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Vendor column: If you aren’t controlling your process, your process is controlling you

Date: Nov 29, 2016

Author: Daniel Shiley

This is the fourth and final segment in the series on near-infrared for the mining industry. Development of quantitative data sets was discussed in the previous article. This article will discuss the finished quantitative model as it can be used to optimize mine productivity.

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Whisky all go go: Cheminformatic botanic

Date: Nov 15, 2016

Author: David Bradley

Cheminformatics can be used to process data from headspace mass-spectrometry (HS-MS), mid-infrared (MIR) and UV-Vis spectroscopy and so ascertain the authenticity and origin of Irish, Spanish, Bourbon, Tennessee Whisky and Scotch, according to a study published by researchers from Poland and Spain. Their approach is quick and simple and requires no pre-preparation of samples.

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Journal Highlight: Compression strategies for the chemometric analysis of mass spectrometry imaging data

Date: Nov 14, 2016

Author: spectroscopyNOW

Different compression approaches have been tested to reduce the size of mass spectrometry imaging data to allow the subsequent application of typical chemometric methods for image analysis.

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Scientists reverse engineer the nuts and bolts of medicinal legumes

Date: Nov 14, 2016

Author: Ryan De Vooght-Johnson

Curiosity killed the cat—allegedly—but also allowed Sapiens to flourish. At the heart of humankind’s endless curiosity lies a labyrinth of data, verging on too complex and too vast for humankind to process. In response, scientists have handed their MS/MS data to silicon, to great success.

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Can the opinion of sensory panels be reduced to chemical analyses?

Date: Nov 1, 2016

Author: Ryan De Vooght-Johnson

Researchers in Germany have developed a using GC-MS and olfactometry combined with linear discriminant analysis method to classify samples of virgin rapeseed oil based on sensory qualities. But can this eliminate the need for professional taste testers?

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Vendor Column: Why should I perform calculations within my chromatography data system?

Date: Oct 22, 2016

Author: Chris Stumpf

In the fifth article in this current series, Waters Corporation's Chris Stumpf addresses using a chromatography data system for calculations over a spreadsheet.

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Journal Highlight: Deep sequencing of hepatitis C virus reveals genetic compartmentalization in cerebrospinal fluid from cognitively impaired patients

Date: Oct 17, 2016

Author: spectroscopyNOW

Deep sequencing technologies were used to investigate hepatitis C virus genetic compartmentalization between plasma and cerebrospinal fluid from patients with known levels of fatigue and cognitive impairment.

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Deconvolution of complex spectra outsourced to algorithm

Date: Oct 15, 2016

Author: Ryan De Vooght-Johnson

A new algorithm for spectral deconvolution and xenobiotic identification aids forensic toxicology investigations, uncovering more xenobiotics in blood samples than humans alone.

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Lipstick traces: FTIR calibration

Date: Oct 15, 2016

Author: David Bradley

Lipstick is a widely used cosmetic the world over. However, it is commonly formulated with animal fat, and lard in particular, which does not sit comfortably for some people with particular ethical, moral and religious beliefs. A new approach to extraction and analysis by multivariate calibration of Fourier transform infrared (FTIR) spectroscopy has been demonstrated by researchers in Indonesia.

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Vendor column: Creation of a quantitative data set

Date: Oct 6, 2016

Author: Daniel Shiley

This is the third of a four-part series on chemometric applications for materials analysis. In this article, Dan Shiley from ASD Inc., discusses quantitative prediction models and their application in mineral analysis.

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