A methodological approach to the selection of liquid reagents for chemical ionization ion trap-gas chromatography mass spectrometry: A case study of GBL and 1,4-BD

Guandalini, Luca; Soldani, Giacomo; Rosi, Luca; Calamai, Luca; Bartolucci, Gianluca

doi:10.1016/j.ijms.2015.07.018

Cited by 8 publications

(6 citation statements)

References 18 publications

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“…In order to obtain reliable LOD and LOQ values, the standard error (SE) of response and slope approach was employed [ 32 ]. The estimated SEs of the responses of each analyte were obtained by the SE of y-intercepts (Y-SE) of regression lines and the elaboration of data was obtained from the HPLC-MS/MS analyzes of calibration solutions [ 33 ]. The ME and RE values were determined by comparing the absolute peak areas of analytes of the three sets of samples (set A, B, and C), prepared as described in Section 2.6 , following the formulas shown below [ 31 ]:

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Section: Methodsmentioning

confidence: 99%

Simultaneous Degradation Study of Isomers in Human Plasma by HPLC-MS/MS and Application of LEDA Algorithm for Their Characterization

Pallecchi

Braconi

Menicatti

et al. 2022

IJMS

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This paper proposes a tandem mass spectrometry (MS/MS) approach in isomer recognition by playing in the “energetic dimension” of the experiment. The chromatographic set up (HPLC) was tuned to minimize the run time, without requiring high efficiency or resolution between the isomers. Then, the MS/MS properties were explored to solve the signal assignment by performing a series of energy resolved experiments in order to optimize the parameters, and by applying an interesting post-processing data elaboration tool (LEDA). The reliability of the new approach was evaluated, determining the accuracy and precision of the quantitative results through analysis of the isomer mixture solutions. Next, the proposed method was applied in a chemical stability study of human plasma samples through the simultaneous addition of a pair of isomers. In the studied case, only one of the isomers suffered of enzymatic hydrolysis; therefore, the influence of the stable isomer on the degradation rate of the other was verified. In order to monitor this process correctly, it must be possible to distinguish each isomer present in the sample, quantify it, and plot its degradation profile. The reported results demonstrated the effectiveness of the LEDA algorithm in separating the isomers, without chromatographic resolution, and monitoring their behavior in human plasma samples.

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…”

Section: Methodsmentioning

confidence: 99%

Simultaneous Degradation Study of Isomers in Human Plasma by HPLC-MS/MS and Application of LEDA Algorithm for Their Characterization

Pallecchi

Braconi

Menicatti

et al. 2022

IJMS

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“…Different considerations must be made about the quantitation sensitivity for the two IPMA isomers. Because the slope value of the calibration curve represents the quantitation sensitivity of the analyte, 22 by comparing the reported slope values, in particular, the curves of MRM transition of the precursor ions, one can obtain the best sensitivities for both isomers. Naturally, this observation does not consider isobaric interferences, background noise or other factors due to the sample matrix.…”

Section: Resultsmentioning

confidence: 99%

“…In order to obtain reliable values for limit of detection (LOD) and limit of quantitation (LOQ), the standard deviation of response and slope approach was employed. The estimated standard deviations of responses of each analyte were obtained from the calculated standard deviation of y‐intercepts (SDY‐I) of regression lines 21,22 …”

Section: Methodsmentioning

confidence: 99%

“…The estimated standard deviations of responses of each analyte were obtained from the calculated standard deviation of y-intercepts (SDY-I) of regression lines. 21,22 The precision and accuracy of the quantitative data were evaluated by processing the standard mixture solutions of the isomers (see Section 2.2). The precision was evaluated through the repeatability of the quantitative data of the replicate analysis of each level and was represented by the relative standard deviation value (RSD%).…”

