An in-depth exploration of the headspace content of Aspergillus niger cultures was performed upon different growth conditions, using a methodology based on advanced multidimensional gas chromatography. This volatile fraction comprises 428 putatively identified compounds distributed over several chemical families, being the major ones hydrocarbons, alcohols, esters, ketones and aldehydes. These ...

In this study, the feasibility of high resolution magic angle spinning (HR MAS) magnetic resonance spectroscopy (MRS) of small tissue biopsies to distinguish between tumor and non-involved adjacent tissue was investigated. With the current methods, delineation of the tumor borders during breast cancer surgery is a challenging task for the surgeon, and a significant number of re-surgeries occur....

PURPOSE Vitreoretinal disorders lack specific biomarkers that define either disease type or response to treatment. We have used NMR-based metabolomic analysis of human vitreous humor to assess the applicability of this approach to the study of ocular disease. METHODS Vitreous samples from patients with a range of vitreoretinal disorders were subjected to high-resolution (1)H-nuclear magnetic ...

Fall prediction in geriatric patients remains challenging because the increased fall risk involves multiple, interrelated factors caused by natural aging and/or pathology. Therefore, we used a multi-factorial statistical approach to model categories of modifiable fall risk factors among geriatric patients to identify fallers with highest sensitivity and specificity with a focus on gait performa...

We aimed to investigate whether metabolomic analysis can discriminate acute respiratory failure due to COPD exacerbation from respiratory failure due to heart failure and pneumonia. Since COPD exacerbation is often overdiagnosed, we focused on those COPD exacerbations that were severe enough to require noninvasive mechanical ventilation. We enrolled stable COPD subjects and patients with acute ...

Fusarium is a common fungal disease in grains that reduces the yield of barley and wheat. In this study, a near infrared reflectance spectroscopic technique was used with a statistical prediction model to rapidly and non-destructively discriminate grain samples contaminated with Fusarium. Reflectance spectra were acquired from hulled barley, naked barley, and wheat samples contaminated with Fus...

This tutorial explains in detail what factorial validity is and how to run its various aspects in PLS. The tutorial is written as a teaching aid for doctoral seminars that may cover PLS and for researchers interested in learning PLS. An annotated example with data is provided as an additional tool to assist the reader in reconstructing the detailed example.

A high-performance liquid chromatographic (HPLC) method was established to analyze 36 Chaihu (Radix Bupleuri) samples collected from three species (Bupleurum chinense DC., B. scorzonerifolium Willd. and B. smithii Wolff.). Addition of trifluoroacetic acid into the mobile phase resulted in fingerprint chromatograms with stable baselines. There were thirty-two characteristic peaks in the standard...

The current US corn grading system accounts for the portion of damaged kernels, measured by timeconsuming and inaccurate visual inspection. Near infrared spectroscopy (NIRS), a non-destructive and fast analytical method, was tested as a tool for discriminating corn kernels with heat and frost damage. Four classification algorithms were utilized: Partial least squares discriminant analysis (PLS-...

Hyperspectral imaging technology was employed to detect slight bruises on Korla pears. The spectral data of 60 bruised samples and 60 normal samples were collected by a hyperspectral imaging system. To select the characteristic wavelengths for detection, several chemometrics methods were used on the raw spectra. Firstly, principal component analysis (PCA) was conducted on the spectra ranging fr...