Search results for "Spectrometry"
showing 10 items of 3206 documents
Chemical characterization of iron in atmospheric aerosols
1992
Abstract The total Fe content, the soluble fractions of Fe(II) and Fe(III), and several species of Fe were determined in various atmospheric aerosol samples by means of atomic absorption spectrometry, ion chromatography and Mossbauer spectrometry.
Detection and characterization of emerging psychoactive substances by ion mobility spectrometry
2014
Rapid detection and identification of novel psychoactive substances (NPS) continues to present significant analytical challenges to forensic and analytical chemists. Ion mobility spectrometry (IMS) has been traditionally considered as the analytical technique of choice to detect illicit drugs in security points in airports, borderlines and customs. Databases of the reduced mobility (K0 ) values of illicit drugs are available in the scientific literature and they should be completed with data of emerging designer drugs. In this paper, we have evaluated the effect of different measurement conditions and determined the K0 values of an important number of NPS including different families; such …
Chemometric extraction of analyte-specific chromatograms in on-line gradient LC-infrared spectrometry
2009
This work exploits the possibilities offered by the recently developed multivariate method named Science-Based Calibration (SBC), for the extraction of ‘analyte-specific’ chromatograms in on-line gradient reversed phase LC-infrared spectrometry (IR) in the presence of a high spectral and chromatographic overlapping between the analyte of interest, co-eluting sample matrix constituents and the mobile phase components. The SBC method uses an experimentally measured single response spectrum of the analyte of interest and representative noise to calculate an optimum regression vector (bopt(1)). Then, the bopt(1) vector is used to predict the concentration of the analyte of interest in the spect…
Recent advances in on-line liquid chromatography - infrared spectrometry (LC-IR)
2010
We review advances in isocratic and gradient liquid chromatography hyphenated on-line with infrared spectrometry (LC-IR). We place special emphasis on chemometric background correction and other applications of chemometric algorithms used to improve the sensitivity and the resolution of LC-IR signals. We also comment on recent technical advances, (e.g., dedicated flow-cells and new light sources) and review applications in the technological, cosmetics, environmental and food sectors.
On-line gradient liquid chromatography–Fourier transform infrared spectrometry determination of sugars in beverages using chemometric background corr…
2008
Abstract An on-line gradient reversed phase liquid chromatography–Fourier transform infrared spectrometry (LC–FTIR) method was developed for the determination of fructose, glucose, sucrose and maltose in beverages. Improved chromatographic resolution was obtained using a linear gradient from 75 to 55% (v/v) acetonitrile in water in 15 min. Changes in the background spectra were corrected employing “univariate background correction based on the use of a reference spectra matrix” (UBC-RSM) and using the ratio of absorbance (AR) at 2256 and 2253 cm −1 for the identification of the eluent spectra within the RSM. The method provided limits of detection in the order of 0.75 mg ml −1 . The precisi…
Advanced Mass Spectrometry
2015
Abstract Until recently, analytical methods for food safety and quality control had mainly been focused on restricted lists of well-known analytes. Nowadays, in addition to these classical methods, comprehensive analysis attains authentication as well as the detection of hazardous or safety-relevant manipulations and violations of the laws (e.g., addition of nonauthorized substances or application of technological processes prohibited is of urgent need in food control). This chapter shows that high resolution mass spectrometry (HRMS) associated with the data mining tools developed for metabolomics can address this issue by enabling (1) targeted analyses, (2) detection of untargeted and unkn…
Molecular Characterization and Source Identification of Atmospheric Particulate Organosulfates Using Ultrahigh Resolution Mass Spectrometry.
2019
Organosulfates (OSs) have been observed as substantial constituents of atmospheric organic aerosol (OA) in a wide range of environments; however, the chemical composition, sources, and formation mechanism of OSs are still not well understood. In this study, we first created an "OS precursor map" based on the elemental composition of previous OS chamber experiments. Then, according to this "OS precursor map", we estimated the possible sources and molecular structures of OSs in atmospheric PM2.5 (particles with aerodynamic diameter ≤ 2.5 μm) samples, which were collected in urban areas of Beijing (China) and Mainz (Germany) and analyzed by ultrahigh-performance liquid chromatography (UHPLC) c…
Absolute optical chiral analysis using cavity-enhanced polarimetry
2021
Chiral analysis is central for scientific advancement in the fields of chemistry, biology, and medicine. It is also indispensable in the development and quality control of chiral compounds in the chemical and pharmaceutical industries. Current methods for chiral analysis, namely optical polarimetry, mass spectrometry and nuclear magnetic resonance, are either insensitive, have low time resolution, or require preparation steps, and so are unsuited for monitoring chiral dynamics within complex environments: the current need of both research and industry. Here we present the concept of absolute optical chiral analysis, as enabled by cavity-enhanced polarimetry, which allows for accurate unambi…
Is multidimensional high performance liquid chromatography (HPLC) an alternative in protein analysis to 2D gel electrophoresis?
2000
The interactive modes of High Performance Liquid Chromatography (HPLC) of proteins provide a platform for the construction of a multidimensional HPLC system coupled to mass spectrometry. We present a system composed of both anion and cation exchanger columns, in the first dimension, and n-octadecyl bonded 1.5 μm nonporous silica columns in the second dimension. Both columns are operated under gradient conditions. A system suitability test with standard proteins showed that the total analysis can be performed within about 20 minutes. The fractions taken from the ion exchanger column are directly analyzed within one minute on the reversed phase column at a high flow rate. Two reversed phase c…
Ionization Energies of ClO and Cl2O2
1996
The ionization energies of chlorine oxide (ClO) and its dimer (Cl2O2) have been measured using monochromatic synchrotron radiation in the 10−20 eV energy regime in combination with photoionization mass spectrometry. The threshold energy of ClO+ (m/z = 51) is found at 10.85 ± 0.05 eV, whereas the ionization threshold of Cl2O2+ (m/z = 102) occurs at 11.05 ± 0.05 eV. The experimental values are compared to results from ab initio calculations, where three stable isomers of Cl2O2 are considered: dichlorine peroxide (ClOOCl), chloryl chloride (ClClO2), and chlorine chlorite (ClOClO). The results indicate that the experimental threshold energy of Cl2O2+ is due to adiabatic ionization of ClOOCl. T…