title: Standardless screening of chemical warfare agents based on gas chromatographic data.
abstract: A method for calculation of the retention time of a compound in a temperature-programmed mode of GC analyses is proposed. The method is based on a detailed consideration of thermodynamics of chromatographic process and account of the actual state of a capillary column. The suggested approach permits estimation of probability of a poisonous agent in tests by means of information stored in the database, eliminating a need for reference standard of such an agent.
authors.affiliation: Chemistry Department, Research Institute of Hygiene, Toxicology and Occupational Pathology, Zemljachky st. 12, 400048 Volgograd, Russia. a-lek@vlink.ru
authors.forename: Andrey S
authors.initials: AS
authors.lastname: Lekomtsev
authors.forename: Elena P
authors.initials: EP
authors.lastname: Vekhter
mesh_terms: D000465:Algorithms; D000473:Alkanes / Q000737:chemistry; D002619:Chemical Warfare Agents / Q000032:analysis*; D002849:Chromatography, Gas; D012015:Reference Standards; D013696:Temperature; D009626:Terminology as Topic; D013816:Thermodynamics
chemical_list: D000473:Alkanes; D002619:Chemical Warfare Agents