The proliferation of increasingly more sophisticated analytical separation systems, often
incorporating increasingly more powerful detection techniques, such as high‐resolution …

Two‐dimensional (2D) liquid‐state NMR has a very high potential to simultaneously
determine the absolute concentration of small molecules in complex mixtures, thanks to its …

Baseline correction methods based on penalized least squares are successfully applied to
various spectral analyses. The methods change the weights iteratively by estimating a …

Baseline drift always blurs or even swamps signals and deteriorates analytical results,
particularly in multivariate analysis. It is necessary to correct baseline drift to perform further …

Fluorescent background is a major problem in recoding the Raman spectra of many
samples, which swamps or obscures the Raman signals. The background should be …

Chemical shift variation in small-molecule 1H NMR signals of biofluids complicates
biomarker information recovery in metabonomic studies when using multivariate statistical …

Gamma-aminobutyric acid (GABA) and glutamate are implicated in numerous
neuropsychiatric and substance abuse conditions, but their spectral overlap with other …

An algorithm for retrospective correction of frequency and phase offsets in MRS data is
presented. The algorithm, termed robust spectral registration (rSR), contains a set of …

In this paper an overview of time-domain and frequency-domain quantitation methods is
given. Advantages and drawbacks of these two families of quantitation methods are …

Tools for mineral identification based on Raman spectroscopy fall into two groups: those that
are largely based on fits to diagnostic peaks associated with specific phases, and those that …