We present a fully automatic method, autoP, for identification and quantification of lipids in complex lipid mixtures from 1D (31)P and 2D (1)H-(31)P NMR spectra. The (31)P chemical shifts in lipids are highly sensitive to experimental conditions such as pH and temperature, so the present method uses the much more unambiguous (1)H chemical shifts for assignment and (31)P intensities for quantification. By using 2D (1)H-(31)P total correlation spectroscopy (TOCSY) correlation experiments, we demonstrate that approximately 20 different lipids can be automatically and unambiguously assigned and quantified by this automatic method.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1021/acs.analchem.5b03798 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
[Vacuum ultraviolet laser dissociation and proteomic analysis of halogenated peptides].
Se Pu
February 2025
CAS Key Laboratory of Separation Sciences for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
Chemical modifications are widely used in research fields such as quantitative proteomics and interaction analyses. Chemical-modification targets can be roughly divided into four categories, including those that integrate isotope labels for quantification purposes, probe the structures of proteins through covalent labeling or cross-linking, incorporate labels to improve the ionization or dissociation of characteristic peptides in complex mixtures, and affinity-enrich various poorly abundant protein translational modifications (PTMs). A chemical modification reaction needs to be simple and efficient for use in proteomics analysis, and should be performed without any complicated process for preparing the labeling reagent.
View Article and Find Full Text PDFIdentification of quality markers and mechanisms of Anzi Tiaochong Fang in the treatment of antiphospholipid syndrome-related recurrent pregnancy loss: chemical analysis, network pharmacology, and in vitro approaches.
BMC Complement Med Ther
January 2025
Department of Traditional Chinese Medicine, Shenzhen Maternity and Child Healthcare Hospital, Southern Medical University, Shenzhen, P.R. China.
Introduction: Anzi Tiaochong Fang (ATF) is a traditional Chinese medicine (TCM) Fangji widely used to treat antiphospholipid syndrome-related recurrent pregnancy loss (APS-RPL). This study aimed to identify the quality markers and elucidate the mechanisms of ATF in treating APS-RPL.
Methods: Chemical, network pharmacology, and in vitro verification were employed to identify quality markers and mechanisms of ATF.
Research Trends and Development Dynamics of qPCR-based Biomarkers: A Comprehensive Bibliometric Analysis.
Mol Biotechnol
January 2025
Chongqing Key Laboratory of Sichuan-Chongqing Co-Construction for Diagnosis and Treatment of Infectious Diseases Integrated Traditional Chinese and Western Medicine, College of Medical Technology, Chengdu University of Traditional Chinese Medicine, 1166 Liutai Avenue, Wenjiang District, Chengdu, 611137, Sichuan, China.
Quantitative polymerase chain reaction (qPCR) is a vital molecular technique for biomarker detection; however, its clinical application is impeded by the scarcity of robust biomarkers and the inherent limitations of the technology. This study conducted a bibliometric analysis of 4063 qPCR-based biomarker studies sourced from the Web of Science (WOS) database, employing VOSviewer and CiteSpace to generate multi-dimensional structural insights into this field. The results reveal a growing trend in research within this domain, with gene expression analysis playing a central role in the identification of potential biomarkers.
View Article and Find Full Text PDFInsights into Q-marker of Shensong Yangxin capsule in treating cardiac arrhythmias based on a linear substitution strategy in quantification of multiple components.
Phytomedicine
January 2025
Institute of Traditional Chinese Medicine and Natural Products, College of Pharmacy, and International Cooperative Laboratory of Traditional Chinese Medicine Modernization and Innovative Drug Development of Chinese Ministry of Education (MOE), Jinan University, Guangzhou 510632, China. Electronic address:
Background: The concept of a Quality marker (Q-marker) has emerged as a crucial tool for ensuring the safety and efficacy of Traditional Chinese Medicine (TCM) formulas. However, significant challenges remained in the identification and practical application of Q-marker, particularly due to the scarcity of reference standards.
Purpose: This study aimed to achieve a multidimensional integration of chemical profiling, target tissue distribution and in vivo high-throughput screening model to effectively identify the Q-marker of Shensong Yangxin Capsule (SSYX) and propose a linear substitution strategy for the quantification of multiple components.
PeptideForest: Semisupervised Machine Learning Integrating Multiple Search Engines for Peptide Identification.
J Proteome Res
January 2025
Institute of Pharmacy and Molecular Biotechnology, Heidelberg University, 69120 Heidelberg, Germany.
The first step in bottom-up proteomics is the assignment of measured fragmentation mass spectra to peptide sequences, also known as peptide spectrum matches. In recent years novel algorithms have pushed the assignment to new heights; unfortunately, different algorithms come with different strengths and weaknesses and choosing the appropriate algorithm poses a challenge for the user. Here we introduce PeptideForest, a semisupervised machine learning approach that integrates the assignments of multiple algorithms to train a random forest classifier to alleviate that issue.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!