lot more rocky meteorites than iron meteorites”, said Squyres. The numbers of exposed meteorites could be an indication of whether this Martian plain is gradually eroding away or being built up.
Unexpected science ‘gold’ “Exploring meteorites is a vital part of NASA’s scientific agenda”, said NASA Chief Scientist Jim Garvin, “and discovering whether there are storehouses of them on Mars opens new research possibilities, including further incentives for robotic and then human-based sample-return missions. Mars continues to provide unexpected science ‘gold’, and our rovers have proven the value of mobile exploration with this latest finding”. Initial observation of Heat Shield Rock from a distance with Opportunity’s miniature thermal emission spectrometer suggested a metallic composition and raised speculation that it was a meteorite. The rover drove close enough to use its Mo¨ssbauer and alpha-particle X-ray spectrometers, which confirmed the initial identification of the meteorite. Opportunity and Spirit successfully completed their primary three-month missions on Mars in April 2004. NASA has extended their missions because the rovers have remained in good condition to continue exploring Mars. They have also found geological evidence of past
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wet environmental conditions that might have been hospitable to life. Contact: Website: http://marsrovers.jpl. nasa.gov/
IBM pilots remote control for Smart Lab Chemists at the University of Southampton will soon be monitoring their experiments from a distance, following a pioneering IBM project to wire their laboratory for remote control (Fig. 5). The researchers will be able to keep an eye on reactions that they have left running in the lab via a smart phone. This e-science project was made possible by IBM’s WebSphere MQ “middleware”, which is special software that enables unrelated computer systems to talk to one another securely in real time. Sensors in the laboratory gather data on temperature, light levels, motion in the room, power status and door opening/closing and relay this to an IBM “message broker”. The message broker makes the data available to anyone authorized to see them and can present critical data on the web or on a smart phone. The system is also easy to update with new sensors at any time.
“In the next phase, it will be possible to click a button on a web page or on a smart phone to turn something on or off in the lab”, said IBM Pervasive Messaging Technologies Manager Andy Stanford-Clark. “The system might need to ask a question – ‘I’m going to start this experiment, is that OK?’ – then wait for the scientist to confirm that it is really OK to start. Our aim is get to a state where aspects of the research lab are automated enough to be able to run the lab ‘lights out’ – no graduate students in sight!” Powerful tool “It’s a powerful tool with lots of potential uses”, said Jeremy Frey, Reader in Southampton’s Department of Chemistry, who is a keen promoter of the project. His research group, working as part of the Combechem project, has been successfully trying out the system. Combechem, with £2.2m funding from the UK’s Engineering and Physical Sciences Research Council as one of six e-science test-bed pilot grants, is an interdisciplinary e-science project involving Southampton and Bristol Universities with backing from Pfizer, Roche and IBM. “We have already proved that it really works remotely”, said Frey. One of our postgraduate students, Jamie
Figure 5. Laser laboratory is monitored remotely at University of Southampton, UK.
In the news
Robinson, was speaking about this monitoring project at a conference in Paris. As he showed the audience a live web demo of the telemetry data, he noticed that the lab temperature was five degrees above normal. He phoned the University and the technicians told him that the air conditioning had broken down and that they were desperately trying to fix it”. Contact: Jeremy Frey Laser & Surface Chemistry Research Group Department of Chemistry University of Southampton, UK E-mail: [email protected]
European Union sets levels for PAHs in food The European Union (EU) has set maximum levels for polycyclic aromatic hydrocarbons (PAHs) in food, such as grilled meats, after the Scientific Committee on Food (SCF) of the European Commission (EC) considered them to be genotoxic carcinogens [1]. The EU also laid down the sampling methods and the methods of analysis for the official control of the levels of benzo(a)pyrene in foodstuffs [2]. PAHs can contaminate foods during heating and drying processes that allow combustion products to come into direct contact with them. According to the SCF, benzo(a)pyrene can be used as a marker for the occurrence and effect of carcinogenic PAHs in foods, and EC has describes how the sampling is to be carried out in terms of sampling plans and sample preparation. It also specifies the methods of analysis to be used by the laboratory and performance criteria. A short reference list gives guidance on the measurement of uncertainty, recovery factors, proficiency testing and internal quality controls for analytical laboratories. The EU set the following limits for PAHs in foods (as benzo(a)pyrene on wet weight): http://www.elsevier.com/locate/trac
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Oils and fats intended for direct human consumption or use as an ingredient in foods (excluding cocoa butter until 01/04/07) Baby foods and processed cereal-based foods for infants and young children Infant formulae and follow-on formulae, including infant milk and follow-on milk Dietary foods for special medical purposes intended specifically for infants Smoked meats and smoked meat products Muscle meat of smoked fish and smoked fishery products, excluding bivalve mollusks Muscle meat of fish, other than smoked fish Crustaceans, cephalopods, other than smoked Bivalve mollusks
References [1] European Commission, Commission Regulation (EC) No. 208/2005 of 4 February 2005 amending Regulation (EC) No 466/2001 as regards polycyclic aromatic hydrocarbons, O. J. Eur. Union 48 (2005) L 34/3. [2] European Commission, Commission Regulation (EC) No. 2005/10/EC of 4 February 2005 amending Regulation (EC) No. 466/2001 laying down the sampling methods and the methods of analysis for the ocial control of the levels of benzo(a)pyrene in foodstus, O. J. Eur. Union 48 (2005) L 34/15.
