Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Tom, Vermeyen"'
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-9 (2023)
Abstract Vibrational Circular Dichroism (VCD) spectra often differ strongly from one conformer to another, even within the same absolute configuration of a molecule. Simulated molecular VCD spectra typically require expensive quantum chemical calcula
Externí odkaz:
https://doaj.org/article/907f93acdeea489dae109da1320798ac
Autor:
Ngoc-Thao-Hien Le, Steven De Jonghe, Kristien Erven, Tom Vermeyen, Aliou M. Baldé, Wouter A. Herrebout, Johan Neyts, Christophe Pannecouque, Luc Pieters, Emmy Tuenter
Publikováno v:
Molecules, Vol 28, Iss 7, p 3222 (2023)
The Amaryllidaceae species are well-known as a rich source of bioactive compounds in nature. Although Hymenocallis littoralis has been studied for decades, its polar components were rarely explored. The current phytochemical investigation of Amarylli
Externí odkaz:
https://doaj.org/article/e5f432bc9e8c4b2da26b8e6b24bc94ff
Publikováno v:
Molecules, Vol 28, Iss 1, p 214 (2022)
Structural elucidation has always been challenging, and misassignment remains a stringent issue in the field of natural products. The growing interest in discovering unknown, complex natural structures accompanies the increasing awareness concerning
Externí odkaz:
https://doaj.org/article/abc25f425bdd4bcf9de15bf78120c622
Autor:
Jonathan Bogaerts, Roy Aerts, Tom Vermeyen, Christian Johannessen, Wouter Herrebout, Joao M. Batista
Publikováno v:
Pharmaceuticals, Vol 14, Iss 9, p 877 (2021)
Chirality plays a crucial role in drug discovery and development. As a result, a significant number of commercially available drugs are structurally dissymmetric and enantiomerically pure. The determination of the exact 3D structure of drug candidate
Externí odkaz:
https://doaj.org/article/72d793eed59f485c87a8e5b9c36e5b7e
Autor:
Tom Vermeyen, Andrea N. L. Batista, Alessandra L. Valverde, Wouter Herrebout, João M. Batista
Publikováno v:
Physical chemistry, chemical physics
Vibrational circular dichroism (VCD) is one of the most powerful techniques to assess stereochemistry of chiral molecules in solution state. The need for quantum chemical calculations to interpret experimental data, however, has precluded its widespr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::156d234651e69a5f056e1d5b0e4bc4e4
https://hdl.handle.net/10067/1964380151162165141
https://hdl.handle.net/10067/1964380151162165141
Autor:
Mohamed Sahar Traore, Aliou Mamadou Balde, Laura Peeters, Luc Pieters, Tom Vermeyen, Mamadou Aliou Baldé, Paul Cos, Wouter A. Herrebout, An Matheeussen, Kenn Foubert, Emmy Tuenter, Guy Caljon
Publikováno v:
Journal of natural products
Phytochemical investigation of the n-BuOH extract of the roots of Terminalia albida Sc. Elliot (Combretaceae) led to the isolation and identification of 10 oleanane triterpenoids (1–10), among which six new compounds, i.e., albidanoside A (2), albi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0cdf46110a7bb55b2a9fcb6e214a691a
https://doi.org/10.1021/acs.jnatprod.0c01119
https://doi.org/10.1021/acs.jnatprod.0c01119
Autor:
Mamadou A, Baldé, Emmy, Tuenter, Mohamed S, Traoré, Laura, Peeters, An, Matheeussen, Paul, Cos, Guy, Caljon, Tom, Vermeyen, Wouter, Herrebout, Aliou M, Balde, Kenn, Foubert, Luc, Pieters
Publikováno v:
Journal of natural products. 84(3)
Phytochemical investigation of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::dfb49ed90a37fd710c660ea7747ebaf9
https://pubmed.ncbi.nlm.nih.gov/33667089
https://pubmed.ncbi.nlm.nih.gov/33667089
Autor:
Roy Aerts, Robin Van Echelpoel, Patrick Bultinck, Guillaume Acke, Tom Vermeyen, Jure Brence, Wouter A. Herrebout
Publikováno v:
Physical chemistry, chemical physics
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
The added value of supervised Machine Learning (ML) methods to determine the Absolute Configuration (AC) of compounds from their Vibrational Circular Dichroism (VCD) spectra was explored. Among all ML methods considered, Random Forest (RF) and Feedfo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::69417e4bd57fe62b32cbbe6ce18b8dcf
https://hdl.handle.net/10067/1802900151162165141
https://hdl.handle.net/10067/1802900151162165141
Autor:
Christian Johannessen, Roy Aerts, Wouter A. Herrebout, Tom Vermeyen, João M. Batista, Jonathan Bogaerts
Publikováno v:
Pharmaceuticals
Pharmaceuticals, Vol 14, Iss 877, p 877 (2021)
Pharmaceuticals, Vol 14, Iss 877, p 877 (2021)
Chirality plays a crucial role in drug discovery and development. As a result, a significant number of commercially available drugs are structurally dissymmetric and enantiomerically pure. The determination of the exact 3D structure of drug candidate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4acf1dd153e18843234ceca566fc73f
https://hdl.handle.net/10067/1805920151162165141
https://hdl.handle.net/10067/1805920151162165141
Autor:
Dirk Volkmer, Björn Bredenkötter, Katharina Knippen, Kunihisa Sugimoto, Patrick Bultinck, Wouter A. Herrebout, Lisa Kanschat, Tom Vermeyen, Maryana Kraft
Publikováno v:
Journal of the Chemical Society : Dalton transactions
Dalton Transactions : an international journal of inorganic chemistry
Dalton Transactions : an international journal of inorganic chemistry
In this work, we introduce the first enantiopure bistriazolate-based metal-organic framework, CFA-18 (Coordination Framework Augsburg-18), built from the R-enantiomer of 7,7,7',7'-tetramethyl-6,6',7,7'-tetrahydro-3H,3'H-5,5'-spirobi[indeno[5,6-d]-[1,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8f8c1c9cbb3cb826a4849575ab8c421d
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/81990
https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/81990
