Zobrazeno 1 - 10
of 1 012
pro vyhledávání: '"QSRR"'
Insights into predicting small molecule retention times in liquid chromatography using deep learning
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-19 (2024)
Abstract In untargeted metabolomics, structures of small molecules are annotated using liquid chromatography-mass spectrometry by leveraging information from the molecular retention time (RT) in the chromatogram and m/z (formerly called ''mass-to-cha
Externí odkaz:
https://doaj.org/article/293e6d078d7b41af96fe1de91e8ad7b4
Autor:
Slavica Oljacic, Mitja Križman, Marija Popovic-Nikolic, Irena Vovk, Katarina Nikolic, Danica Agbaba
Publikováno v:
ADMET and DMPK (2024)
Background and Purpose: The ligands of the imidazoline and α-adrenergic receptors are mainly imidazoline and guanidine derivatives, known as centrally-acting antihypertensives and compounds with potential use in various neurological disorders. The e
Externí odkaz:
https://doaj.org/article/c44105695455473385fd17b109b64422
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Journal of the Serbian Chemical Society, Vol 86, Iss 4, Pp 381-391 (2021)
Due to the importance of amino acids (AAs) as the basic bricks of proteins and their application in the drug and food industries, there is great interest in their separation and identification using simple and inexpensive approaches. Application of p
Externí odkaz:
https://doaj.org/article/dcdef6e3712e4b7ba7162fa1b6309226
Autor:
Plavšić Dragana V., Škrinjar Marija M., Psodorov Đorđe B., Pezo Lato L., Milovanović Ivan Lj., Psodorov Dragan Đ., Kojić Predrag S., Kocić-Tanackov Sunčica D.
Publikováno v:
Journal of the Serbian Chemical Society, Vol 85, Iss 9, Pp 1149-1161 (2020)
The objective of this research was to determine chemical composition and to evaluate the antifungal activity of essential oil of Mentha piperita. By the application of GC/MS analysis of essential mint oil, 27 components were identified. The major com
Externí odkaz:
https://doaj.org/article/9cdfa2a8a6f14e828348d0cd6b2a4584
Publikováno v:
Journal of the Serbian Chemical Society, Vol 85, Iss 1, Pp 9-23 (2020)
This work aimed to obtain a validated model for prediction of retention time of terpenoids isolated from sage herbal dust using supercritical fluid extraction. In total 32 experimentally obtained retention time of terpenes, which were separated and d
Externí odkaz:
https://doaj.org/article/bf4e5fa377e9431a83571ec2ff59daae
Publikováno v:
Molecules, Vol 28, Iss 5, p 2270 (2023)
The n-octanol–water partition coefficient (logP) is an important physicochemical parameter which describes the behavior of organic compounds. In this work, the apparent n-octanol/water partition coefficients (logD) of basic compounds were determine
Externí odkaz:
https://doaj.org/article/afaa3a97e15949188419be631db18dd1
Autor:
Priyanka Kumari, Thomas Van Laethem, Philippe Hubert, Marianne Fillet, Pierre-Yves Sacré, Cédric Hubert
Publikováno v:
Molecules, Vol 28, Iss 4, p 1696 (2023)
Reversed-Phase Liquid Chromatography (RPLC) is a common liquid chromatographic mode used for the control of pharmaceutical compounds during their drug life cycle. Nevertheless, determining the optimal chromatographic conditions that enable this separ
Externí odkaz:
https://doaj.org/article/da6aae56e20c43028484dff16f4fb32c
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Julien Parinet
Publikováno v:
Heliyon, Vol 7, Iss 12, Pp e08563- (2021)
To be able to predict reversed phase liquid chromatographic (RPLC) retention times of contaminants is an asset in order to solve food contamination issues. The development of quantitative structure–retention relationship models (QSRR) requires sele
Externí odkaz:
https://doaj.org/article/2edc00facfd542eb92e410b3dfd83d28