REACH is going well for chemical industry Members of the European Parliament (MEPs) impressed Judith Hackitt, Director General of the UK Chemical Industries Association (CIA), with the quality of their debate and questions at their Public Hearing on REACH (Registration, Evaluation and Authorization of Chemicals) in Brussels in midJanuary. REACH remains the number one legislative issue for the sustainable future of the European chemical industry, according to the CIA. “The degree of consensus amongst the presenters was also encouraging and it is clear that REACH is getting there, but the legislation still needs a lot of change to make it workable”, warned Hackitt. vi
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2.0 lg/kg 1.0 lg/kg 1.0 lg/kg 1.0 lg/kg 5.0 lg/kg 5.0 lg/kg 2.0 lg/kg 5.0 lg/kg 10.0 lg/kg
Of the key issues that need to be addressed, MEPs identified two in particular, she said: • finding out if the “One Substance: One Regulation” approach will really work and whether it should be voluntary or mandatory; • ensuring goods produced inside the European Union (EU) containing registered chemicals are treated fairly compared to goods sold in the EU but manufactured elsewhere. Hackitt expressed pleasure that MEPs seemed to recognize that taking too long to debate and resolve these issues in Parliament would cause continued uncertainty for the industry and delay in achieving the benefits of REACH. “The (European) Commission must ensure complete clarity on its position on when, and to what extent, they will be prepared to change their proposal,” said Hackitt. “It will be a great pity if confusion about this, between the Commission and the Parliament, gets in the way of an otherwise very positive start to this new phase in the REACH saga”. The CIA continues to support the overall objectives of REACH: • protecting human health and the environment; • developing a single new system of registration and evaluation of substances; • the principle of risk based decision-making. “We believe, to help ensure our industry’s sustainable future, that we have a responsibility to our
workers, our customers and to the public to ensure that all our products are safe – and we fully accept that new legislation is needed to achieve this level of reassurance”, stated the CIA. Contact: Website: http://www.cia.org.uk/
Molecular tweezer recognizes specific monomer sequences A “molecular tweezer” (Fig. 6) can recognize specific monomer sequences in a linear copolymer, according to a team of chemists at the University of Reading, led by Professor Howard Colquhoun, whose system has achieved this breakthrough [1,2]. As a result, for the first time ever, sequence-information in a synthetic polymer has been “read” by a mechanism that mirrors a process on which life is based. Professor Colquhoun and his colleague, Zhixue Zhu, designed the “tweezer” so that it binds at particular sites along the polymer chain – namely, at the sequences that complement its own structure most closely. They then used spectroscopic methods to show that the “tweezer” can bind at both adjacent and non-adjacent sites along the polymer chain. From this evidence, they could clearly identify specific sequences present within the copolymer, which is made of several different structural units. A detailed picture of the way in which the “tweezer” binds to the polymer chain was finally obtained when Zhu obtained crystals of a complex between the “tweezer” and a model oligomer, and Christine Cardin and Yu Gan determined their structure. “This is a unique system in which sequence-information in a polymer chain can be ‘read’ through sequence-selective interactions with small molecules”, said Professor
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Contact: Professor H.M. Colquhoun School of Chemistry University of Reading, UK E-mail: [email protected]
LaPy-GC–MS goes on-line to find oil
Figure 6. Model showing the “molecular tweezer” (colored magenta) bound to a section of polymer chain, which itself folds to enhance the strength of binding. In this model, the atoms are represented both in ball-and-stick format and as semi-transparent spheres at their full diameter.
Colquhoun. “As such, we believe that the ‘tweezer’ will represent a significant contribution to the eventual development of ultraminiaturized information-storage and processing at the molecular level. “Moreover, the principles of sequence-recognition emerging from this entirely synthetic system could help us develop an understanding of the way in which biological information-processing may have originated some 3 billion years ago”, he said. “A paradoxical feature of information theory is that polymers with entirely random sequences (as in the copolymers we are working with) contain more potential information than any other type of polymer. Indeed, DNA itself appears at first sight to be an entirely random copolymer, in the sense that there are no rules governing the sequence of the bases. The sequence acquires meaning only though the operation of the genetic code, which is itself based on
sequence-specific binding of small molecules to polymer chains. This observation, together with our own results, leads one to speculate that the earliest biological sequence-information may have originated as a (natural) selection from random monomer sequences occurring in a population of replicating co-polymers.” Professor Colquhoun and colleagues hope to modify the “tweezer” to promote reactions between neighboring molecules when these are bound to the polymer. This would mimic biological informationprocessing to an even greater extent, as sequence-information would be copied into an entirely different type of molecule.
References [1] H.M. Colquhoun, Z. Zhu, Angew. Chem., Int. Ed. Engl. 38 (2004) 5040. [2] H.M. Colquhoun, Z. Zhu, C.J. Cardin, Y. Gan, Chem. Commun. 23 (2004) 2650.
