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Journal Highlight: UV/Vis spectroscopy combined with chemometrics for monitoring solid-state fermentation with Rhizopus microsporus var. oligosporus

Date: Apr 17, 2017

Author: spectroscopyNOW

Partial least squares and artificial neural network models have been presented for inferring protease and amylase activities from UV–vis spectra of samples removed during solid-state fermentation using Rhizopus microsporus var. oligosporus.

Read More thumbnail image: Journal Highlight UVVis spectroscopy combined with chemometrics for monitoring solid-state fermentation with Rhizopus microsporus var_ oligosporus

Biodiesel analysis: Biofuel blend by NMR spectroscopy

Date: Apr 15, 2017

Author: David Bradley

A new quantitative method of analysing the biodiesel in a diesel-biodiesel blend using proton nuclear magnetic resonance (NMR) spectroscopy has been developed by researchers in Brazil. The resulting spectra are subjected to a univariate calibration in which the integrals of the spectra are considered. Statistical comparison with infrared (IR) spectra corroborate the findings.

Read More thumbnail image: Biodiesel analysis Biofuel blend by NMR spectroscopy

New MOGO optimisation algorithm wins at Monte Carlo

Date: Apr 2, 2017

Author: Ryan De Vooght-Johnson

Optimisation of conflicting objectives, such as yield and purity, has long been a problem in process optimisation. Researchers from the Forschungszentrum Jülich in Germany have developed an improved optimisation algorithm, MOGO, which they applied to the simulated separation of a protein by ion-exchange chromatography.

Read More thumbnail image: New MOGO optimisation algorithm wins at Monte Carlo

Journal Highlight: Classification of lignocellulosic biomass by weighted-covariance factor fuzzy C-means clustering of mid-infrared and near-infrared spectra

Date: Mar 20, 2017

Author: spectroscopyNOW

A weighted-covariance factor fuzzy C-means clustering method combined with bootstrapping has been proposed for analysing the mid-IR and near-IR spectra of small samples of biomass.

Read More thumbnail image: Journal Highlight Classification of lignocellulosic biomass by weighted-covariance factor fuzzy C-means clustering of mid-infrared and near-infrared spectra

Catching makers of crystal meth by chemometrics

Date: Mar 15, 2017

Author: Ryan De Vooght-Johnson

Identifying impurities in the illegal drug N-methylamphetamine, a.k.a. methamphetamine or crystal meth, can help law enforcement agencies detect the likely source and the synthetic route used. Scientists from the Chemistry and Chemical Engineering Research Centre of Iran used chemometric methods to detect trace impurities hidden under the large main peak in pure samples of seized methamphetamine.

Read More thumbnail image: Catching makers of crystal meth by chemometrics

Heavy metal from cars: Statistical analyses of spectra

Date: Mar 15, 2017

Author: David Bradley

Multivariate statistical techniques, principal component analysis (PCA), and hierarchical cluster analysis have been used to process data on metal pollutants in a densely populated city based on atomic absorption spectra.

Read More thumbnail image: Heavy metal from cars Statistical analyses of spectra

Fab separations for Fab antibodies predicted by QSAR?

Date: Mar 1, 2017

Author: Ryan De Vooght-Johnson

Since an increasing array of separation methods are now used for proteins, interest is growing in using computational methods, such as quantitative structure–activity relationship (QSAR) calculations, to predict the likely response of proteins of interest to different systems, so that separations can be predicted. Researchers have used QSAR to predict the response of various antibody Fragment antigen-binding (Fab) fragments in different separation systems, with varying degrees of success.

Read More thumbnail image: Fab separations for Fab antibodies predicted by QSAR

Superhard: Calculating a nitrogen fix

Date: Feb 15, 2017

Author: David Bradley

An international team has used chemical computation to predict the existence of a novel superhard material that also has unusual electrical properties.

Read More thumbnail image: Superhard Calculating a nitrogen fix

Supercritical chromatography and chemometrics capture cannabis compounds

Date: Feb 15, 2017

Author: Ryan De Vooght-Johnson

Cannabis is a popular illegal drug, but is also increasingly used for medicinal purposes. A new, rapid UHPSFC method for determining the different compounds in cannabis has been developed by a team from the University of Mississippi, who went on to group different cannabis samples using chemometric methods.

Read More thumbnail image: Supercritical chromatography and chemometrics capture cannabis compounds

Journal Highlight: Variable clustering and spectral angle mapper-orthogonal projection method for Raman mapping of compound detection in tablets

Date: Feb 13, 2017

Author: spectroscopyNOW

Raman mapping and a variable clustering approach have been used to accurately characterize the composition of tablets with multiple components.

Read More thumbnail image: Journal Highlight Variable clustering and spectral angle mapper-orthogonal projection method for Raman mapping of compound detection in tablets
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