Solvent-mediated self-association of a Horning-crown macrocycle

A member of a new class of novel macrocycles possessing both polyether and phenolic functionalities, forms dimers in both the solid-state and in solution when exposed to chloroform, dichloromethane or toluene, but does not self-associate in the presence of dimethyl sulfoxide.     

Structure-activity relationship of new octaethylporphyrin-based benzochlorins as photosensitizers for photodynamic therapy

An in vitro and in vivo structure-activity relationship study was carried out on a series of benzochlorins with variable lipophilicity. The structural features evaluated in this study include the length of the alkyl or fluoroalkyl groups attached to the six-member exocyclic ring either by an ether or by a carbon-carbon bond. In preliminary in vitro (radiation-induced fibrosarcoma [RIF] cells) and in vivo screening (C3H mice, bearing RIF tumors), all Zn (II) benzochlorins were found to be effective. However, benzochlorins bearing alkyl groups with carbon-carbon bonds showed enhanced efficacy compared with the related alkyl ether analogs. A comparative intracellular localization study of the newly synthesized benzochlorins with Rhodamine-123 indicated that the effective photosensitizers localize in mitochondria, and a displacement study with PK11195 showed their partial affinity for the peripheral benzodiazepine receptor (PBR). Interestingly, compared with the Zn(II) benzochlorin that was found to be quite effective in vivo, the corresponding free-base analog produced less photosensitizing activity and was found to localize in lysosomes. A comparative study with dansyl-proline confirmed the binding of the effective benzochlorins to Site II of human serum albumin (HSA). However, no direct correlation was observed between the binding constant values (to HSA or to PBR) of benzochlorins and their photosensitizing ability.     

Direct preparation of monoarylidene derivatives of aldehydes and enolizable ketones with DIMCARB

[reaction: see text] Aryl alpha,beta-unsaturated ketones and aldehydes were synthesized, in moderate to excellent yields, with use of dimethylammonium dimethyl carbamate (DIMCARB) as a recyclable reaction medium and as a catalyst.     

Hydrothermal synthesis of [Mn(HTPO)(BIPY)] (H3TPO = tris-(4-carboxylphenyl)phosphine oxide): a crosslinked coordination polymer

The hydrothermal synthesis and crystal structure of the title compound is reported. The structure consists of 1-D looped chains with the HTPO ligand binding through the phosphoryl and two carboxylate oxygens to manganese atoms. The carboxylic acid group is hydrogen bonded to adjacent chains forming a 2-D hydrogen bonded network. The crystals are triclinic and the space group isP-1 with a = 11.6767(8) Å, b = 10.8680(8) Å and c = 11.4232(87rpar; Å = 92.301(2)°, = 106.932(2)° and = 103.2390(10)° V = 1341.02(16) ų; Z = 2.     

Identifying the underlying structure and dynamic interactions in a voting network

We analyse the structure and behaviour of a specific voting network using a dynamic structure-based methodology which draws on Q-Analysis and social network theory. Our empirical focus is on the Eurovision Song Contest over a period of 20 years. For a multicultural contest of this kind, one of the key questions is how the quality of a song is judged and how voting groups emerge. We investigate structures that may identify the winner based purely on the topology of the network. This provides a basic framework to identify what the characteristics associated with becoming a winner are, and may help to establish a homogenous criterion for subjective measures such as quality. Further, we measure the importance of voting cliques, and present a dynamic model based on a changing multidimensional measure of connectivity in order to reveal the formation of emerging community structure within the contest. Finally, we study the dynamic behaviour exhibited by the network in order to understand the clustering of voting preferences and the relationship between local and global properties.     

Remediation of <Superscript>137</Superscript>Cs radionuclide in nuclear waste effluents by polymer composite: adsorption kinetics,isotherms and gamma irradiation studies

Polypyrrole is incorporated with activated carbon in large size dopant solution and investigated for ¹³⁷Cs removal studies. Adsorption experiments showed optimum conditions within 240 min contact time, pH 6, 0.2 g adsorbent and?≤?100 mg/l adsorbate dose, respectively, while the kinetic data followed pseudo-first-order model. Isotherm data were reproducible by the Langmuir isotherm yielding 23 mg/g maximum sorption capacity. Regeneration of adsorbent was attempted and indicated promising results within three cycles. The surface behavior has also been examined and revealed a well-ordered structure under gamma irradiation. This is a cheap adsorbent to consider and has also proven to possess higher sorption capacity than most highly-cost inorganic materials in use.     

4-Iodo-2-methyl-5-nitro­aniline exhibits neither strong hydrogen bonding nor intermolecular I⃛nitro interactions

In the title compound, C₇H₇IN₂O₂, the O atoms of the nitro group are disordered over two sets of sites and there is evidence that the intramolecular I⃛nitro interaction is repulsive. In the crystal structure, there are neither strong hydrogen bonds, nor intermolecular I⃛nitro interactions, nor aromatic π–π-stacking interactions.