betadex and hydroxide-ion

Novel organic-inorganic hybrid ultrathin films were fabricated by alternate assembly of cationic exfoliated Mg-Al-layered double hydroxide (LDH) nanosheets and carboxymethyl-β-cyclodextrin (CMCD) as a polyanion onto a glassy carbon electrode (GCE) via a layer-by-layer (LBL) approach. The multilayer films were then characterized by means of X-ray powder diffraction (XRD), infrared spectroscopy (IR), and scanning electron microscopy (SEM). These films were found to possess a long range stacking order in the normal direction of the substrate with a continuous and uniform morphology. Its electrochemical performance was systematically investigated. Our results demonstrate that such a newly designed (LDH/CMCD)n multilayer film, combining the individual properties of CMCD (a high supramolecule recognition and enrichment capability) together with LDH nanosheets (a rigid inorganic matrix), can be applied to a sensitive, simple, and label-free capacitive detection of acephatemet (AM). Molecular docking calculations further disclose that the selective sensing behavior toward AM may be attributed to the specific binding ability of CMCD to AM. Under the optimized conditions, the capacitive change of AM was proportional to its concentration ranging from 0.001 to 0.10 μg mL(-1) and 0.1 to 0.8 μg mL(-1) with a detection limit 0.6 ng mL(-1) (S/N=3). Toward the goal for practical applications, this simple probe was further evaluated by monitoring AM in real samples.

Topics: beta-Cyclodextrins; Electrochemical Techniques; Electrodes; Hydroxides; Limit of Detection; Molecular Docking Simulation; Nanostructures; Organophosphates; Pesticides; X-Ray Diffraction

A biodegradable, β-cyclodextrin-based superabsorbent resin was synthesized by the inverse suspension method. The microstructure, chemical structure, and thermal performance of the resin were characterized by scanning electron microscopy, Fourier transform-infrared spectroscopy, and differential scanning calorimetry. The effects of the synthesis conditions (dosage of cross-linking agent, mass ratios of acrylic acid to acrylamide, mass ratios of β-cyclodextrin to total monomer, neutralization degree, initiator dosage, and reaction time) were optimized to achieve a resin with a maximum swelling capacity. The water absorbency of the optimized resin in distilled water was 1544.76 g/g and that in 0.9 wt.% NaCl was 144.52 g/g. The resin, which is thermoplastic as well as pH-sensitive, had good salt resistance and underwent a maximum in swelling with time in CaCl(2) and AlCl(3) solutions. The fracture surface of the dry resin contained many pores. After swelling, the internal hydrogel showed a typical three-dimensional network structure. The biodegradation of the resin reached 71.2% after 18 days treatment at 30 °C with Lentinus edodes.

Topics: Absorption; beta-Cyclodextrins; Chemistry Techniques, Synthetic; Chlorine; Fungi; Hydrogen-Ion Concentration; Hydroxides; Polymerization; Resins, Synthetic; Temperature; Time Factors; Water

Nuclear receptors mediate allosteric communications where ligand binding initiates a cascade of signal transduction. The interaction of vitamin D with vitamin D receptor (VDR) was investigated by (19)F NMR spectroscopy of the complexes of three fluorinated vitamin D derivatives with the full-length rat VDR-LBD. In the (19)F NMR spectra of the VDR-ligand complexes, the A-ring of 4,4-difluoro-1,25(OH)2D3 was revealed to adopt β-conformation in the VDR in solution, and the spectra were shown to be dependent on the dissociation constant. While the complex of 4,4-difluoro-1,25(OH)2D3 with VDR exhibited a clear distinguishable (19)F NMR spectrum, those of (19)F-1,25(OH)2D3 stereoisomers, which have 10-fold higher VDR affinity than 4,4-difluoro-1,25(OH)2D3, did not. The solid-phase NMR technique was useful for (19)F-1,25(OH)2D3 stereoisomers. The fluorinated vitamin D derivatives showed marked changes in the chemical shift (Δ4-19.7 ppm) upon VDR-complex formation, and the ab initio MO method suggested that van der Waals interactions play a major role in the complex formation.

Topics: Allosteric Site; Animals; beta-Cyclodextrins; Calcitriol; Carbon; Cholecalciferol; Crystallography; Fluorine; Hydrogen; Hydroxides; Ligands; Magnetic Resonance Spectroscopy; Models, Chemical; Molecular Conformation; Molecular Structure; Rats; Receptors, Calcitriol; Vitamin D

The 1:1 inclusion complex of beta-cyclodextrin and benzamide was prepared and characterized by single crystal X-ray diffraction, PXRD, TGA, and IR. This complex crystallizes in the monoclinic P2(1) space group with unit cell constants a=15.4244(16), b=10.1574(11), c=20.557(2)A, beta=110.074(2) degrees , V=3025.1(6)A(3). The guest molecule projects into the beta-cyclodextrin cavity from the primary hydroxyl side. The amide group protrudes from the primary hydroxyl side and forms hydrogen bonds with the adjacent beta-cyclodextrin molecule. There are six crystallized water molecules, which play crucial roles in crystal packing.

Topics: Benzamides; beta-Cyclodextrins; Crystallization; Crystallography, X-Ray; Hydrogen Bonding; Hydroxides; Models, Molecular; Spectrophotometry, Infrared; Water

Polymerizable cyclodextrin derivatives (PCDs) have been proposed as candidates for use in dental therapeutics (Bowen, 1996; Bowen and Reed, 1997). Here, PCD "libraries" were synthesized by quasi-random reactions of 6 moles of methacrylic anhydride plus 6 moles of cyclic glutaric anhydride per mole of beta-cyclodextrin (BCD) in solution. BCD has 21 reactive sites on each of its molecules. These proportions were based on probability calculations, which predicted that the products should have a minimum of 2 polymerizable substituents and acidic ligand groups on practically every one of the diverse product molecules. Matrix-assisted laser desorption/ionization (MALDI) time of flight (TOF) mass spectrometry (MS) gave valuable information regarding the masses of molecular ions representing the molecules that made up the PCD libraries. For the MALDI-TOF MS analyses, small samples were analyzed by the successive application of 3 solutions to the sample holder: the matrix in acetone, the products in water, and sodium trifluoroacetate in water. The resulting spectra had > 40 envelopes of mass peaks above background. The ionic-abundance peak heights had quasi-Gaussian configurations, with central peaks having masses in the neighborhood of 2000 g/mol (Daltons). Regardless of structural permutations within each peak, the range of these peaks was between about 1500 g/mol and 2900 g/mol. This range of masses was in accord with, but perhaps somewhat more narrow than, that predicted by the statistical method, which was based on equal reactivity of all hydroxyl groups. Analysis by MALDI-TOF MS gave valuable data regarding the masses, structures, and characteristics of the products formed and provided unanticipated information to facilitate improvements in future PCD syntheses.

Topics: Acetone; Anhydrides; beta-Cyclodextrins; Cyclodextrins; Dental Materials; Glutarates; Humans; Hydroxides; Ligands; Methacrylates; Normal Distribution; Polymers; Solvents; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; Trifluoroacetic Acid; Water