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Journal Highlight: Chemometrical and molecular methods in olive oil analysis: A review

Date: Dec 10, 2018

Author: spectroscopyNOW

This review presents the multivariate methods that have been used in chemometrics associated with olive‐based product research, including all types of multivariate data such as chemical, molecular, sensory, marketing and cultural.

Read More thumbnail image: Journal Highlight Chemometrical and molecular methods in olive oil analysis A review

Chemometrics of cannabinoids: THC under strain

Date: Nov 15, 2018

Author: David Bradley

 A chemometric approach has demonstrated that many strains of marijuana (Cannabis sativa) have almost identical levels of the psychoactive components tetrahydrocannabinol (THC) and cannabidiol (CBD), despite the urban folklore and street names associated with different "products".

Read More thumbnail image: Chemometrics of cannabinoids THC under strain

Journal Highlight: Moving window partial least squares after orthogonal signal correction as a coupling method for determination of uranium and thorium by ultrasound‐assisted emulsification microextraction

Date: Nov 12, 2018

Author: spectroscopyNOW

A fast, simple, and efficient ultrasound‐assisted emulsification microextraction coupled with orthogonal signal correction‐moving window PLS has been used for the preconcentration and simultaneous spectrophotometric determination of uranium and thorium in water.

Read More thumbnail image: Journal Highlight Moving window partial least squares after orthogonal signal correction as a coupling method for determination of uranium and thorium by ultrasoundassisted emulsification microextraction

Journal Highlight: Alternative data processing techniques for serial NMR experiments

Date: Oct 15, 2018

Author: spectroscopyNOW

The principles of alternative, joint processing of FID signals in NMR spectroscopy have been discussed for accordion spectroscopy, multidimensional decomposition, Radon transform, a combination of compressed sensing and the Laplace transform in the first review on serial NMR data processing approaches.

Read More thumbnail image: Journal Highlight Alternative data processing techniques for serial NMR experiments

Paediatric malnutrion: EHRs offer automated warnings

Date: Oct 15, 2018

Author: David Bradley

Data from electronic health records (EHR) can be used to create an automated screening tool for malnutrition in paediatric hospital inpatients, according to work by a US team of clinicians, dietitians, and researchers.

Read More thumbnail image: Paediatric malnutrion EHRs offer automated warnings

Journal Highlight: Rapid determination of soil classes in soil profiles using vis–NIR spectroscopy and multiple objectives mixed support vector classification

Date: Sep 17, 2018

Author: spectroscopyNOW

The multiple objectives mixed support vector classification method provides a fast objective diagnostic of soil classes for use in soil surveys and can help to update soil databases.

Read More thumbnail image: Journal Highlight Rapid determination of soil classes in soil profiles using visNIR spectroscopy and multiple objectives mixed support vector classification

Coffee time: PARAFAC analysis of HPLC-DAD

Date: Sep 15, 2018

Author: David Bradley

Researchers in Brazil have used various volatile organic solvents to extract components of different types of coffee and used the PARAFAC method with high-performance liquid chromatography (HPLC) diode array data to create metabolomic fingerprints of reference and crossed coffees.

Read More thumbnail image: Coffee time PARAFAC analysis of HPLC-DAD

Journal Highlight: A potential golden age to come – Current tools, recent use cases, and future avenues for de novo sequencing in proteomics

Date: Aug 13, 2018

Author: spectroscopyNOW

An overview is presented of existing de novo peptide sequencing algorithms and software tools ranging from peptide sequencing to sequence‐to‐protein mapping, highlighting limitations of current methods and discussing new directions for a wider acceptance of de novo sequencing in the community.

Read More thumbnail image: Journal Highlight A potential golden age to come  Current tools recent use cases and future avenues for de novo sequencing in proteomics

Toxicity testing: The algorithms have it

Date: Aug 11, 2018

Author: David Bradley

A US study shows that database analysis more reliable than animal testing for toxic chemicals and could lead to computer algorithms replacing standard toxicology tests.

Read More thumbnail image: Toxicity testing The algorithms have it

Autism metabolites: Chemical analysis

Date: Jul 15, 2018

Author: David Bradley

A physiological test for autism spectrum disorder (ASD) was developed in 2017. Now an algorithm that extracts information from an analysis of a person's metabolic profile corroborates the findings and could lead to a new diagnostic approach allowing earlier medical intervention in children suspected of being on the spectrum.

Read More thumbnail image: Autism metabolites Chemical analysis
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