نتایج جستجو برای: inclusion complexes
تعداد نتایج: 262000 فیلتر نتایج به سال:
abstract amino acids are building blocks of proteins, and play a vital role in living beings existence and their functionality. the interaction of these compounds with metal ions is of great importance to biochemists, and chemists, because their functions can be utilized as a model in understanding enzymes mechanism for transport of metal ions to tissues. among twenty essential amino acids w...
glucosyl-ƒ¿-CD (G-ƒ¿-CD), 6-O-ƒ¿-D-glucosyl-ƒÀ-CD (G-ƒÀ-CD), and 6A,6D-di-O-ƒ¿-D-glucosyl-ƒÀ-CD (2G-ƒÀ-CD) with slightly soluble or insoluble drugs in aqueous solution and in the solid state was studied by the solubility method, ultraviolet spectroscopy, and differential scanning calorimetry. These glucosyl-CDs were capable of forming inclusion complexes with compounds which can form complexes ...
The electrospinning of nanofibers (NF) from cyclodextrin inclusion complexes (CD-IC) with an antibacterial agent (triclosan) was achieved without using any carrier polymeric matrix. Polymer-free triclosan/CD-IC NF were electrospun from highly concentrated (160% CD, w/w) aqueous triclosan/CD-IC suspension by using two types of chemically modified CD; hydroxypropyl-beta-cyclodextrin (HPβCD) and h...
[reaction: see text] Bimetallic alkylzinc calixarene inclusion complexes were prepared and used in the ring-opening polymerization of L-lactide. Polymers with high molecular weight and a low degree of polydispersity were obtained. 1H NMR and diffusion NMR experiments suggest that a single-site mechanism is operative.
Various methods are discussed leading directly to enantiopure heterocyclic compounds. Asymmetric catalysis with chiral templates involving hydrogen bonds or metal complexes provides efficient access heterocycles. Enzyme can be simplified when one more enzyme activities replaced by a simple photochemical step, especially photoredox catalysis. Chiral induction in reactions performed crystals is h...
abstract the influence of cation?? and anion?? interactions on the strength and nature of n…h hydrogen bond has been investigated by quantum chemical calculations in s-triazine…3hf complex. ab initio calculations were performed at mp2/6-311++g(d,p) level of theory. the natural bond orbital (nbo) analysis and the bader’s quantum theory of atoms in molecules (aim) were also used to elucidate t...
Ten molecularly diverse compounds, selected on the basis of the standard free energy of complexation with β-cyclodextrin, have been used as training set of molecular docking experiments. After the conformational search of each compound the Molecular Interaction Evaluation (MOLINE) program has been adopted to generate the inclusion geometries. The recognition process has been thermodynamically e...
The objective of the present work was to enhance the solubility and dissolution of practically water-insoluble drug raloxifene HCl (RLX), for the same two approaches that were used. In the first approach, drug was kneaded with hydroxypropyl-β-cyclodextrin (HPβCD), and in the second one drug was cogrinded with modified guar gum (MGG). The drug-cyclodextrin complex and drug-MGG cogrind mixtures w...
The dispersion corrected B97-D functional studies find a previously overlooked conformer of the buckycatcher C(60)H(28) (2) exhibiting intramolecular pi-pi stacking of its corannulene pincers to represent a global potential energy minimum conformation. B97-D/TZVP calculated geometry of C(60)@2 supramolecular assembly is in excellent agreement with the X-ray structure, slightly better than the p...
Complexes of cyclodextrins with amino acid analytes are produced in the gas phase and are ideal for the study of molecular recognition. In this Account, we discuss the evidence for the presence of gas-phase inclusion complexes and the nature of the interaction. The use of cyclodextrins as chiral selectors in gas-phase guest-exchange reactions is illustrated, and the nature of the enantioselecti...
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