Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Anna Helena Mazurek"'
Autor:
Anna Helena Mazurek, Łukasz Szeleszczuk, Kostas Bethanis, Elias Christoforides, Marta Katarzyna Dudek, Monika Zielińska-Pisklak, Dariusz Maciej Pisklak
Publikováno v:
Molecules, Vol 28, Iss 9, p 3747 (2023)
17-β-estradiol (EST) is the most potent form of naturally occurring estrogens; therefore, it has found a wide pharmaceutical application. The major problem associated with the use of EST is its very low water solubility, resulting in poor oral bioav
Externí odkaz:
https://doaj.org/article/66b169fec450433dbac64fc1f2f2494e
Publikováno v:
Molecules, Vol 27, Iss 12, p 3874 (2022)
This article aims to review the application of various quantum chemical methods (semi-empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory (MP2)) in the studies of cyclodextrin host–guest complexes. The det
Externí odkaz:
https://doaj.org/article/81865641c7994aefa0f1c0067145c51f
Autor:
Ewa Jurczak, Anna Helena Mazurek, Łukasz Szeleszczuk, Dariusz Maciej Pisklak, Monika Zielińska-Pisklak
Publikováno v:
Pharmaceutics, Vol 12, Iss 10, p 959 (2020)
This review discusses a set of instrumental and computational methods that are used to characterize hydrated forms of APIs (active pharmaceutical ingredients). The focus has been put on highlighting advantages as well as on presenting some limitation
Externí odkaz:
https://doaj.org/article/1cb2c318934b4981b2a5b237d56c4779
Publikováno v:
Pharmaceutics, Vol 12, Iss 5, p 415 (2020)
In the introduction to this review the complex chemistry of solid-state pharmaceutical compounds is summarized. It is also explained why the density functional theory (DFT) periodic calculations became recently so popular in studying the solid APIs (
Externí odkaz:
https://doaj.org/article/ab32925b2b38441f9dc95e728c709ff9
Autor:
Pisklak, Anna Helena Mazurek, Łukasz Szeleszczuk, Kostas Bethanis, Elias Christoforides, Marta Katarzyna Dudek, Monika Zielińska-Pisklak, Dariusz Maciej
Publikováno v:
Molecules; Volume 28; Issue 9; Pages: 3747
17-β-estradiol (EST) is the most potent form of naturally occurring estrogens; therefore, it has found a wide pharmaceutical application. The major problem associated with the use of EST is its very low water solubility, resulting in poor oral bioav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=multidiscipl::df9c2e7c2895674635e64fe30bb6df2f
Autor:
Łukasz Szeleszczuk, Katarzyna Milcarz, Dariusz Maciej Pisklak, Ewa Napiórkowska, Anna Helena Mazurek
Publikováno v:
International Journal of Molecular Sciences, Vol 22, Iss 10100, p 10100 (2021)
International Journal of Molecular Sciences
Volume 22
Issue 18
International Journal of Molecular Sciences
Volume 22
Issue 18
Isosymmetric structural phase transition (IPT, type 0), in which there are no changes in the occupation of Wyckoff positions, the number of atoms in the unit cell, and the space group symmetry, is relatively uncommon. Chlorothiazide, a diuretic agent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aec63b3199284fc6df22fc6f873b5507
https://www.mdpi.com/1422-0067/22/18/10100
https://www.mdpi.com/1422-0067/22/18/10100
Publikováno v:
International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 22, Iss 4378, p 4378 (2021)
International Journal of Molecular Sciences, Vol 22, Iss 4378, p 4378 (2021)
This review focuses on a combination of ab initio molecular dynamics (aiMD) and NMR parameters calculations using quantum mechanical methods. The advantages of such an approach in comparison to the commonly applied computations for the structures opt
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::19436dee14135e58a8de979bc47678c3
https://pubmed.ncbi.nlm.nih.gov/33922192
https://pubmed.ncbi.nlm.nih.gov/33922192
Publikováno v:
International Journal of Molecular Sciences
International Journal of Molecular Sciences, MDPI, 2020, 21, ⟨10.3390/ijms21176411⟩
International Journal of Molecular Sciences, Vol 21, Iss 6411, p 6411 (2020)
International Journal of Molecular Sciences, MDPI, 2020, 21, ⟨10.3390/ijms21176411⟩
International Journal of Molecular Sciences, Vol 21, Iss 6411, p 6411 (2020)
International audience; In this review, applications of various molecular modelling methods in the study of estrogens and xenoestrogens are summarized. Selected biomolecules that are the most commonly chosen as molecular modelling objects in this fie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d022fcba0abe2c6b098ef67569e2ec08
https://hal.archives-ouvertes.fr/hal-03334587/document
https://hal.archives-ouvertes.fr/hal-03334587/document
Publikováno v:
Molecules
Volume 25
Issue 7
Molecules, Vol 25, Iss 1584, p 1584 (2020)
Volume 25
Issue 7
Molecules, Vol 25, Iss 1584, p 1584 (2020)
Crystalline urea undergoes polymorphic phase transition induced by high pressure. Form I, which is the most stable form at normal conditions and Form IV, which is the most stable form at 3.10 GPa, not only crystallize in various crystal systems but a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::17423278779b4c73c998a80276a8505f
Publikováno v:
International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 22, Iss 9422, p 9422 (2021)
International Journal of Molecular Sciences, Vol 22, Iss 9422, p 9422 (2021)
Cyclodextrins (CDs) are highly respected for their ability to form inclusion complexes via host–guest noncovalent interactions and, thus, ensofance other molecular properties. Various molecular modeling methods have found their applications in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cf92f5d941bbc3d3628ea59e2b74193b
https://doi.org/10.3390/ijms22179422
https://doi.org/10.3390/ijms22179422