On-line laser micropyrolysis gas chromatography–mass spectrometry (LaPy-GC–MS) is at the heart of a collaborative project between Australia’s CSIRO Petroleum and Germany’s Laser Zentrum Hannover eV (LZH) that could save millions of dollars in oil exploration. In a three-year project, CSIRO and LZH researchers aim to enhance the capabilities of the LaPyGC/MS technique for quality control (QC) and geochemical analysis. LaPy is already widely accepted as effective in many applications, such as geochemical analysis for the petroleum industry, tissue analysis in laser medicine, QC in petrochemistry and laser-assisted production. The project is seeking to combine the advantages of similar techniques currently used in both laboratories for different purposes, according to CSIRO Petroleum organic geochemist Simon George. At LZH, LaPy has been demonstrated as a tool for QC in the automotive, polymer processing and woodworking industries. CSIRO has mainly used LaPy for petroleum industry and geochemical applications, except for some forensic work on analyzing paint chips, hairs and photocopier toner. The technique has considerable promise as a forensic tool because such samples are typically very small and only limited data can be acquired from them. “From the CSIRO’s perspective, enhancing this technique will
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enable more accurate analysis of small amounts of organic matter in source rocks and reservoir rocks, such as organic particles, microfossils, solid bitumens and oil-bearing fluid inclusions”, said George. “This will mean that the oil-source potential of different organic materials will be better understood, enabling better prediction of when source rocks were generated”. If single oil inclusions can be analyzed, this will enable scientists to make better prediction of where to drill new oil wells. There are very few operational LaPy systems in the world and efforts to refine the technique have been dispersed and isolated, according to LZH scientist Stephan Barcikowski. “This collaboration, between two of the most active labs in the World on LaPy, will enable pooling of resources and ideas, mutual testing of concepts and much quicker advancement and development of the technique”, said Barcikowski said. “One outcome of this project will be to give the LZH new access to the petroleum, geochemistry and petrochemistry market in Germany and Europe. “The whole potential of this technique for other applications may also be achieved if we can combine the advantages of our systems and further validate this analytical method”, he said. The CSIRO–LZH cooperation is partly funded by the International Bureau of the German Ministry of Research and Education with support from the German Aerospace Centre. CSIRO and LZH are considering a joint patent of the newly developed instrumentation and method. Contact: Simon George CSIRO Petroleum Sidney, Australia Tel.: +61 2 9490 8718. E-mail: [email protected]
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Biochip detects IBD The IBDchip from Progenika aims to optimize the diagnosis, prognosis and treatment of patients with inflammatory bowel disease (IBD) (including Crohn’s Disease (CD) and Ulcerous Colitis (UC)), following collaboration between Miquel Sans of the Gastroenterology Service at the Barcelona Hospital Clı´nico and Carlos Cara of UCB Pharma, Spain. The biochip is currently analyzing 46 mutations related to IBD and will shortly begin clinical trials. The polymorphisms analyzed are diverse and establish the risk of suffering from the disease, its prognosis and the response of the patient to the pharmacological treatment. Implantation of the IBDchip enables the selection of the most suitable therapy for each patient and it also determines, in family members of IBD sufferers who wish to be tested, predisposition for developing IBD. The evidence for IBD being of genetic origin is convincing. Of family members of CD and UC patients, 10– 20% also have these diseases. The IBDchip is an open tool that includes the polymorphisms associated with the disease, the predisposition to the disease and its evolution. As new mutations are identified, these can be easily incorporated into the IBDchip for analysis. Progenika, a biotechnology company located in the Basque Country, is pioneering this field in Spain. It has developed other, similar products: • Lipochip, developed for the Lcer pharmaceutical company, diagnoses family hypercholester- olemia). The Lipochip was the first biochip to obtain European Commission certification for diagnostic use. • Bloodchip for genotyping blood donors has recently started clinical trials involving over 4000 donors in Spain, Germany, UK,
The Netherlands and Czech Republic. Contact: Laureano Simo´n Progenika S.A. Tel.: +34 944 064 525 E-mail: [email protected] Website: http://www.progenika. com/
Chemical reactions analyzed instantly at point-of-use An advanced system for chemicalreaction analysis at point-of-use is available from Smiths Detection. The ChemID miniaturized Fourier transform infrared (FT-IR) spectrometer analysis system (Fig. 7) was developed to give organic chemists instant assessments of chemical progress, optimize chemical reactions, and rapidly identify and recognize polymorphs. Smiths Detection supplies trace-detection equipment, principally for homeland-security and defense applications. ChemID is versatile and compact (18 · 36 cm), so it can be placed close to a reaction set-up, even be placed in a safety hood. It rapidly analyses samples in any state with any solvent, including caustic and corrosive materials. At the heart of ChemID is ChemAssist software that removes the need for in-depth knowledge of IR spectroscopy, and eliminates the need to use IR-correlation-table analysis. “Organic chemists regularly take samples to assess the progress of chemical reactions, and these samples are then transported to specially designed laboratories for analysis”, said Robert Sandor, Life Sciences Vice President at Smiths Detection. “ChemID enables chemists to perform the same analysis quickly from their workspace. ChemID will not only improve efficiency, but also enable more rig-
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In the news
orous analysis of chemical reactions” (Fig. 8). ChemID uses a diamond attenuated total reflection (DATR) sampling interface. This not only provides a rugged, versatile interface, but has outstanding optical parameters and is easy to clean. An integrated 90· video microscope makes possible both spectral and visual characterization of solid forms. Moreover, video images and IR spectra are linked for rapid screening of polymorphs and solvates. Contact: Greg Durdock Smiths Detection Tel.: +1 203 207 9750. E-mail: greg.durdock@ smithsde tection.com Figure 7. ChemID FT-IR analysis system with screen.
