Analysis of variance of chromatographic data is usually performed on the peak table or on entire chromatograms. These two data forms require signal pretreatment. Peak table requires peak detection, their standards and quantification, and the second form of data organization requires warping of the studied chromatograms to eliminate the observed peak shifts, which occurs due to minor variations in chromatographic conditions. In our study, a new form of data representation well suited for chromatographic data originating from multi-channel detection is proposed. It requires neither warping of chromatograms, nor peak detection. Its principles and performance are demonstrated for a real data set (being a part of a larger research project initiated to characterize the infusion of fermented rooibos herbal tea in terms of phenolic composition and antioxidant activity). As the method of choice for the analysis of data variation, the Multiple Analysis of Variance applied to the pairwise data representation was chosen.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1016/j.chroma.2013.03.059 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Validated LC-MS/MS Method for the Determination of Paxalisib on Mouse Dried Blood Spots: An Application to Pharmacokinetic Study in Mice.
Biomed Chromatogr
February 2025
Department of Pharmaceutical Analysis, School of Pharmacy, Anurag University, Medchal-Malkajgiri, Hyderabad, Telangana, India.
Paxalisib is a dual PI3K/mTOR inhibitor, being used in advanced cancer treatment. In this research, we report a validated LC-MS/MS method for quantifying paxalisib from mouse dried blood spot (DBS). We validated the method in-line with the FDA guidelines.
View Article and Find Full Text PDFRobust proteome profiling of cysteine-reactive fragments using label-free chemoproteomics.
Nat Commun
January 2025
Crick-GSK Biomedical LinkLabs, GSK, Gunnels Wood Road, Stevenage, Hertfordshire, UK.
Identifying pharmacological probes for human proteins represents a key opportunity to accelerate the discovery of new therapeutics. High-content screening approaches to expand the ligandable proteome offer the potential to expedite the discovery of novel chemical probes to study protein function. Screening libraries of reactive fragments by chemoproteomics offers a compelling approach to ligand discovery, however, optimising sample throughput, proteomic depth, and data reproducibility remains a key challenge.
View Article and Find Full Text PDFProbabilistic pressure-flow operating space for chromatographic resins using mechanistic modeling.
J Chromatogr A
December 2024
Biopharm Drug Substance Development, GSK, King of Prussia, PA 19406, US.
Article Synopsis
- Pressure drop in chromatography columns is influenced by column diameter and is challenging to predict without extensive data, but modern resin engineering has shifted focus from this issue due to larger beads.
- Recent advancements in small-bead resins for bioprocessing have rekindled interest in understanding pressure drop, prompting the development of a mechanistic model that uses force balances to make predictions based on minimal small-scale experiments.
- This model has been successfully tested and calibrated using different resins, allowing researchers to define safe operating ranges for pressure variables, enhancing the efficiency of resin screening before actual process development.
An Imaged Capillary Isoelectric Focusing Separation of the Linear and Cyclic Variants of a Mimotope of the Cancer-Related CD20 Antigen-Validation and Statistical Evaluation.
J Sep Sci
January 2025
Department of Biosciences and Medical Biology, University of Salzburg, Salzburg, Austria.
Imaged capillary isoelectric focusing was successfully applied for separating an in-house synthesized closely related peptide pair, that is, a linear 12-mer (Rp5-L) and its cyclic 15-mer variant (Rp5-C). Rp5-L represents a mimotope, that is, an epitope mimicking peptide, of the CD20 antigen, which is over-expressed in B-cell-related tumors. Peptide identity-including the successful disulfide bond formation in Rp5-C-was confirmed with matrix-assisted laser desorption ionization-time of flight mass spectrometry.
View Article and Find Full Text PDFChromatographic differentiation in SOA fingerprint identification: A study on naphthalene and α-pinene oxidation.
J Chromatogr A
December 2024
School of Energy and Power Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China. Electronic address:
The evolution of precursors to form secondary organic aerosol (SOA) is still a challenge in atmospheric chemistry. Chamber experiments were conducted to simulate the ambient OH oxidation of naphthalene and α-pinene, which are typical markers of anthropogenic and biogenic emissions. Particulate matters were sampled by quartz filters and were analyzed by comprehensive two-dimensional gas chromatography (GC×GC) coupled with a thermal desorption system (TD) and a mass spectrometer (MS).
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!