AntDAS-GCMS: A New Comprehensive Data Analysis Platform for GC-MS-Based Untargeted Metabolomics with the Advantage of Addressing the Time Shift Problem.

Over the years, a number of state-of-the-art data analysis tools have been developed to provide a comprehensive analysis of data collected from gas chromatography-mass spectrometry (GC-MS). Unfortunately, the time shift problem remains unsolved in these tools. Here, we developed a novel comprehensive data analysis strategy for GC-MS-based untargeted metabolomics (AntDAS-GCMS) to perform total ion chromatogram peak detection, peak resolution, time shift correction, component registration, statistical analysis, and compound identification.

Using UHPLC-HRMS-based comprehensive strategy to efficiently and accurately screen and identify illegal additives in health-care foods.

Accurately and high-thoroughly screening illegal additives in health-care foods continues to be a challenging task in routine analysis for the ultrahigh performance liquid chromatography-high resolution mass spectrometry based techniques. In this work, we proposed a new strategy to identify additives in complex food matrices, which consists of both experimental design and advanced chemometric data analysis. At first, reliable features in the analyzed samples were screened based on a simple but efficient sample weighting design, and those related to illegal additives were screened with robust statistical analysis.

Identification of Oak-Barrel and Stainless Steel Tanks with Oak Chips Aged Wines in Ningxia Based on Three-Dimensional Fluorescence Spectroscopy Combined with Chemometrics.

With the increased incidence of wine fraud, a fast and reliable method for wine certification has become a necessary prerequisite for the vigorous development of the global wine industry. In this study, a classification strategy based on three-dimensional fluorescence spectroscopy combined with chemometrics was proposed for oak-barrel and stainless steel tanks with oak chips aged wines. Principal component analysis (PCA), partial least squares analysis (PLS-DA), and Fisher discriminant analysis (FDA) were used to distinguish and evaluate the data matrix of the three-dimensional fluorescence spectra of wines.

A comparison of feature extraction capabilities of advanced UHPLC-HRMS data analysis tools in plant metabolomics.

Data analysis of ultrahigh performance liquid chromatography-high resolution mass spectrometry (UHPLC-HRMS) is an essential and time-consuming step in plant metabolomics and feature extraction is the fundamental step for current tools. Various methods lead to different feature extraction results in practical applications, which may puzzle users for selecting adequate data analysis tools to deal with collected data. In this work, we provide a comprehensive method evaluation for some advanced UHPLC-HRMS data analysis tools in plant metabolomics, including MS-DIAL, XCMS, MZmine, AntDAS, Progenesis QI, and Compound Discoverer.

A study of flavor variations during the flaxseed roasting procedure by developed real-time SPME GC-MS coupled with chemometrics.

Volatile compound variations during the roasting procedure play an essential role in the flaxseed-related product. In this work, we proposed a new strategy to high-throughput characterize the dynamic variations of flavors in flaxseed. Volatile compounds released at various roasting times were comprehensively investigated by a newly developed real-time solid-phase microextraction coupled with gas chromatography-mass spectrometry (GC-MS).

Association of infection with increased risk of asthma in children.

The present study was conducted to investigate the relationship between (MP) infection and the risk of asthma among children by detecting the rate of MP immunoglobulin M (MP-IgM) and the eosinophil (EOS) count. A total of 139 asthmatic children were enrolled as the case group and assigned into three groups: Group A (aged <3 years, n=42), group B (aged 3-8 years, n=45) and group C (aged >8 years, n=52). Additionally, 115 healthy children were enrolled in the control group.

Correlation of red cell distribution width with the severity of coronary artery disease: a large Chinese cohort study from a single center.

Background: It has been reported that increased red blood cell width (RDW) is a marker associated with the presence and adverse outcomes of various cardiovascular diseases. The aim of the present study was prospectively evaluate the severity of coronary artery disease (CAD) and RDW in a large Chinese cohort.

Methods: A total of 677 consecutive individuals who underwent coronary angiography due to the presence of angina-like chest pain and/or positive treadmill exercise test were enrolled in this study.

Evaluation of red blood cell distribution width in patients with cardiac syndrome X.

Background: Cardiac syndrome X (CSX) is a condition characterized by chest pain with normal coronary arteries. However, its pathogenesis has not fully been understood yet. Red blood cell distribution width (RDW) has recently been suggested as a marker of acute and chronic cardiovascular diseases, while no data is available in patients with CSX.