Figure 8. ChemID software identifies specific functional groups (FGs) and the spectrum shows results taken through the experiment. The green spectrum shows that the desired product/intermediate is beginning to be produced.
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Lab-on-a-Chip analyzes PCR products Christian Maercker (RZPD Resource Center for Genome Research, Heidelberg, Germany) has revealed the first results of research that illustrate the benefits of the Agilent 5100 Automated Lab-ona-Chip Platform (ALP) in providing unattended analysis of thousands of DNA samples a day (Fig. 9). RZPD needs to provide clonebased resources (e.g., cDNAs, proteins and siRNAs), which are indispensable for genome research, explained Maercker. Until the 5100 ALP became available, each product had to be checked by gel analysis. This was a rate-limiting step because RZPD could process a maximum of only 400 samples a day as the gels had to be analyzed laboriously by eye.
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With the 5100 ALP, RZPD has achieved high-throughput analysis of 800 samples a day of DNA fragments. The whole process of sample loading and analysis has been automated. Maercker strongly recommends the 5100 ALP for the high-throughput analysis of PCR fragments, and looks forward to the possibility of extending its use to DNA fragments up to 12 kb, proteins and RNA. Contact: Claudia Hachter Agilent Technologies Tel.: +49 7243 602 100. E-mail: claudia_hachtel@agilent. com
HTT Roadmap shows UK the way ahead The InsightFaraday Partnership has made available a technology roadmap for high-throughput technolo-
gies (HTTs) on-line to provide UK industry with a step-by-step, comprehensive overview of the tools and techniques, benefits and barriers associated with HTT. “Our technology roadmap is a unique framework for quantifying the value of HTT to the UK”, said InsightFaraday Director Steve Fletcher. “Taking as our starting point the current status of HTT in the UK, we are aiming to create a dynamic resource – now on-line – to be reviewed and updated regularly to optimize the exploitation of HTT by industry, academe and society as a whole. We believe the roadmap will become a vital reference tool for companies in a wide range of sectors, enabling them to minimize the risks and costs arising from knowledge gaps in HTT”. InsightFaraday aims to make HTT an integral part of new product and process development, leading to reductions in “time to market” for industry.
Figure 9. Analysis of PCR products generated with gene-specific primers. In the results table, all the PCR products listed have been analyzed with the ALP 5100 during this run. One sample has been selected for a detailed report. The electropherogram shows size (269 bp) and concentration (45.2 ng/ll) of a single DNA band, which is flanked by the control peaks of the lower and the upper markers. (Courtesy, C. Maercker, RZPD).
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“The roadmap is industry driven, covering every aspect of HTT, from synthesis and catalysis, through to process engineering”, said Fletcher. “Much of the content is based on
information gained from three major consultation events, as well as multiple company visits, but it also incorporates important and significant input from academics”.
In the news
Contact: Steve Fletcher InsightFaraday Partnership E-mail: [email protected] Website: www.insightfaraday.org
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In the news GC–MS detects methane and water ice on Titan The gas chromatography mass spectrometer (GC–MS) sent into space aboard the joint NASA/ESA/ ASI Cassini-Huygens mission to Saturn detected methane and water ice on Titan, after the successful descent and arrival of the Huygens probe on the surface of Saturn’s largest moon (Fig. 1). Principal Investigator for the Huygens Surface Science Package [SSP], Professor John Zarnecki from the Open University, Milton Keynes, UK, and his team analyzed and interpreted the data. “The Gas Chromatograph Mass Spectrometer has detected a ‘whiff’ of methane evaporating off the surface and the SSP data has also shown indications of gas flowing into its sensing area”, he said (Fig. 2).
Figure 1. These images show new features on Titan, such as evidence of flow around “islands”, deposits of water ice, and channels, which could have been created by methane springs.
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Figure 2. Methane concentration as measured on Titan.
“These gaseous outbursts were released as heat generated by Huygens warmed the soil beneath the probe. This is a tantalizing glimpse of the processes at work on Titan and shows how the weather systems operate with methaneforming clouds and raining down on to the surface – producing the drainage channels, river beds and other features that we see in the images”. Data from the penetrometer, the very first instrument to touch the surface of Titan and then pushed through the crust to a depth of 10–15 cm, indicated that, beneath the thin crust, lies a material with the consistency of sand or clay – but made of water–ice grains rather than the rock grains that are found on Earth (Fig. 3). The science data received by Huygens will provide the vital “ground truth” for the Cassini
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spacecraft as it continues its scientific observations of Titan during its four-year tour of Saturn. Contact: Website: http://www.pparc.ac.uk/ Nw/titan_whi.asp
Opportunity finds iron meteorite on Mars NASA’s Mars Exploration rover Opportunity has found an iron meteorite that was the first ever meteorite of any type identified on another planet (Fig. 4). The pitted, basketball-sized meteorite mostly comprises iron and nickel, according to readings from spectrometers on the rover. Only a small fraction of the meteorites that have fallen on Earth are as metal-rich. iii
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Figure 3. Water vapor measured on Titan.
