Новое в методологии химической идентификации
- Authors: Мильман Б.Л.1, Журкович И.К.1
-
Affiliations:
- Научно-клинический центр токсикологии имени академика С.Н. Голикова Федерального медико-биологического агентства России
- Issue: Vol 79, No 2 (2024)
- Pages: 119–137
- Section: Reviews
- Submitted: 21.07.2024
- Accepted: 21.07.2024
- URL: https://journals.rcsi.science/0044-4502/article/view/259956
- DOI: https://doi.org/10.31857/S0044450224020029
- EDN: https://elibrary.ru/vziygk
- ID: 259956
Cite item
Abstract
Представлен обзор основных методов, способов, процедур и информационных продуктов, применяемых в последние годы при идентификации химических соединений. Методология, используемая в целевом анализе, во многом осталась без изменения; лишь критерии идентификации подверглись некоторой корректировке. Резко расширился фронт исследований в нецелевом анализе. В этом случае основные проблемы заключаются в выявлении кандидатов на идентификацию. Эти версии проверяются по типичным критериям целевого анализа. Эффективный поиск подходящих кандидатских соединений стал возможен при появлении современных хромато-масс-спектрометров высокого разрешения и прогрессе информатики. Последний включает разработку алгоритмов и программ обработки хроматографических и масс-спектрометрических данных, их сравнения со справочными характеристиками, прогнозирования масс-спектров и параметров удерживания и других величин. Химические базы данных позволяют оценить распространенность химических соединений и соответственно их перспективность как кандидатов на идентификацию.
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About the authors
Б. Л. Мильман
Научно-клинический центр токсикологии имени академика С.Н. Голикова Федерального медико-биологического агентства России
Author for correspondence.
Email: bormilman@yandex.ru
Russian Federation, 192019, Санкт-Петербург, ул. Бехтерева, 1
И. К. Журкович
Научно-клинический центр токсикологии имени академика С.Н. Голикова Федерального медико-биологического агентства России
Email: bormilman@yandex.ru
Russian Federation, 192019, Санкт-Петербург, ул. Бехтерева, 1
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