Analytical Instrument Documents

Dedicated SIM/SRM data quantitative analysis software for Dioxins.

Chenometrics is a discipline that utilizes data mining techniques, including dimensionality reduction, discrimination, visualization, and regression, to extract information from extensive sets of experimental analytical data. NMR spectroscopy, a highly quantitative and reproducible technique, allows for non-invasive analysis of chemical species with minimal sample preparation. This is particularly advantageous for data mining, as NMR spectra, including series of 1H NMR spectra of biological samples, are commonly employed as input for multivariate analysis by converting series of 1D NMR spectra into a matrix. The 'Chemospec' package in the R language for statistical computing serves as the engine for multivariate analysis. When the 'Chempspec' package is installed, the Delta software offers a seamless user interface for exploratory multivariate analysis.

Pulsed-Field Gradient Nuclear Magnetic Resonance (PFG-NMR) is utilized to analyze the self-diffusion of molecules and ions. The self-diffusion coefficient (D) in PFG-NMR is determined by recording the decay of signal intensity through a series of experiments using either Pulsed Gradient Spin Echo (PGSE) or Pulsed Gradient Stimulated Echo (PGSTE) sequences with varying gradient strengths (G). The decay of signal intensity is subsequently analyzed using curve fitting or inverse Laplace transformation methods. The Delta NMR software provides a curve analysis tool that supports the fitting of PFG-NMR data. Versions 5.3.3 and earlier of the Delta NMR software support curve fitting using a model that assumes a single self-diffusion coefficient contributing to the decay. However, starting from the Delta NMR software version 6.0 and onwards, there is support for curve fitting using the "Diffusion Analysis Multi" feature. This feature enables the analysis to account for multiple self-diffusion coefficients during the curve fitting process.

Pulsed-Field Gradient NMR (PFG-NMR) is utilized for analyzing the self-diffusion of molecules and ions, which are commonly referred to as 'particles' in this context. The translation of particles by thermal convection significantly impacts the decay curve in PFG-NMR experiments, particularly when dealing with solution and liquid samples. In cases where the convection-induced translation is substantial, the decay curve exhibits a cosine-like behavior, leading to an apparent increase in the self-diffusion coefficient compared to the actual value. Additionally, the decay curves may become distorted, occasionally resulting in the appearance of signals in negative phase. To address this convection artifact in PFG-NMR, Double Stimulated Echo (DSTE) experiments are specifically designed and employed.

Boroxine cages are nanometer-sized covalent cage-like molecules that utilize beroxine formation reactions. Such molecular-sized hollow structures can contain other molecules. Encapsulated molecules sometimes change their properties significantly, and various applications using them are being investigated. One of the methods for confirming the synthesis of boroxine cages is mass spectrometry, and MALDI-TOFMS is suitable because it can ionize a wide range of compounds mainly as single-charge ions. The JMS-S3000 SpiralTOF™ achieves a long flight distance of 17 m due to its unique spiral ion trajectory, and can measure low-molecular-weight compounds ionized by the MALDI method with high mass resolution and high mass accuracy. In this report, we report the accurate mass measurement of the boroxine caged 12-mer.

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometers (MALDI-TOFMS) is a powerful tool in the analysis of polymers. High-resolution MALDI-TOFMS facilitates the identification of polymer series by the elemental composition of repeating units and end groups, and allows the calculation of the molecular weight distribution of polymers from the ionic intensity distribution. In actual industrial material analysis, mixtures of polymers with different molecular weight disributions and end groups are analyzed.

Phospholipids are one of the major components of egg yolk. In this study, we extracted phospholipids from the egg yolk and tried to analyze their structures with the TOF-TOF option of the JMS-S3000 SpiralTOF.

A comparison of electron ionization and soft ionization methods for GC-MS applications Chemical Ionization (CI) Photoionization (PI) Field Ionization (FI)

In this MSTips, thermal desorption GC/MS measurements of a commercial antibacterial lunch box product are performed and the integrated qualitative analysis results are reported using msFineAnalysis iQ.

In this MSTips, GC/MS measurements of water-based inks for commercial inkjet printers are performed, and the results of integrated qualitative analysis of the obtained measurement data using msFineAnalysis iQ are reported.