Figure 4. NASA’s Mars Exploration rover Opportunity found this iron meteorite on Mars. Readings from spectrometers on the rover determined that the meteorite is composed of iron and nickel. This approximately true-color composite combines images taken through the 600-nm (red), 530-nm (green), and 480-nm (blue) filters of the panoramic camera on board Opportunity. (Image credit: NASA/JPL/Cornell.)
“This is a huge surprise, though maybe it shouldn’t have been”, said Steve Squyres of Cornell University, New York, USA, who was principal investigator for the science instruments on Opportunity and its twin, Spirit. iv
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Called “Heat Shield Rock”, the meteorite sits near debris of Opportunity’s heat shield on the surface of Meridiani Planum, a cratered flatland that has been Opportunity’s home since the robot landed on Mars a year ago.
“I never thought we would get to use our instruments on a rock from someplace other than Mars”, said Squyres. “Think about where an iron meteorite comes from: a destroyed planet or planetesimal that was big enough to differentiate into a metallic core and a rocky mantle”. Rover scientists are wondering whether some rocks that Opportunity has seen on the ground surface are rocky meteorites. “Mars should be hit by a lot more rocky meteorites than iron meteorites”, said Squyres. The numbers of exposed meteorites could be an indication of whether this Martian plain is gradually eroding away or being built up.
Unexpected science ‘gold’ “Exploring meteorites is a vital part of NASA’s scientific agenda”, said NASA Chief Scientist Jim Garvin, “and discovering whether there are storehouses of them on Mars opens new research possibilities, including further incentives for robotic and then human-based sample-return missions. Mars continues to provide unexpected science ‘gold’, and our rovers have proven the value of mobile exploration with this latest finding”. Initial observation of Heat Shield Rock from a distance with Opportunity’s miniature thermal emission spectrometer suggested a metallic composition and raised speculation that it was a meteorite. The rover drove close enough to use its Mo¨ssbauer and alpha-particle X-ray spectrometers, which confirmed the initial identification of the meteorite. Opportunity and Spirit successfully completed their primary three-month missions on Mars in April 2004. NASA has extended their missions because the rovers have remained in good condition to continue exploring Mars. They have also found geological evidence of past
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wet environmental conditions that might have been hospitable to life. Contact: Website: http://marsrovers.jpl. nasa.gov/
IBM pilots remote control for Smart Lab Chemists at the University of Southampton will soon be monitoring their experiments from a distance, following a pioneering IBM project to wire their laboratory for remote control (Fig. 5). The researchers will be able to keep an eye on reactions that they have left running in the lab via a smart phone. This e-science project was made possible by IBM’s WebSphere MQ “middleware”, which is special software that enables unrelated computer systems to talk to one another securely in real time. Sensors in the laboratory gather data on temperature, light levels, motion in the room, power status and door opening/closing and relay this to an IBM “message broker”. The message broker makes the data available to anyone authorized to see them and can present critical data on the web or on a smart phone. The system is also easy to update with new sensors at any time.
“In the next phase, it will be possible to click a button on a web page or on a smart phone to turn something on or off in the lab”, said IBM Pervasive Messaging Technologies Manager Andy Stanford-Clark. “The system might need to ask a question – ‘I’m going to start this experiment, is that OK?’ – then wait for the scientist to confirm that it is really OK to start. Our aim is get to a state where aspects of the research lab are automated enough to be able to run the lab ‘lights out’ – no graduate students in sight!” Powerful tool “It’s a powerful tool with lots of potential uses”, said Jeremy Frey, Reader in Southampton’s Department of Chemistry, who is a keen promoter of the project. His research group, working as part of the Combechem project, has been successfully trying out the system. Combechem, with £2.2m funding from the UK’s Engineering and Physical Sciences Research Council as one of six e-science test-bed pilot grants, is an interdisciplinary e-science project involving Southampton and Bristol Universities with backing from Pfizer, Roche and IBM. “We have already proved that it really works remotely”, said Frey. One of our postgraduate students, Jamie
Figure 5. Laser laboratory is monitored remotely at University of Southampton, UK.
