Current status of quantum chemical studies of cyclodextrin host–guest complexes
AH Mazurek, Ł Szeleszczuk - Molecules, 2022 - mdpi.com
This article aims to review the application of various quantum chemical methods (semi-
empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory …
empirical, density functional theory (DFT), second order Møller–Plesset perturbation theory …
Encapsulation of thiabendazole in hydroxypropyl‐β‐cyclodextrin nanofibers via polymer‐free electrospinning and its characterization
S Gao, Y Liu, J Jiang, X Li, L Zhao… - Pest Management …, 2020 - Wiley Online Library
BACKGROUND Thiabendazole (TBZ) is a poorly water‐soluble benzimidazole fungicide.
However, the water solubility of TBZ can be significantly enhanced by inclusion …
However, the water solubility of TBZ can be significantly enhanced by inclusion …
Coordination of new palladium (II) complexes with derived furopyran-3, 4‑dione ligands: Synthesis, characterization, redox behaviour, DFT, antimicrobial activity …
The synthesis, characterization, theoretical study, electrochemical behaviour and biological
activity of new series of Pd (II) complexes were reported with 6-methyl-2-(phenyl (p …
activity of new series of Pd (II) complexes were reported with 6-methyl-2-(phenyl (p …
Synthesis, structural characterization, computational studies, and in silico and in vitro biological activities of cyclodextrin inclusion complex with sulfonamide derived …
An inclusion complex of sulfonamide derived from L-valine (dimethyl 2, 2′-(sulfonylbis
(azanediyl)) bis (3-methylbutanoate),(DSBM), with cyclodextrin has been synthesized and …
(azanediyl)) bis (3-methylbutanoate),(DSBM), with cyclodextrin has been synthesized and …
New complexes of manganese (II) and copper (II) derived from the two new furopyran-3, 4-dione ligands: Synthesis, spectral characterization, ESR, DFT studies and …
Y Abdi, N Bensouilah, D Siziani, M Hamdi… - Journal of Molecular …, 2020 - Elsevier
A total of four new metal complex derivatives of two new ligands 2-(hydroxy (phenyl)-6-
methyl-2H-furo [3, 2-c] pyran-3, 4-dione (L 1) and 2-(hydroxyl (2-hydroxyphenyl)-6-methyl …
methyl-2H-furo [3, 2-c] pyran-3, 4-dione (L 1) and 2-(hydroxyl (2-hydroxyphenyl)-6-methyl …
Insights into the selective imprinted polymer of voriconazole from host-guest interaction perspective
The incidence of fungal coinfections, such as Aspergillus spp., in patients with COVID-19
has been widely reported. Voriconazole is the first-line treatment for aspergillosis. A …
has been widely reported. Voriconazole is the first-line treatment for aspergillosis. A …
Synthesis of axially silicon phthalocyanine substituted with bis-(3, 4-dimethoxyphenethoxy) groups, DFT and molecular docking studies
DG Solgun, AA Tanriverdi, U Yildiko… - Journal of Inclusion …, 2022 - Springer
Axially bis-substituted silicon phthalocyanine was synthesized from the reaction of 2-(3, 4-
dimethoxy phenyl) ethanol and SiPcCl2. The structure of the compound was justified by FT …
dimethoxy phenyl) ethanol and SiPcCl2. The structure of the compound was justified by FT …
Unraveling multi-template molecularly imprinted polymer for selective extraction of triazole antifungals: Theoretical and experimental investigation
Fungal coinfection is an emerging problem in the COVID-19 pandemic. Aspergillus and
Candida species are the most prevalent pathogens. Therapeutic drug monitoring of triazole …
Candida species are the most prevalent pathogens. Therapeutic drug monitoring of triazole …
Novel oxazolidinone zinc(II) complexes as antibacterial and anti-SARS-CoV-2 agents: synthesis, characterization, DFT calculations, ADMET, in silico molecular …
A series of Zn (II) complexes with oxazolidinone derivatives has been synthesized and
characterized using spectroscopic techniques: IR, 1H NMR, UV-Vis spectroscopy, and …
characterized using spectroscopic techniques: IR, 1H NMR, UV-Vis spectroscopy, and …
Nanoscale synthesis, structural elucidation, DFT, and biological activity of amide appended transition metal (II) macrocyclic complexes in drug delivery system
Nanoscale complexes of Mn (II), Ni (II), and Cu (II) with 6, 15-diamino-1, 4, 9, 12-
tetraazacyclohexadecane-5, 8, 13, 16-tetraone were synthesized by ultrasonic sonication …
tetraazacyclohexadecane-5, 8, 13, 16-tetraone were synthesized by ultrasonic sonication …