Results 21 to 30 of about 22,468 (257)

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-Guest Binding: IV. The QM Treatment, GB Models and the Multi-Trajectory Extension

Liquids, 2023
Due to the similarity of host–guest complexes and protein–ligand and protein–protein assemblies, computational tools for protein–drug complexes are commonly applied in host–guest binding.
Xiaohui Wang, Mao Wang, Zhaoxi Sun
doaj   +1 more source

1-[1,4-Bis(but-3-en-1-yloxy)]-2,3,4,5-(1,4-dimethoxy)pillar[5]arene–1,4-dibromobutane 1:1 inclusion complex

IUCrData, 2023
In the title compound, C51H58O10·C4H8Br2, both the host and guest are completed by crystallographic twofold symmetry (one carbon atom of the host lies on the rotation axis).
Mickey Vinodh, Talal F. Al-Azemi
doaj   +1 more source

Host-Guest Complexations of Amine Boranes and Isoelectronic/Isostructural Quaternary Alkylammonium Cations by Cucurbit[7]uril in Aqueous Solution

Heteroatom Chemistry, 2019
The host-guest complexation of six amine boranes (R3NBH3) by the macrocyclic host molecule cucurbit[7]uril (CB[7]) in aqueous solution has been investigated using 1H and 11B NMR spectroscopy.
Mona A. Gamal-Eldin, Donal H. Macartney
doaj   +1 more source

9,9′-(Biphenyl-2,2′-diyl)difluoren-9-ol 4-methylpyridine solvate

Acta Crystallographica Section E, 2010
The title compound, C38H26O2·C6H7N, crystallized as a host–guest complex from a solvent mixture of 4-methylpyridine and acetone. The dihedral angle between the rings in the biphenyl unit is 87.06 (3)°.
Jamshid Ashurov, Lidiya Izotova, Aziz Ibragimov, Edwin Weber   +3 more
doaj   +1 more source

An Operative Electrostatic Slipping Mechanism along Macrocycle Flexibility Accelerates Guest Sliding during pseudo‐Rotaxane Formation

ChemistryOpen, 2022
A pseudo‐rotaxane is a host−guest complex composed of a linear molecule encircled by a macrocyclic ring. These complexes can be assembled by sliding the host over the guest terminal groups.
Dr. Aldo C. Catalán, Axel A. Loredo, Dr. Ruy Cervantes, Prof. Dr. Jorge Tiburcio   +3 more
doaj   +1 more source

Cyclodextrin Inclusion Complexes with Antibiotics and Antibacterial Agents as Drug-Delivery Systems—A Pharmaceutical Perspective

Pharmaceutics, 2022
Cyclodextrins (CDs) are a family of cyclic oligosaccharides, consisting of a macrocyclic ring of glucose subunits linked by α-1,4 glycosidic bonds. The shape of CD molecules is similar to a truncated cone with a hydrophobic inner cavity and a hydrophilic
Dariusz Boczar, Katarzyna Michalska
doaj   +1 more source

Study of the Counter Anions in the Host-Guest Chemistry of Cucurbit[8]uril and 1-Ethyl-1′-benzyl-4,4′-bipyridinium

The Scientific World Journal, 2013
A series of 1-ethyl-1′-benzyl-4,4′-bipyridinium compounds with different counter anions (BEV-X2, where the X is Cl, Br, I, PF6, ClO4) were synthesized.
Hailong Ji, Fengyu Liu, Shiguo Sun
doaj   +1 more source