In the news
Robinson, was speaking about this monitoring project at a conference in Paris. As he showed the audience a live web demo of the telemetry data, he noticed that the lab temperature was five degrees above normal. He phoned the University and the technicians told him that the air conditioning had broken down and that they were desperately trying to fix it”. Contact: Jeremy Frey Laser & Surface Chemistry Research Group Department of Chemistry University of Southampton, UK E-mail: [email protected]
European Union sets levels for PAHs in food The European Union (EU) has set maximum levels for polycyclic aromatic hydrocarbons (PAHs) in food, such as grilled meats, after the Scientific Committee on Food (SCF) of the European Commission (EC) considered them to be genotoxic carcinogens [1]. The EU also laid down the sampling methods and the methods of analysis for the official control of the levels of benzo(a)pyrene in foodstuffs [2]. PAHs can contaminate foods during heating and drying processes that allow combustion products to come into direct contact with them. According to the SCF, benzo(a)pyrene can be used as a marker for the occurrence and effect of carcinogenic PAHs in foods, and EC has describes how the sampling is to be carried out in terms of sampling plans and sample preparation. It also specifies the methods of analysis to be used by the laboratory and performance criteria. A short reference list gives guidance on the measurement of uncertainty, recovery factors, proficiency testing and internal quality controls for analytical laboratories. The EU set the following limits for PAHs in foods (as benzo(a)pyrene on wet weight): http://www.elsevier.com/locate/trac
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Oils and fats intended for direct human consumption or use as an ingredient in foods (excluding cocoa butter until 01/04/07) Baby foods and processed cereal-based foods for infants and young children Infant formulae and follow-on formulae, including infant milk and follow-on milk Dietary foods for special medical purposes intended specifically for infants Smoked meats and smoked meat products Muscle meat of smoked fish and smoked fishery products, excluding bivalve mollusks Muscle meat of fish, other than smoked fish Crustaceans, cephalopods, other than smoked Bivalve mollusks
References [1] European Commission, Commission Regulation (EC) No. 208/2005 of 4 February 2005 amending Regulation (EC) No 466/2001 as regards polycyclic aromatic hydrocarbons, O. J. Eur. Union 48 (2005) L 34/3. [2] European Commission, Commission Regulation (EC) No. 2005/10/EC of 4 February 2005 amending Regulation (EC) No. 466/2001 laying down the sampling methods and the methods of analysis for the ocial control of the levels of benzo(a)pyrene in foodstus, O. J. Eur. Union 48 (2005) L 34/15.
REACH is going well for chemical industry Members of the European Parliament (MEPs) impressed Judith Hackitt, Director General of the UK Chemical Industries Association (CIA), with the quality of their debate and questions at their Public Hearing on REACH (Registration, Evaluation and Authorization of Chemicals) in Brussels in midJanuary. REACH remains the number one legislative issue for the sustainable future of the European chemical industry, according to the CIA. “The degree of consensus amongst the presenters was also encouraging and it is clear that REACH is getting there, but the legislation still needs a lot of change to make it workable”, warned Hackitt. vi
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2.0 lg/kg 1.0 lg/kg 1.0 lg/kg 1.0 lg/kg 5.0 lg/kg 5.0 lg/kg 2.0 lg/kg 5.0 lg/kg 10.0 lg/kg
Of the key issues that need to be addressed, MEPs identified two in particular, she said: • finding out if the “One Substance: One Regulation” approach will really work and whether it should be voluntary or mandatory; • ensuring goods produced inside the European Union (EU) containing registered chemicals are treated fairly compared to goods sold in the EU but manufactured elsewhere. Hackitt expressed pleasure that MEPs seemed to recognize that taking too long to debate and resolve these issues in Parliament would cause continued uncertainty for the industry and delay in achieving the benefits of REACH. “The (European) Commission must ensure complete clarity on its position on when, and to what extent, they will be prepared to change their proposal,” said Hackitt. “It will be a great pity if confusion about this, between the Commission and the Parliament, gets in the way of an otherwise very positive start to this new phase in the REACH saga”. The CIA continues to support the overall objectives of REACH: • protecting human health and the environment; • developing a single new system of registration and evaluation of substances; • the principle of risk based decision-making. “We believe, to help ensure our industry’s sustainable future, that we have a responsibility to our
workers, our customers and to the public to ensure that all our products are safe – and we fully accept that new legislation is needed to achieve this level of reassurance”, stated the CIA. Contact: Website: http://www.cia.org.uk/
Molecular tweezer recognizes specific monomer sequences A “molecular tweezer” (Fig. 6) can recognize specific monomer sequences in a linear copolymer, according to a team of chemists at the University of Reading, led by Professor Howard Colquhoun, whose system has achieved this breakthrough [1,2]. As a result, for the first time ever, sequence-information in a synthetic polymer has been “read” by a mechanism that mirrors a process on which life is based. Professor Colquhoun and his colleague, Zhixue Zhu, designed the “tweezer” so that it binds at particular sites along the polymer chain – namely, at the sequences that complement its own structure most closely. They then used spectroscopic methods to show that the “tweezer” can bind at both adjacent and non-adjacent sites along the polymer chain. From this evidence, they could clearly identify specific sequences present within the copolymer, which is made of several different structural units. A detailed picture of the way in which the “tweezer” binds to the polymer chain was finally obtained when Zhu obtained crystals of a complex between the “tweezer” and a model oligomer, and Christine Cardin and Yu Gan determined their structure. “This is a unique system in which sequence-information in a polymer chain can be ‘read’ through sequence-selective interactions with small molecules”, said Professor
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Contact: Professor H.M. Colquhoun School of Chemistry University of Reading, UK E-mail: [email protected]
LaPy-GC–MS goes on-line to find oil
Figure 6. Model showing the “molecular tweezer” (colored magenta) bound to a section of polymer chain, which itself folds to enhance the strength of binding. In this model, the atoms are represented both in ball-and-stick format and as semi-transparent spheres at their full diameter.
