An accelerated background subtraction algorithm for processing high-resolution MS data and its application to metabolite identification
| Autor: | Abhi Shah, Mohammad Shadid, Jayaprakasam Bolleddula, Jing-Tao Wu, Swapan Chowdhury, Venkateswaran Shekar |
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| Rok vydání: | 2016 |
| Předmět: |
0301 basic medicine
Time Factors Metoclopramide Metabolite Clinical Biochemistry Graphics processing unit Interference (wave propagation) 01 natural sciences Mass Spectrometry Analytical Chemistry 03 medical and health sciences chemistry.chemical_compound Animals Bile General Pharmacology Toxicology and Pharmaceutics Chromatography High Pressure Liquid Multi-core processor Background subtraction 010401 analytical chemistry General Medicine Rats 0104 chemical sciences Dopamine D2 Receptor Antagonists Medical Laboratory Technology Identification (information) 030104 developmental biology chemistry Microsomes Liver Mass spectrum Reverse Transcriptase Inhibitors Central processing unit Delavirdine Algorithm Algorithms |
| Zdroj: | Bioanalysis. 8:1693-1707 |
| ISSN: | 1757-6199 1757-6180 |
| DOI: | 10.4155/bio-2016-0101 |
| Popis: | Background: Metabolite identification without radiolabeled compound is often challenging because of interference of matrix-related components. Results: A novel and an effective background subtraction algorithm (A-BgS) has been developed to process high-resolution mass spectral data that can selectively remove matrix-related components. The use of a graphics processing unit with a multicore central processing unit enhanced processing speed several 1000-fold compared with a single central processing unit. A-BgS algorithm effectively removes background peaks from the mass spectra of biological matrices as demonstrated by the identification of metabolites of delavirdine and metoclopramide. Conclusion: The A-BgS algorithm is fast, user friendly and provides reliable removal of matrix-related ions from biological samples, and thus can be very helpful in detection and identification of in vivo and in vitro metabolites. |
| Databáze: | OpenAIRE |
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