We study the effect of counter-ion complexation on the example of Cl(-) ions interacting with the [Co(en)(3)](3+) complex. The H-bonding of the N-H groups of the ethylenediamine (en) ligands with the Cl(-) ions may lead to giant enhancement of the VCD intensity for the N-H stretches, but may also lead to VCD sign changes in the finger print region of N-H wagging, twisting and scissoring motions...

Macrocycles up to 15 members with different heteroatoms (N, O, and S) and dendrimeric functionalized branches were assembled, resulting in unique "collective" supramolecular hosts with several active sites for transition metal ions complexation. The nature of the interactions between these kinds of systems and metal ions of the first transition series (Fe, Ni, Cu, Zn) was evaluated by calculati...

Several attempts have been made to improve the solubility of water insoluble drugs. Over the years, inclusion complexation of drugs with β-cyclodextrin has emerged as a viable attempt to improve the dissolution of water insoluble drugs. The aim of the present work was to improve the dissolution rate of lovastatin, a water insoluble drug, by inclusion complexation with β-cyclodextrin. The stoich...

Three aqueous self-assembling poly(acrylate) networks have been designed to gain insight into the factors controlling the complexation and release of small molecules within them. These networks are formed between 8.8% 6A-(2-aminoethyl)amino-6A-deoxy-6A-β-cyclodextrin, β-CDen, randomly substituted poly(acrylate), PAAβ-CDen, and one of the 3.3% 1-(2-aminoethyl)amidoadamantyl, ADen, 3.0% 1-(6-amin...

Purpose: With the introduction of combinatorial chemistry and high throughput screening, the properties of new chemical entities shifted towards higher molecular weight and increasing lipophilicity that results in decreasing aqueous solubility. It is not surprising that many drug candidates have poor water solubility since the initial selection of drug candidates are based on activity alone. Ot...

This study deals with the preparation and investigation of a nanoscale delivery system for the anticancer drug doxorubicin (DOX) using its complexation with polyanionic carbohydrate dextran sulfate (DS). Dynamic light scattering, SEM, and zeta potential determination were used to characterize nanocomplexes. DOX-DS complexation was studied in the presence of ethanol as a hydrogen-bond disrupting...

Natural lipophilic bioactives that possess human health benefits, such as coenzyme Q10 (CoQ10) and R-α-lipoic acid (RALA), often have undesirable characteristics that limit their use as nutraceuticals and cosmeceuticals. These bioactives are usually unstable against oxygen, ultraviolet light, low pH and heat. Furthermore, their watersolubility is low because of their hydrophobic nature or insta...

We examined complexes between cucurbit[6]uril and each of ortho-, meta-, and para-phenylenediamine using computational methods, Fourier transform ion cyclotron resonance mass spectrometry, and ion mobility spectrometry. These fundamental gas phase studies show that the lowest energy binding sites for ortho- and meta-phenylenediamine are on the exterior of cucurbit[6]uril, whereas para-phenylene...