Colquhoun. “As such, we believe that the ‘tweezer’ will represent a significant contribution to the eventual development of ultraminiaturized information-storage and processing at the molecular level. “Moreover, the principles of sequence-recognition emerging from this entirely synthetic system could help us develop an understanding of the way in which biological information-processing may have originated some 3 billion years ago”, he said. “A paradoxical feature of information theory is that polymers with entirely random sequences (as in the copolymers we are working with) contain more potential information than any other type of polymer. Indeed, DNA itself appears at first sight to be an entirely random copolymer, in the sense that there are no rules governing the sequence of the bases. The sequence acquires meaning only though the operation of the genetic code, which is itself based on
sequence-specific binding of small molecules to polymer chains. This observation, together with our own results, leads one to speculate that the earliest biological sequence-information may have originated as a (natural) selection from random monomer sequences occurring in a population of replicating co-polymers.” Professor Colquhoun and colleagues hope to modify the “tweezer” to promote reactions between neighboring molecules when these are bound to the polymer. This would mimic biological informationprocessing to an even greater extent, as sequence-information would be copied into an entirely different type of molecule.
References [1] H.M. Colquhoun, Z. Zhu, Angew. Chem., Int. Ed. Engl. 38 (2004) 5040. [2] H.M. Colquhoun, Z. Zhu, C.J. Cardin, Y. Gan, Chem. Commun. 23 (2004) 2650.
On-line laser micropyrolysis gas chromatography–mass spectrometry (LaPy-GC–MS) is at the heart of a collaborative project between Australia’s CSIRO Petroleum and Germany’s Laser Zentrum Hannover eV (LZH) that could save millions of dollars in oil exploration. In a three-year project, CSIRO and LZH researchers aim to enhance the capabilities of the LaPyGC/MS technique for quality control (QC) and geochemical analysis. LaPy is already widely accepted as effective in many applications, such as geochemical analysis for the petroleum industry, tissue analysis in laser medicine, QC in petrochemistry and laser-assisted production. The project is seeking to combine the advantages of similar techniques currently used in both laboratories for different purposes, according to CSIRO Petroleum organic geochemist Simon George. At LZH, LaPy has been demonstrated as a tool for QC in the automotive, polymer processing and woodworking industries. CSIRO has mainly used LaPy for petroleum industry and geochemical applications, except for some forensic work on analyzing paint chips, hairs and photocopier toner. The technique has considerable promise as a forensic tool because such samples are typically very small and only limited data can be acquired from them. “From the CSIRO’s perspective, enhancing this technique will
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enable more accurate analysis of small amounts of organic matter in source rocks and reservoir rocks, such as organic particles, microfossils, solid bitumens and oil-bearing fluid inclusions”, said George. “This will mean that the oil-source potential of different organic materials will be better understood, enabling better prediction of when source rocks were generated”. If single oil inclusions can be analyzed, this will enable scientists to make better prediction of where to drill new oil wells. There are very few operational LaPy systems in the world and efforts to refine the technique have been dispersed and isolated, according to LZH scientist Stephan Barcikowski. “This collaboration, between two of the most active labs in the World on LaPy, will enable pooling of resources and ideas, mutual testing of concepts and much quicker advancement and development of the technique”, said Barcikowski said. “One outcome of this project will be to give the LZH new access to the petroleum, geochemistry and petrochemistry market in Germany and Europe. “The whole potential of this technique for other applications may also be achieved if we can combine the advantages of our systems and further validate this analytical method”, he said. The CSIRO–LZH cooperation is partly funded by the International Bureau of the German Ministry of Research and Education with support from the German Aerospace Centre. CSIRO and LZH are considering a joint patent of the newly developed instrumentation and method. Contact: Simon George CSIRO Petroleum Sidney, Australia Tel.: +61 2 9490 8718. E-mail: [email protected]
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Biochip detects IBD The IBDchip from Progenika aims to optimize the diagnosis, prognosis and treatment of patients with inflammatory bowel disease (IBD) (including Crohn’s Disease (CD) and Ulcerous Colitis (UC)), following collaboration between Miquel Sans of the Gastroenterology Service at the Barcelona Hospital Clı´nico and Carlos Cara of UCB Pharma, Spain. The biochip is currently analyzing 46 mutations related to IBD and will shortly begin clinical trials. The polymorphisms analyzed are diverse and establish the risk of suffering from the disease, its prognosis and the response of the patient to the pharmacological treatment. Implantation of the IBDchip enables the selection of the most suitable therapy for each patient and it also determines, in family members of IBD sufferers who wish to be tested, predisposition for developing IBD. The evidence for IBD being of genetic origin is convincing. Of family members of CD and UC patients, 10– 20% also have these diseases. The IBDchip is an open tool that includes the polymorphisms associated with the disease, the predisposition to the disease and its evolution. As new mutations are identified, these can be easily incorporated into the IBDchip for analysis. Progenika, a biotechnology company located in the Basque Country, is pioneering this field in Spain. It has developed other, similar products: • Lipochip, developed for the Lcer pharmaceutical company, diagnoses family hypercholester- olemia). The Lipochip was the first biochip to obtain European Commission certification for diagnostic use. • Bloodchip for genotyping blood donors has recently started clinical trials involving over 4000 donors in Spain, Germany, UK,
