Coprime commutators in PSL(2, q)

We show that every element of PSL(2, q) is a commutator of elements of coprime orders. This is proved by showing first that in PSL(2, q) any two involutions are conjugate by an element of odd order.     

The congruence subgroup problem for branch groups

We state and study the congruence subgroup problem for groups acting on rooted trees, and for branch groups in particular. The problem is reduced to the computation of the congruence kernel, which we split into two parts: the branch kernel and the rigid kernel. In the case of regular branch groups, we prove that the first one is abelian while the second has finite exponent. We also establish some rigidity results concerning these kernels.     

12-hydroxy-1-azaperylene-limiting case of the ESIPT system: enol-keto tautomerization in S0 and S1 states

Absorption, fluorescence, and fluorescence excitation spectra of 12-hydroxy-1-azaperylene (HAP) and 1-azaperylene were studied in n-alkane matrices at 5 K. Two stable tautomers of HAP, each of them in n-nonane embedded in two sites, were identified and attributed to the enol and keto forms. Theoretical calculations of the energy and vibrational structure of the spectra suggest that tautomer A, with the (0, 0) transition energy at 18,980 ± 10 cm(-1) (and 19,060 ± 10 cm(-1) in the high energy site), should be identified as the keto form, whereas tautomer B, with the (0, 0) energy at 19,200 ± 20 cm(-1) (19,290 ± 20 cm(-1)), as the enol form. Observation of absorption and fluorescence of both tautomeric forms and lack of large Stokes shift of fluorescence of the keto form classify HAP as the limiting case of the excited-state intramolecular proton transfer system.     

Facile preparation of amine and amino acid adducts of [60]fullerene using chlorofullerene C60Cl6 as a precursor

We report a general synthetic approach to the preparation of highly functionalized amine and amino acid derivatives of [60]fullerene starting from readily available chlorofullerene C(60)Cl(6). The synthesized water-soluble amino acid derivative of C(60) demonstrated pronounced antiviral activity, while the cationic amine-based compound showed strong antibacterial action in vitro.     

Investigating the spectrum of biological activity of substituted quinoline-2-carboxamides and their isosteres

In this study, a series of thirty-five substituted quinoline-2-carboxamides and thirty-three substituted naphthalene-2-carboxamides were prepared and characterized. They were tested for their activity related to the inhibition of photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. Primary in vitro screening of the synthesized compounds was also performed against four mycobacterial species. N-Cycloheptylquinoline-2-carboxamide, N-cyclohexylquinoline-2-carboxamide and N-(2-phenylethyl)quinoline-2-carboxamide showed higher activity against M. tuberculosis than the standards isoniazid or pyrazinamide and 2-(pyrrolidin-1-ylcarbonyl)quinoline and 1-(2-naphthoyl)pyrrolidine expressed higher activity against M. kansasii and M. avium paratuberculosis than the standards isoniazid or pyrazinamide. The most effective antimycobacterial compounds demonstrated insignificant toxicity against the human monocytic leukemia THP-1 cell line. The PET-inhibiting activity expressed by IC(50) value of the most active compound N-benzyl-2-naphthamide was 7.5 μmol/L. For all compounds, the structure-activity relationships are discussed.     

Regioselective ipso-nitration of calix[4]arenes

A novel protection/deprotection method leading to the regioselective ipso-substitution of calix[4]arenes is described. The introduction of nosyl (p-nitrobenzenesulfonyl) groups into the lower rim of partly alkylated tert-butylcalix[4]arenes leads subsequently to the exclusive ipso-nitration of the alkylated phenol rings, while the protecting groups can be easily removed in the next step. This method gives dialkoxy- or trialkoxy-substituted calix[4]arenes with nitro groups on the alkylated rings and tert-butyl groups on the remaining ones. The above substitution pattern is complementary to the isomers so far known in the chemistry of calix[4]arenes and could be used in the design of novel type of calixarene-based receptors.     

The application of an in vitro gastrointestinal extraction to assess the oral bioaccessibility of polycyclic aromatic hydrocarbons in soils from a former industrial site

The total and bioaccessible concentration of 16 polycyclic aromatic hydrocarbons (PAHs) in soil from a former industrial site was investigated. Typical total concentrations across the sampling sites ranged from 1.5 mg kg⁻¹ for acenaphthylene up to 243 mg kg⁻¹ for fluoranthene. The oral bioaccessibility of PAHs in soil was assessed using an in vitro gastrointestinal extraction (Fed Organic Estimation human Simulation Test, FOREhST method). The oral bioaccessibility data indicated that fluorene, phenanthrene, chrysene, indeno(1,2,3-cd)pyrene and dibenzo(a,h)anthracene had the highest % bioaccessible fraction (based on their upper 75th percentile values being >60%) while the other PAHs had lower % bioaccessible fractions (means ranging between 35 and 59%). Significantly lower bioaccessibilities were determined for naphthalene. With respect to method validation and inter-laboratory comparison, the total and bioaccessible concentrations of benzo(a)anthracene, benzo(b)anthracene, benzo(k)fluoranthene, benzo(a)pyrene, indeno(1,2,3-cd)pyrene and dibenzo(a,h)anthracene was compared to published data derived using the same samples. The total PAH concentrations at the site were compared with generic assessment criteria (GAC) using the residential land use scenario (with plant uptake at 6% soil organic matter). Concentrations of 7 of the PAHs investigated within the soils could lead to an unacceptable risk to human health at this site.     

Fluorescence-based active site probes for profiling deubiquitinating enzymes

Novel ubiquitin-based active site probes including a fluorescent tag have been developed and evaluated. A new, functionalizable electrophilic trap is utilized allowing for late stage diversification of the probe. Attachment of fluorescent dyes allowed direct detection of endogenous deubiquitinating enzyme (DUB) activities in cell extracts by in-gel fluorescence imaging.     

Design and synthesis of a bivalent ligand to explore the putative heterodimerization of the mu opioid receptor and the chemokine receptor CCR5

The bivalent ligand approach has been utilized not only to study the underlying mechanism of G protein-coupled receptors dimerization and/or oligomerization, but also to enhance ligand affinity and/or selectivity for potential treatment of a variety of diseases by targeting this process. Substance abuse and addiction have made both the prevention and the treatment of human immunodeficiency virus (HIV) infection more difficult to tackle. Morphine, a mu opioid receptor (MOR) agonist, can accelerate HIV infection through up-regulating the expression of the chemokine receptor CCR5, a well-known co-receptor for HIV invasion to the host cells and this has been extensively studied. Meanwhile, two research groups have described the putative MOR-CCR5 heterodimers in their independent studies. The purpose of this paper is to report the design and synthesis of a bivalent ligand to explore the biological and pharmacological process of the putative MOR-CCR5 dimerization phenomenon. The developed bivalent ligand thus contains two distinct pharmacophores linked through a spacer; ideally one of which will interact with the MOR and the other with the CCR5. Naltrexone and Maraviroc were selected as the pharmacophores to generate such a bivalent probe. The overall reaction route to prepare this bivalent ligand was convergent and efficient, and involved sixteen steps with moderate to good yields. The preliminary biological characterization showed that the bivalent compound 1 retained the pharmacological characteristics of both pharmacophores towards the MOR and the CCR5 respectively with relatively lower binding affinity, which tentatively validated our original molecular design.