Crystal structure of 1,1,3-trimethyl-2-(2-(2,2,6-trimethyl-cyclohexyl)ethyl) cyclohexane, C20H34

C20H34, monoclinic, P12(1)/n1 (no. 14), a = 10.647(l) angstrom, b = 6.6844(9) angstrom, c = 11.723(1) angstrom, beta = 99.75(1)degrees, V = 822.3 angstrom(3) Z = 2, R-gt(F) = 0.043, wR(ref)(F-2) = 0.110, T = 93 K.

Nitrosyl ruthenium complexes with general formula [RuCl3,(NO)(P-P)] (P-P={PPh(2)(CH2)(n)PPh(2)},n=1-3 and {PPh(2)-CH=CH-PPh(2)}). X-ray structure of [RuCl3(NO){PPh(2)(CH2)(3)PPh(2)}]

Ruthenium(II) complexes with general formula [RuCl3(NO)(P-P)] were obtained in the solid state, where P-P = PPh(2)(CH2)(n)PPh(2) (n = 1-3) and PPh(2)-CH = CH-PPh(2). The P-31 NMR spectra of these compounds measured in CH2Cl2 showed only singlets, consistent with a fac configuration containing two equivalent phosphorus atoms, However the X-ray diffraction data show that the [RuCl3(NO){PPh(2)(CH2)(3)PPh(2)}] complex crystallizes in a met configuration, where one of the phosphorus atoms is trans to the NO group, in a slightly distorted octahedral geometry. Copyright (C) 1996 Elsevier B.V. Ltd

Boundary of the rauzy fractal sets in ℝ×ℂgenerated by p(x) = x 4- x 3 - x 2 -x- 1

We study the boundary of the 3-dimensional Rauzy fractal ε ⊂ ℝ×ℂ generated by the polynomial P(x) Dx 4-x 3-x 2-x-1. The finite automaton characterizing the boundary of ε is given explicitly. As a consequence we prove that the set ε has 18 neighboors where 6 of them intersect the central tile ε in a point. Our construction shows that the boundary is generated by an iterated function system starting with 2 compact sets.

Crustal growth in the 3.4-2.7Ga São José de Campestre Massif, Borborema Province, NE Brazil

The Archean (3.45-2.70Ga) rocks of the São José do Campestre Massif (SJCM) in the Borborema Province (NE Brazil) make up a small area (~6000km2) and are composed of granitoids and metasupracrustal rocks that define a complex magmatic and deformational history. The massif provides the opportunity to study mantle- and crustal-derived magmas generated since the Palaeoarchean. The orthogneisses of the SJCM are composed of: (1) tonalite to granodiorite with diorite enclaves (Bom Jesus gneiss, 3412±8Ma; TDM Nd model ages from 4.1 to 3.5Ga and negative epsilon Nd values); (2) biotite and ferroan-diopside monzogranite (Presidente Juscelino complex, 3356±21Ma and 3251±44Ma; TDM model ages range from 4.1 to 3.4Ga and epsilon Nd values that are slightly positive to negative); (3) hornblende tonalite to granodiorite (Brejinho complex, 3333±77Ma and 3187±8Ma; dominantly positive epsilon Nd values and TDM ages from 3.6 to 3.2Ga); (4) biotite monzogranite (São Pedro do Potengi gneiss, 3120±22Ma; TDM =3.5Ga; negative epsilon Nd value); (5) ferroan-diopside-grossular anorthosite and metagabbro (Senador Elói de Souza complex, 3033±3Ma); and (6) quartz diorite to syenogranite (São José do Campestre complex; 2685±9Ma and 2655±4Ma; negative epsilon Nd values and TDM ages from 3.9 to 3.3Ga). The orthogneisses are subalkaline to faintly alkaline, magnesian to ferroan, M- and I-type granitoids that follow either the K-enrichment or the trondhjemite trends. Each group has a subset with REE characteristics similar to Archean TTG and another that is analogous to Phanerozoic granitoids. They have negative Ta-Nb and Ti anomalies and have trace element contents of granitoids from subduction zones. Geochemical and Nd isotope data suggest that subducted oceanic crust and a depleted and metasomatised mantle wedge both acted as the magma sources. We propose a convergent tectonic model in which hybridisation of the upper mantle occurs through interactions with adakitic or trondhjemitic melts and recycling of earlier crust. The results imply that both the subducted oceanic crust and the mantle wedge played major roles in continent formation throughout successive episodes of arc accretion in Palaeo- and Mesoarchean times. The Archean rocks of the SJCM shares some similarities with the Pilbara, Kaapvaal, West African, and São Francisco cratons. However, the most reliable comparisons with the SJCM are with the neighbouring basement of the Nigeria and Cameroon shields. © 2012 Elsevier B.V.

Propriedades varistoras de sistemas a base de 'SN''OIND.2' dopados con 'ZN''O', 'W''OIND.3', 'NBIND.2''OIND.5', 'ALIND.2''OIND.3', 'CRIND.2''OIND.3', 'MN''OIND.2', 'CO''O', 'CU''O', 'V''CLIND.3'

Pós-graduação em Química - IQ

Synthesis and antimycobacterial activity of new pyrazolate-bridged dinuclear complexes of the type [Pd(mu-L)(N-3)(PPh3)](2) (PPh3 = triphenylphosphine; L = pyrazolates)

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

N-Methyl-2-(1-methyl-3-phenyl­prop-2-en-1-yl­idene)hydrazinecarbo­thio­amide

In the title compound, C12H15N3S, the mol­ecule deviates slightly from planarity, with a maximum deviation from the mean plane of the non-H atoms of 0.2756 (6) Å for the S atom and a torsion angle for the N-N-C-N fragment of -7.04 (16)°. In the crystal, mol­ecules are linked by N-H...S hydrogen-bond inter­actions, forming centrosymmetric dimers. Additionally, one weak intra­molecular N-H...N hydrogen-bond inter­action is observed. The crystal packing shows a herringbone arrangement viewed along the c axis.