Section: In Order To Obtain Reliable Values For Limit Of Detection (Lod)mentioning

confidence: 99%

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Determination of coeluted isomers in wine samples by application of MS/MS deconvolution analysis

et al. 2020

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Two organic acids isomers, 3-isopropylmalic acid (3-IPMA) and 2-isopropylmalic acid (2-IPMA), were identified and quantified in wine samples by using an LC-MS/MS method without any chromatographic separation, but processing the MS/MS data with a recently developed deconvolution algorithm (LEDA: linear equations deconvolution analysis), thus decreasing the time necessary for the process. In particular, the LEDA tool processes the MS/MS signals and assigns the relative concentrations (abundances) of the isomers in the sample, at the mg L −1 level. The efficiency of MS/MS signal assignment was improved by introducing five linear equations to define the LEDA matrix. Then, as a novel approach, an overdetermined system of linear equations was applied for the deconvolution of isomers. The use of LEDA to identify and quantify the isomers in wine samples, together with the choice of a short LC column and a fast elution gradient, simplifies the process and shortens the time needed. Furthermore, it was evaluated the quantitative determination of the IPMA isomers by using the calibration curve provided by the precursor ion MRM transition data. The calculated values of accuracy (recovery between 82.6% and 99.8%) and precision (RSD between 0.4% and 4.0%) confirm the validity of this quantitative approach and the ability of LEDA to establish the correct percentage of the MS/MS signal for each isomer. Finally, to compare the conventional LC-MS/MS method and our proposed method of LC-MS/MS coupled with LEDA postprocessing elaboration, a series of real wine samples were analysed by both methods, and the results were compared.

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“…In order to obtain reliable limit of detection (LOD) and limit of quantitation (LOQ) values, the c of response and slope approach was employed 30 . The estimated SDs of responses of each analyte were obtained by the calculated SD of y-intercepts (SDY-I) of regression lines 31 .…”

Section: Methodsmentioning

confidence: 99%

Resolution of co-eluting isomers of anti-inflammatory drugs conjugated to carbonic anhydrase inhibitors from plasma in liquid chromatography by energy-resolved tandem mass spectrometry

Menicatti

Pallecchi

Bua

et al. 2018

Journal of Enzyme Inhibition and Medicinal Chemistry

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Rheumatoid arthritis (RA) is a chronic inflammatory disease caused by a faulty autoimmune response. Recently, it was reported that some human carbonic anhydrases (CAs) isoforms are overexpressed in inflamed synovium of RA patients. New CA inhibitors (CAIs) incorporating CA-binding moiety and the cyclooxygenase inhibitor tail (nonsteroidal anti-inflammatory drug [NSAID] type) were studied. The aim of this work is the evaluation of the chemical stability of NSAID − CAI hybrids towards spontaneous or enzymatic hydrolysis by LC-MS/MS. The analytes are isomer pairs of 6- or 7-hydroxycoumarin, their different fragment ions abundances allowed the development of a mathematical tool (LEDA) to distinguish them. LEDA reliability at ng mL−1 level was checked (>90%), being proved the effectiveness in the correct assignment of the isomer present in the sample. The hybrids resulted stable in all tested matrices allowing us to conclude that these compounds reach the target tissues unmodified, opening perspectives for their development in the treatment of inflammation.

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A methodological approach to the selection of liquid reagents for chemical ionization ion trap-gas chromatography mass spectrometry: A case study of GBL and 1,4-BD

Cited by 8 publications

References 18 publications

Simultaneous Degradation Study of Isomers in Human Plasma by HPLC-MS/MS and Application of LEDA Algorithm for Their Characterization

Simultaneous Degradation Study of Isomers in Human Plasma by HPLC-MS/MS and Application of LEDA Algorithm for Their Characterization

Determination of coeluted isomers in wine samples by application of MS/MS deconvolution analysis

Resolution of co-eluting isomers of anti-inflammatory drugs conjugated to carbonic anhydrase inhibitors from plasma in liquid chromatography by energy-resolved tandem mass spectrometry

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