4.7 Article

Effects of structural characteristics of (un)conjugated steroid metabolites in their collision cross section value

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Analytical

Revealing the differences in collision cross section values of small organic molecules acquired by different instrumental designs and prediction models

Lidia Belova et al.

Summary: The number of open access databases containing experimental and predicted collision cross section (CCS) values is increasing, which is important for compound identification. However, the reproducibility of reference values with different instrumental designs and the comparison between predicted and experimental CCS values is still being evaluated. This study compared experimental CCS values of 56 small molecules acquired by both drift tube (DT) and travelling wave (TW) ion mobility mass spectrometry (IM-MS). The results showed good correlation between the datasets of the two methods. Prediction models based on artificial neural networks (ANN) and multivariate adaptive regression splines (MARS) were also found to be applicable for the prediction of CCS values. Recommendations for database transfer and applications of prediction models are provided for future studies.

ANALYTICA CHIMICA ACTA (2022)

Article Environmental Sciences

The relevant role of ion mobility separation in LC-HRMS based screening strategies for contaminants of emerging concern in the aquatic environment

Alberto Celma et al.

Summary: IMS-HRMS is a promising technique for the analysis of micropollutants, providing reliable identification. IMS separates ionized compounds and translates data into CCS values, improving identification reliability. The application of IMS and its restrictions have a significant impact on the identification of contaminants.

CHEMOSPHERE (2021)

Article Chemistry, Analytical

Ion mobility-high resolution mass spectrometry in anti-doping analysis. Part I: Implementation of a screening method with the assessment of a library of substances prohibited in sports

Katerina Plachka et al.

Summary: In this study, a generic UHPLC-IM-HRMS method was successfully developed to analyze 192 doping agents, with an exhaustive database constructed. Results showed that filtering MS data using IMS provided easier interpretation and lower risk of false positive interpretations, with added selectivity to separate isobaric and isomeric substances.

ANALYTICA CHIMICA ACTA (2021)

Article Chemistry, Analytical

Ion mobility-high resolution mass spectrometry in doping control analysis. Part II: Comparison of acquisition modes with and without ion mobility

Katerina Plachka et al.

Summary: This study compared the performance of DIA and DIA with IMS technology in analyzing doping agents, with IMS technology helping to reduce the occurrence of false positives.

ANALYTICA CHIMICA ACTA (2021)

Article Chemistry, Analytical

Multidimensional Separations of Intact Phase II Steroid Metabolites Utilizing LC-Ion Mobility-HRMS

Don E. Davis et al.

Summary: The detection and identification of steroid metabolites is crucial in various fields, but current methods face challenges in accurate identification. The development of a new LC-IM-HRMS method to enhance peak capacity and utilize collision cross section values as molecular descriptors shows promise in improving identification accuracy under low concentration conditions.

ANALYTICAL CHEMISTRY (2021)

Article Biochemical Research Methods

Separation of Structurally Similar Anabolic Steroids as Cation Adducts in FAIMS-MS

Michael S. Wei et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2020)

Article Biochemical Research Methods

Ion Mobility Spectrometry and Tandem Mass Spectrometry Analysis of Estradiol Glucuronide Isomers

Alana L. Rister et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2019)

Article Biochemical Research Methods

Ion Mobility Spectrometry: Fundamental Concepts, Instrumentation, Applications, and the Road Ahead

James N. Dodds et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2019)

Article Biochemical Research Methods

Sulfate metabolites improve retrospectivity after oral testosterone administration

Argitxu Esquivel et al.

DRUG TESTING AND ANALYSIS (2019)

Article Biochemical Research Methods

Application of Group I Metal Adduction to the Separation of Steroids by Traveling Wave Ion Mobility Spectrometry

Alana L. Rister et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2019)

Article Chemistry, Analytical

Ion mobility-derived collision cross section database: Application to mycotoxin analysis

Laura Righetti et al.

ANALYTICA CHIMICA ACTA (2018)

Article Chemistry, Analytical

Collision Cross Section (CCS) Database: An Additional Measure to Characterize Steroids

Maykel Hernández-Mesa et al.

ANALYTICAL CHEMISTRY (2018)

Article Chemistry, Analytical

Collision cross section (CCS) as a complementary parameter to characterize human and veterinary drugs

Carmen Tejada-Casado et al.

ANALYTICA CHIMICA ACTA (2018)

Article Biochemical Research Methods

Experimental and Theoretical Investigation of Sodiated Multimers of Steroid Epimers with Ion Mobility-Mass Spectrometry

Christopher D. Chouinard et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2017)

Article Biochemistry & Molecular Biology

Evaluation of two glucuronides resistant to enzymatic hydrolysis as markers of testosterone oral administration

Aristotelis Kotronoulas et al.

JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY (2017)

Article Biochemical Research Methods

Detection and characterization of clostebol sulfate metabolites in Caucasian population

Georgina Balcells et al.

JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES (2016)

Article Chemistry, Analytical

Use of LC-MS/MS for the Open Detection of Steroid Metabolites Conjugated with Glucuronic Acid

Andreu Fabregat et al.

ANALYTICAL CHEMISTRY (2013)

Article Biochemical Research Methods

Separation of steroid isomers by ion mobility mass spectrometry

Linda Ahonen et al.

JOURNAL OF CHROMATOGRAPHY A (2013)

Article Biochemical Research Methods

Sensitive detection of 3′-hydroxy-stanozolol glucuronide by liquid chromatography-tandem mass spectrometry

E. Tudela et al.

JOURNAL OF CHROMATOGRAPHY A (2013)

Review Biochemical Research Methods

Ion mobility-mass spectrometry for structural proteomics

Yueyang Zhong et al.

EXPERT REVIEW OF PROTEOMICS (2012)

Article Biochemical Research Methods

Sensitive and robust method for anabolic agents in human urine by gas chromatography-triple quadrupole mass spectrometry

Miguel A. Delgadillo et al.

JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES (2012)

Article Biochemical Research Methods

Application of FAIMS to anabolic androgenic steroids in sport drug testing

Sven Guddat et al.

DRUG TESTING AND ANALYSIS (2009)

Review Biochemistry & Molecular Biology

Metabolism and excretion of anabolic steroids in doping control - New steroids and new insights

Peter Van Eenoo et al.

JOURNAL OF STEROID BIOCHEMISTRY AND MOLECULAR BIOLOGY (2006)

Article Biochemical Research Methods

Electrospray and atmospheric pressure chemical ionization tandem mass spectrometric behavior of eight anabolic steroid glucuronides

T Kuuranne et al.

JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY (2000)