Sorption and Isomerselective Properties of Binary Sorbent Based on Supramolecular 4-(3-Hydroxypropyloxy)-4'-Formylazobenzene Liquid Crystal and Partially Methylated β-Cyclodextrin

The sorption and selective properties of a composite sorbent based on the supramolecular liquid crystal 4-(3-hydroxypropyloxy)-4'-formylazobenzene (HPOFAB) and partially methylated β-cyclodextrin heptakis-(2,6-di-O-methyl)-β-cyclodextrin (Me2,6-β-CD) have been studied by inverse gas chromatography. The standard thermodynamic functions of sorption on the smectic A phase of the sorbent for 29 volatile organic compounds of different classes were determined and compared with similar functions obtained on a column with “pure” HPOFAB. The reasons for the increase in the retention of all studied compounds (except for the optical isomers of butanediol-2,3) when Me2,6-β-CD (10 wt. %) added to HPOFAB are discussed. It was found that the mixed SA phase of the binary sorbent in conditions of gas-liquid chromatography has moderate values of structural selectivity and enantioselectivity to both low-polar terpene hydrocarbons and polar optical isomers (butanediols-2,3).

Novel Face Index for Benzenoid Hydrocarbons

A novel topological index, the face index ( F I ), is proposed in this paper. For a molecular graph G, face index is defined as F I ( G ) = ∑ f ∈ F ( G ) d ( f ) = ∑ v ∼ f , f ∈ F ( G ) d ( v ) , where d ( v ) is the degree of the vertex v. The index is very easy to calculate and improved the previously discussed correlation models for π - e l e c t r o n energy and boiling point of benzenoid hydrocarbons. The study shows that the multiple linear regression involving the novel topological index can predict the π -electron energy and boiling points of the benzenoid hydrocarbons with correlation coefficient r > 0.99 . Moreover, the face indices of some planar molecular structures such as 2-dimensional graphene, triangular benzenoid, circumcoronene series of benzenoid are also investigated. The results suggest that the proposed index with good correlation ability and structural selectivity promised to be a useful parameter in QSPR/QSAR.

Directed evolution of artificial repeat proteins as habit modifiers for the morphosynthesis of (111)-terminated gold nanocrystals

Artificial repeat proteins are selected by directed evolution for their high chemical affinity for gold and structural selectivity for (111) facets. The proteins chaperone the growth of (111)-terminated nanocrystals and form a functional shell.

Effects of Different Variables on the Formation of Mesopores in Y Zeolite by the Action of CTA+ Surfactant

Zeolites are microporous crystalline aluminosilicates with a number of useful properties including acidity, hydrothermal stability, and structural selectivity. However, the exclusive presence of micropores restricts diffusive mass transport and reduces the access of large molecules to active sites. In order to resolve this problem, mesopores can be created in the zeolite, combining the advantages of microporous and mesoporous materials. In this work, mesospores were created in the Ultrastable USY zeolite (silicon/aluminum ratio of 15) using alkaline treatment (NaOH) in the presence of cetyltrimethylammonium bromide surfactant, followed by hydrothermal treatment. The effects of the different concentrations of NaOH and the surfactant on the textural, chemical, and morphological characteristics of the modified zeolites were evaluated. Generating mesoporosity in the USY zeolite was possible through the simultaneous presence of surfactant and alkaline solution. Among the parameters studied, the concentration of the alkaline medium had the greatest influence on the textural properties of the zeolites. The presence of Cetyltrimethylammonium Bromide (CTA+) prevented the amorphization of the structure during the modification and also avoided desilication of the zeolite.

A high-throughput fluorescent indicator displacement assay and principal component/cluster data analysis for determination of ligand-nucleic acid structural selectivity

ABSTRACTWe describe a high-throughput fluorescence indicator displacement assay (HT-FID) to evaluate the affinity and the selectivity of compounds binding to different DNA structures. We validated the assay using a library of 30 well-known nucleic acid binders containing a variety chemical scaffolds. We used a combination of principal component analysis and hierarchical clustering analysis to interpret the results obtained. This analysis classified compounds based on selectivity for AT-rich, GC-rich and G4 structures. We used the FID assay as a secondary screen to test the binding selectivity of an additional 20 compounds selected from the NCI diversity set III library that were identified as G4 binders using a thermal shift assay. The results showed G4 binding selectivity for only a few of the 20 compounds. Overall, we show that this HT-FID assay, coupled with PCA and HCA, provides a useful tool for the discovery of ligands selective for particular nucleic acid structures.