The Netherlands and Czech Republic. Contact: Laureano Simo´n Progenika S.A. Tel.: +34 944 064 525 E-mail: [email protected] Website: http://www.progenika. com/
Chemical reactions analyzed instantly at point-of-use An advanced system for chemicalreaction analysis at point-of-use is available from Smiths Detection. The ChemID miniaturized Fourier transform infrared (FT-IR) spectrometer analysis system (Fig. 7) was developed to give organic chemists instant assessments of chemical progress, optimize chemical reactions, and rapidly identify and recognize polymorphs. Smiths Detection supplies trace-detection equipment, principally for homeland-security and defense applications. ChemID is versatile and compact (18 · 36 cm), so it can be placed close to a reaction set-up, even be placed in a safety hood. It rapidly analyses samples in any state with any solvent, including caustic and corrosive materials. At the heart of ChemID is ChemAssist software that removes the need for in-depth knowledge of IR spectroscopy, and eliminates the need to use IR-correlation-table analysis. “Organic chemists regularly take samples to assess the progress of chemical reactions, and these samples are then transported to specially designed laboratories for analysis”, said Robert Sandor, Life Sciences Vice President at Smiths Detection. “ChemID enables chemists to perform the same analysis quickly from their workspace. ChemID will not only improve efficiency, but also enable more rig-
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orous analysis of chemical reactions” (Fig. 8). ChemID uses a diamond attenuated total reflection (DATR) sampling interface. This not only provides a rugged, versatile interface, but has outstanding optical parameters and is easy to clean. An integrated 90· video microscope makes possible both spectral and visual characterization of solid forms. Moreover, video images and IR spectra are linked for rapid screening of polymorphs and solvates. Contact: Greg Durdock Smiths Detection Tel.: +1 203 207 9750. E-mail: greg.durdock@ smithsde tection.com Figure 7. ChemID FT-IR analysis system with screen.
Figure 8. ChemID software identifies specific functional groups (FGs) and the spectrum shows results taken through the experiment. The green spectrum shows that the desired product/intermediate is beginning to be produced.
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Lab-on-a-Chip analyzes PCR products Christian Maercker (RZPD Resource Center for Genome Research, Heidelberg, Germany) has revealed the first results of research that illustrate the benefits of the Agilent 5100 Automated Lab-ona-Chip Platform (ALP) in providing unattended analysis of thousands of DNA samples a day (Fig. 9). RZPD needs to provide clonebased resources (e.g., cDNAs, proteins and siRNAs), which are indispensable for genome research, explained Maercker. Until the 5100 ALP became available, each product had to be checked by gel analysis. This was a rate-limiting step because RZPD could process a maximum of only 400 samples a day as the gels had to be analyzed laboriously by eye.
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With the 5100 ALP, RZPD has achieved high-throughput analysis of 800 samples a day of DNA fragments. The whole process of sample loading and analysis has been automated. Maercker strongly recommends the 5100 ALP for the high-throughput analysis of PCR fragments, and looks forward to the possibility of extending its use to DNA fragments up to 12 kb, proteins and RNA. Contact: Claudia Hachter Agilent Technologies Tel.: +49 7243 602 100. E-mail: claudia_hachtel@agilent. com
HTT Roadmap shows UK the way ahead The InsightFaraday Partnership has made available a technology roadmap for high-throughput technolo-
gies (HTTs) on-line to provide UK industry with a step-by-step, comprehensive overview of the tools and techniques, benefits and barriers associated with HTT. “Our technology roadmap is a unique framework for quantifying the value of HTT to the UK”, said InsightFaraday Director Steve Fletcher. “Taking as our starting point the current status of HTT in the UK, we are aiming to create a dynamic resource – now on-line – to be reviewed and updated regularly to optimize the exploitation of HTT by industry, academe and society as a whole. We believe the roadmap will become a vital reference tool for companies in a wide range of sectors, enabling them to minimize the risks and costs arising from knowledge gaps in HTT”. InsightFaraday aims to make HTT an integral part of new product and process development, leading to reductions in “time to market” for industry.
Figure 9. Analysis of PCR products generated with gene-specific primers. In the results table, all the PCR products listed have been analyzed with the ALP 5100 during this run. One sample has been selected for a detailed report. The electropherogram shows size (269 bp) and concentration (45.2 ng/ll) of a single DNA band, which is flanked by the control peaks of the lower and the upper markers. (Courtesy, C. Maercker, RZPD).
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“The roadmap is industry driven, covering every aspect of HTT, from synthesis and catalysis, through to process engineering”, said Fletcher. “Much of the content is based on
information gained from three major consultation events, as well as multiple company visits, but it also incorporates important and significant input from academics”.
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Contact: Steve Fletcher InsightFaraday Partnership E-mail: [email protected] Website: www.insightfaraday.org
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