Refuge Update – March/April 2006, Volume 3, Number 2

Table of Contents: Energy Company Fine Benefits Ottawa Refuge, page 3 Hide and Seek…but Mostly Hide page 4 Focus on …Pollinators, page 10 Great Storytellers, page 18

Monepantel allosterically activates DEG-3/DES-2 channels of the gastrointestinal nematode Haemonchus contortus

Monepantel is the first drug of a new family of anthelmintics, the amino acetonitrile derivatives (AAD), presently used to treat ruminants infected with gastrointestinal nematodes such as Haemonchus contortus. Monepantel shows an excellent tolerability in mammals and is active against multidrug-resistant parasites, indicating that its molecular target is absent or inaccessible in the host and is different from those of the classic anthelmintics. Genetic approaches with mutant nematodes have suggested acetylcholine receptors of the DEG-3 subfamily as the targets of AADs, an enigmatic clade of ligand-gated ion channels that is specific to nematodes and does not occur in mammals. Here we demonstrate direct interaction of monepantel, its major active metabolite monepantel sulfone, and other AADs with potential targets of the DEG-3 subfamily of acetylcholine receptors. H. contortus DEG-3/DES-2 receptors were functionally expressed in Xenopus laevis oocytes and were found to be preferentially activated by choline, to permeate monovalent cations, and to a smaller extent, calcium ions. Although monepantel and monepantel sulfone did not activate the channels by themselves, they substantially enhanced the late currents after activation of the channels with choline, indicating that these AADs are type II positive allosteric modulators of H. contortus DEG-3/DES-2 channels. It is noteworthy that the R-enantiomer of monepantel, which is inactive as an anthelmintic, inhibited the late currents after stimulation of H. contortus DEG-3/DES-2 receptors with choline. In summary, we present the first direct evidence for interaction of AADs with DEG-3-type acetylcholine receptors and discuss these findings in the context of anthelmintic action of AADs.

Comparing pneumococcal conjugate vaccine schedules based on 3 and 2 primary doses: systematic review and meta-analysis

Background Pneumococcal conjugate vaccines (PCV) were first licensed for use with 3 primary doses in infancy and a booster dose. The evidence for the effects of different schedules was examined in this systematic review and meta-analysis. Methods We searched 12 databases and trial registers up to March 2010. We selected randomised controlled trials (RCTs), cohort and case–control studies making direct comparisons between PCV schedules with (2p) or (3p) primary doses, with (+1) or without (+0) a booster dose. We extracted data on clinical, nasopharyngeal carriage and immunological outcomes and used meta-analysis to combine results where appropriate. Results Seropositivity levels (antibody concentration ≥0.35 μg/ml) following 3p and 2p PCV schedules were high for most serotypes (5 RCTs). Differences between schedules were generally small and tended to favour 3p schedules, particularly for serotypes 6B and 23F; between-study heterogeneity was high. Seropositivity levels following 3p+1 and 2p+1 schedules were similar but small differences favouring 3p+1 schedules were seen for serotypes 6B and 23F. We did not identify any RCTs reporting clinical outcomes for these comparisons. In 2 RCTs there was weak evidence of a reduction in carriage of S. pneumoniae serotypes included in the vaccine when 3p+0 schedules were compared to 2p+0 at 6 months of age. Conclusions Most data about the relative effects of different PCV schedules relate to immunological outcomes. Both 3p and 2p schedules result in high levels of seropositivity. The clinical relevance of differences in immunological outcomes between schedules is not known. There is an absence of clinical outcome data from RCTs with direct comparisons of any 2p with any 3p PCV schedule.

Iron(III)-Pivalate-Based Complexes with Tetranuclear {Fe-4(mu(3)-O)(2)}(8+) Cores and N-Donor Ligands: Formation of Cluster and Polymeric Architectures

Different synthetic routes have been used for the preparation of a new tetranuclear [Fe4O2(O2CCMe3)(8)(bpm)] cluster (1) and a one-dimensional coordination polymer [Fe4O2-(O2CCMe3)(8)(hmta)](n) (2) (bpm = 2,2'-bipyrimidine and hmta = hexamethylenetetramine). For cluster 1, two structural isomers, 1a and 1b center dot 3MeCN, have been found. X-ray crystallographic analysis showed that all complexes consist of a central {Fe-4(mu(3)-O)(2)}(8+) core. In 1a, metal ions in the core are additionally linked by six bridging pivalates as two other pivalates and a bpm ligand are chelated to Fe-III ions, whereas in cluster 1b, metal ions in the {Fe-4(mu(3)-O)(2)}(8+) core are linked by seven bridging pivalates and only one carboxylate as well as bpm are chelated to the iron centers. In coordination polymer 2, [Fe4O2(O2CCMe3)(8)] clusters are bridged by hmta ligands to form zigzag chains. Magnetic measurements have been carried out to characterize these complexes and revealed antiferromagnetic interactions between Fe-III ions with best-fit parameters of J(wb) = -72.2 (1a) and -88.7 cm(-1) (1b) for wing...body interactions.