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Weighing up ways of working out log P

Date: Jul 15, 2017

Author: Ryan De Vooght-Johnson

Lipophilicity is a key parameter affecting the activity of potential drug molecules, but there are many methods to calculate it. Scientists from the University of Belgrade examined various techniques for calculating the lipophilicity of a number of benzothiepino[3,2-c]pyridine derivatives, which were potential antifungal drugs.

Read More thumbnail image: Weighing up ways of working out log P

Journal Highlight: Synergetic use of principal component analysis applied to normed physicochemical measurements and GC × GC-MS to reveal the stabilization effect of selected essential oils on heated rapeseed oil

Date: Jul 10, 2017

Author: separationsNOW

The potential antioxidant effect of corainder and nutmeg essential oils on the thermal stability of rapeseed oil was determined by GCxGC/MS with PCA.

Read More thumbnail image: Journal Highlight Synergetic use of principal component analysis applied to normed physicochemical measurements and GC  GC-MS to reveal the stabilization effect of selected essential oils on heated rapeseed oil

DEREK peers at plethora of products in rat urine

Date: Jul 1, 2017

Author: Ryan De Vooght-Johnson

Fluvastatin is a commonly used statin compound, so it is important to carefully study its metabolites. Researchers based at the National Institutes of Pharmaceutical Education and Research in Hyderabad and S.A.S Nagar examined the metabolites of fluvastatin formed in vivo by rats, along with those formed in vitro by human or rat liver microsomes, using UHPLC-MS/MS. They subsequently ran in silico toxicity studies on these compounds.

Read More thumbnail image: DEREK peers at plethora of products in rat urine

From heartbreak to happiness with in-house MS database

Date: Jun 15, 2017

Author: Ryan De Vooght-Johnson

Gelsemium elegans is a toxic plant of interest for its possible medical uses. Scientists from Hunan Agricultural University in China used a combination of LC-MS/MS and an in-house database of the accurate masses of previously detected Gelsemium compounds to tentatively identify a wide range of the many components in a crude extract from the plant.

Read More thumbnail image: From heartbreak to happiness with in-house MS database

Journal Highlight: Essential-oil inspired synthetic libraries: synthesis, spectral and gas-chromatographic properties of new fenchyl esters

Date: Jun 5, 2017

Author: separationsNOW

The design, synthesis, and GC and NMR spectral characterization of a library of 32 endo- and exo-fenchyl esters have been described in work which will facilitate future essential oil analyses, especially those involving minor constituents.

Read More thumbnail image: Journal Highlight Essential-oil inspired synthetic libraries synthesis spectral and gas-chromatographic properties of new fenchyl esters

Viagra cheats exposed by TLC

Date: Jun 1, 2017

Author: Ryan De Vooght-Johnson

Health supplements in some countries are frequently adulterated with PDE5 inhibitors, such as sildenafil (Viagra) or unapproved analogues. Researchers from Tianjin University of Science and Technology in China used a combination of TLC and Raman spectroscopy for the rapid identification of these pharmaceutical products in supplement samples.

Read More thumbnail image: Viagra cheats exposed by TLC

Slim chance of purity with internet herbal weight loss products

Date: May 15, 2017

Author: Ryan De Vooght-Johnson

So-called ‘herbal’ slimming aids are often adulterated with banned slimming drugs or other chemicals, to increase their effectiveness. Researchers at the Scientific Institute of Public Health in Brussels and the University of Antwerp examined several different samples of such products by UHPLC, classifying them using various chemometric methods, such as hierarchical cluster analysis (HCA), Classification and Regression Tree (CART), and partial least squares discriminant analysis (PLS-DA).

Read More thumbnail image: Slim chance of purity with internet herbal weight loss products

Journal Highlight: Identification of four cornua by ultra-performance liquid chromatography with time-of-flight mass spectrometry coupled with principal component analysis

Date: May 8, 2017

Author: separationsNOW

An LC/MS method supported by principal components analysis has been developed for the identification of Cornu Antelopis, Cornu Bubali, Cornu Naemorhedi, and Cornu Bovis.

Read More thumbnail image: Journal Highlight Identification of four cornua by ultra-performance liquid chromatography with time-of-flight mass spectrometry coupled with principal component analysis

SPME optimisation hits the sweet spot for sugar cane spirits

Date: May 1, 2017

Author: Ryan De Vooght-Johnson

It is important to be able to analyse the many volatile compounds in sugar cane spirit, since they are responsible for its flavour. Researchers at the Federal University of Lavras and the Federal University of the Jequitinhonha and Mucuri Valleys in Brazil optimised the extraction of these compounds by SPME, prior to GC-MS, using a central composite experimental design.

Read More thumbnail image: SPME optimisation hits the sweet spot for sugar cane spirits

UHPLC and Chemometrics Tease out Teasel’s Active Compounds

Date: Apr 17, 2017

Author: Ryan De Vooght-Johnson

Dipsacus apser, or Japanese teasel, is commonly used in Chinese herbal medicine, often after rinsing with wine and then boiling with water. Researchers from Nanjing University of Chinese Medicine compared the differences between the composition of the raw herb and wine-processed material, using UHPLC-MS/MS and the chemometric methods PCA, HCA and PLS-DA.

Read More thumbnail image: UHPLC and Chemometrics Tease out Teasels Active Compounds
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