A low-resolution gas-phase FT-IR method for the fast analysis of supercritical CO2-extracted caraway fruit oils has been developed. The limonene/carvone ratio of extraction product was determined within seconds, yielding a coefficient of variation of <5% (n = 10). A selection of experimental parameters is discussed on the basis of the analysis of 52 extracted samples. GC-FID was used as a reference method. A correlation of 0.983 (n = 24) between the two methods was observed. This method is suitable for the analysis of a large number of caraway fruit extracts due to its speed, repeatability, and minimum sample preparation.
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http://dx.doi.org/10.1021/jf010013b | DOI Listing |
J Am Soc Mass Spectrom
January 2025
Dipartimento di Scienze del Suolo, della Pianta e degli Alimenti, Università degli Studi di Bari Aldo Moro, Via G. Amendola 165/a, 70126 Bari, Italy.
Coenzyme Q (CoQ) and closely related compounds with varying isoprenoid tail lengths (CoQ, = 6-9) are biochemical cofactors involved in many physiological processes, playing important roles in cellular respiration and energy production. Liquid chromatography (LC) coupled with single or tandem mass spectrometry (MS) using electrospray (ESI) or atmospheric pressure chemical ionization (APCI) is considered the gold standard for the identification and quantification of CoQ in food and biological samples. However, the characteristic fragmentation exhibited by the CoQ radical anion ([M], / 862.
View Article and Find Full Text PDFAnal Chem
May 2024
Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States.
Accurate structural determination of proteins is critical to understanding their biological functions and the impact of structural disruption on disease progression. Gas-phase cross-linking mass spectrometry (XL-MS) via ion/ion reactions between multiply charged protein cations and singly charged cross-linker anions has previously been developed to obtain low-resolution structural information on proteins. This method significantly shortens experimental time relative to conventional solution-phase XL-MS but has several technical limitations: (1) the singly deprotonated -hydroxysulfosuccinimide (sulfo-NHS)-based cross-linker anions are restricted to attachment at neutral amine groups of basic amino acid residues and (2) analyzing terminal cross-linked fragment ions is insufficient to unambiguously localize sites of linker attachment.
View Article and Find Full Text PDFDrug Test Anal
April 2024
Department of Chemistry, Clemson University, Clemson, SC, USA.
Fentanyl is a potent synthetic opioid that has attracted significant attention due to its illegal production and distribution, resulting in misuse, overdose, and fatalities. Because numerous fentanyl analogs, including structural isomers, with different potency have been discovered in the field, there is a critical need to continue developing analytical methodologies capable of accurate identification in forensic and clinical laboratories. This study aimed to develop a rapid method for detecting and separating fentanyl isomers based on ion mobility-mass spectrometry (IM-MS), where IM separates gas-phase ions based on differences in their size, shape, and charge.
View Article and Find Full Text PDFJ Phys Chem B
May 2023
Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada.
Current experiments only provide low-resolution information on gaseous protein ions generated by electrospray ionization (ESI). Molecular dynamics (MD) simulations can yield complementary insights. Unfortunately, conventional MD does not capture the mobile nature of protons in gaseous proteins.
View Article and Find Full Text PDFLight Sci Appl
March 2023
Institute for Photon Science and Technology, The University of Tokyo, Tokyo, 113-0033, Japan.
High-speed measurement confronts the extreme speed limit when the signal becomes comparable to the noise level. In the context of broadband mid-infrared spectroscopy, state-of-the-art ultrafast Fourier-transform infrared spectrometers, in particular dual-comb spectrometers, have improved the measurement rate up to a few MSpectra s, which is limited by the signal-to-noise ratio. Time-stretch infrared spectroscopy, an emerging ultrafast frequency-swept mid-infrared spectroscopy technique, has shown a record-high rate of 80 MSpectra s with an intrinsically higher signal-to-noise ratio than Fourier-transform spectroscopy by more than the square-root of the number of spectral elements.
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