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Magritek has introduced the Spinsolve Phosphorus, the first 31P capable benchtop NMR spectroscopy system.

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The Tony Davies column is a joint effort by Tony (A.N.) Davies, Mohan Cashyap, Bob Lancashire and Bob Hanson on “Exploring distributed, multi-server 1H NMR prediction”. This is the second part of the column’s investigation into the use of cloud-based services in the analytical arena. It describes a web page linking services from multiple sites on both sides of the Atlantic to deliver molecular structure drawing, 3D structure representation, name to structure conversion and display of data generated by linking chemical structures to 1H NMR prediction. May I reiterate Tony and Mohan’s plea for information on such cloud-based solutions, whether commercial or not. These can be sent to me (ian@impublications.com) and I will pass them on.

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Mathieu Duval raises the question “Dating fossil teeth by electron paramagnetic resonance: how is that possible?”. Whilst we are all familiar with 14C dating, the use of EPR is less well known. In fact, there are less than 10 laboratories in the world able to carry out EPR dating of fossil teeth!

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Tony (A.N.) Davies is getting excited by GHz NMR. These new high fields offer tantalising new areas of research but at a cost that generally requires their purchase by Government-funded centres of excellence. He argues that continued funding of such projects is essential, especially in difficult economic times.

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Many analytical methods have been used to control the quality, authenticity and origin of fresh fruit. NMR methodologies yield a comprehensive metabolic profile, provide direct structural information regarding individual metabolites in the mixture and also give information regarding the water state in the tissue. This is useful in discriminating various fruits varieties, in investigating nutritional properties, in monitoring the development of the fruit and in assessing the optimum harvesting time.

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Peter Jenks has discovered quantitative NMR. in his article titled “NMR: is it the future for the analysis of organic molecules?”. If only it wasn’t so expensive, it might be the perfect method to certify pure organic compounds.

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The Winescreener, a high-performance FT-NMR-based screening system that delivers rapid and cost-effective quantitative targeted and non-targeted statistical analyses of wine, is now available from Bruker. The system features a large number of parameters delivered within a single, completely automated, push-button analysis with minimal sample preparation. Quantification of 25 relevant components is delivered on one measurement and, in addition, both quality and safety are assessed by non-targeted screening. The transferability of the method, based on standard operation procedures, guarantees identical results across different analysis laboratories and, due to its self-learning nature, the solution will further increase its capabilities as new wine analyses are integrated on a global basis.

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Benchtop NMR spectrometer that provides identical spectra to standard NMR spectrometers yet weighs only 10½ pounds and costs in the region of US$25,000. Sample volume is 20 µL and the spectrometer is controlled via a web browser. Data can be downloaded for use in any standalone software package.

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NMR-based system to measure the influence of additives such as surfactants and dispersants on the particle–liquid interface of nanoparticle dispersants. It can also monitor other changes at the particle–liquid interface such as flocculation.

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An affordable electron magnetic resonance system, occupying minimal bench space, which does not require large magnets or cooling systems. Designed for the academic market, it will be offered with a curriculum package for teaching professionals to bring the technique back into laboratories with a modular programme backed with online and written documentation.

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A new software tool that provides routine NMR users with seamless support in their daily workflow of spectral interpretation. Assigning the NMR signals to structural characteristics, the software conducts a structural consistency assessment and provides spectral analysis. These results are collected in compact reports to enable easy transfer of information.

Tony (A.N.) Davies is after your advice in his latest column “Your committee needs you!”. The IUPAC Subcommittee on Electronic Data Standards is keen to learn about areas where you would like to see improvements in moving your data between your analytical instruments and data analysis and reporting packages.

Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful analytical tools used to probe details of molecular structure and dynamics. It requires very high magnetic fields and, hence, generally uses extremely large, powerful magnets. The advent of small, powerful magnets has allowed much less expensive low resolution NMR instrumentation to be designed, making it feasible to measure commercially important characteristics of dispersion behaviour and performance, including the wetted surface area of particulate suspensions and emulsion droplet size. An important additional practical application is the ability to determine competitive adsorption and/or displacement of polymers and surfactants at interfaces. This article presents a brief overview of these new approaches together with an example of each measurement.

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Chemists at the Karlsruhe Institute of Technology (KIT) and the Technische Universität München (TUM) in Germany have introduced an improvement on nuclear magnetic resonance (NMR) measurements for identifying chemical compounds.

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1H NMR spectra are usually interpreted by hand, which is very time consuming, and can become a process bottleneck in fields such as high-throughput NMR. Greater automation of the spectral analysis process has become essential if NMR is to be of value as a high-throughput analytical method in the future.

Metabolic profiling of tissue samples could transform the way surgeons make decisions in the operating theatre, say researchers at a new laboratory. Scientists at Imperial College London, in partnership with clinicians at Imperial College Healthcare NHS Trust, have installed a high resolution solid state nuclear magnetic resonance (NMR) spectrometer in St Mary’s Hospital. Researchers will use the machine to analyse intact tissue samples from patients taking part in studies, to investigate whether it can ultimately give surgeons detailed diagnostic information while their patients are under the knife.

Dirk Lachenmeier, Marina Gary, Yulia Monakhova, Thomas Kuballa and Gerd Mildau describe “Rapid NMR screening of total aldehydes to detect oxidative rancidity in vegetable oils and decorative cosmetics”. Lipid oxidation produces rancid products, which are both unpleasant and potentially toxic. The authors describe the use of NMR to screen food and cosmetic products. Whilst, vegetable oils were generally found to be in good condition, German women may wish to be careful of their lipstick, especially if they have had kept it for a while!

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UK researchers will gain new insights into vital high tech engineering materials and novel pharmaceuticals thanks to the creation of the UK’s most powerful NMR device for solids now sited in a national research facility in the University of Warwick’s Centre for Magnetic Resonance.

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