A head in the clouds?—Part two: exploring distributed, multi-server 1H NMR prediction

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 ( This e-mail address is being protected from spambots. You need JavaScript enabled to view it ) and I will pass them on.

Read more: A head in the clouds?—Part two: exploring distributed, multi-server 1H NMR prediction

 

Into the future: changes to ISO 17025 and ISO Guide 34

In the Quality Matters column, Peter Jenks and John Hammond look “Into the future: changes to ISO 17025 and ISO Guide 34”. There is a lot happening at present around ISO/IEC 17025 and ISO Guide 34, which together provide the framework for the development and use of certified reference materials in analytical laboratories around the world. John reports from the recent 37th meeting of the Reference Material Committee of ISO (ISO/REMCO) and provides an update on the topic of “commutability”.

Read more: Into the future: changes to ISO 17025 and ISO Guide 34

 

Matrix–assisted laser desorption ionisation tandem mass spectrometry imaging of small molecules from latent fingermarks

Robert Bradshaw and Simona Francese tell us about “Matrix–assisted laser desorption ionisation tandem mass spectrometry imaging of small molecules from latent fingermarks“. Especially when looking at small molecules in fingermarks, isobaric species can be a problem and this has the potential to affect the outcome of any court case if not handled appropriately. Tandem mass spectrometry can be used as an alternative to high-resolution MS and ion mobility.

Read more: Matrix–assisted laser desorption ionisation tandem mass spectrometry imaging of small molecules from latent fingermarks

   

Orthogonal spectroscopic techniques for the early developability assessment of therapeutic protein candidates

Orthogonal spectroscopic techniques for the early developability assessment of therapeutic protein candidates” are described by Patrick Garidel, Anne Karow and Michaela Blech. Due to its cost and time implications, in the early development phase of drug discovery the use of  othogonal techniques, based on different physical observables, is important for correct decision-making.

Read more: Orthogonal spectroscopic techniques for the early developability assessment of therapeutic protein candidates

 

Quantum cascade laser-based mid-infrared spectrochemical imaging of tissues and biofluids

Graeme Clemens, Benjamin Bird, Miles Weida, Jeremy Rowlette and Matt Baker consider “Quantum cascade laser-based mid-infrared spectrochemical imaging of tissues and biofluids”. Mid-infrared spectroscopic imaging has been applied to many biological problems and even has the potential to improve cancer patient outcome. The use quantum cascade lasers simplifies the instrument and allows for the use of detectors that do not require cryogenic cooling. They demonstrate applications on tissue and biological fluids.

Read more: Quantum cascade laser-based mid-infrared spectrochemical imaging of tissues and biofluids

   

Shedding light on plant biology by Fourier transform infrared spectroscopy of pollen

Shedding light on plant ­biology by Fourier transform infrared ­spectroscopy of pollen” by Boris Zimmermann and Achim Kohler. Currently, pollen identification is mostly done under a light microscope. FT-IR spectroscopy of pollen grains provides rapid and simple identification of pollen, with the added benefit of providing environmental information.

Read more: Shedding light on plant biology by Fourier transform infrared spectroscopy of pollen

 

The last furlong (5). Classification and identity testing

Tony (A.M.C.) Davies continues on his last furlong, this time considering “Classification and identity testing”. As well as some interesting insights into the analytical lab in the late 1960s, he gives his opinion on various chemometric techniques and on identity testing, as well as thoughts on future development.

Read more: The last furlong (5). Classification and identity testing

   

Have you the time for another conference?

Peter Jenks is off to a conference. He describes the history of the Biological and Environmental Reference Materials (BERM) series of conferences and concludes that they still are important for all of us 30 years after their start. He urges you to attend the next, in October 2015 in the USA.

Read more: Have you the time for another conference?

 

Broadband photon time-of-flight spectroscopy as a prospective tool in biomedicine and industrial process and quality control

The analysis of turbid samples is increasingly important, not least due to their widespread occurrence in natural samples. Dmitry Khoptyar, Sören Johansson, Staffan Strömblad and Stefan Andersson-Engels show “Broadband photon time-of-flight spectroscopy as a prospective tool in biomedicine and industrial process and quality control”. The authors describe their recent development of a broadband spectrometer for evaluation of absorption and scattering spectra of very diverse turbid materials in the visible and close-near infrared (NIR) regions and its application with milk, cheese and paper samples.

Read more: Broadband photon time-of-flight spectroscopy as a prospective tool in biomedicine and industrial process and quality control

   

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