Equating accelerometer estimates among youth: The Rosetta Stone 2.

OBJECTIVES: Different accelerometer cutpoints used by different researchers often yields vastly different estimates of moderate-to-vigorous intensity physical activity (MVPA). This is recognized as cutpoint non-equivalence (CNE), which reduces the ability to accurately compare youth MVPA across studies. The objective of this research is to develop a cutpoint conversion system that standardizes minutes of MVPA for six different sets of published cutpoints. DESIGN: Secondary data analysis. METHODS: Data from the International Children's Accelerometer Database (ICAD; Spring 2014) consisting of 43,112 Actigraph accelerometer data files from 21 worldwide studies (children 3-18 years, 61.5% female) were used to develop prediction equations for six sets of published cutpoints. Linear and non-linear modeling, using a leave one out cross-validation technique, was employed to develop equations to convert MVPA from one set of cutpoints into another. Bland Altman plots illustrate the agreement between actual MVPA and predicted MVPA values. RESULTS: Across the total sample, mean MVPA ranged from 29.7MVPAmind(-1) (Puyau) to 126.1MVPAmind(-1) (Freedson 3 METs). Across conversion equations, median absolute percent error was 12.6% (range: 1.3 to 30.1) and the proportion of variance explained ranged from 66.7% to 99.8%. Mean difference for the best performing prediction equation (VC from EV) was -0.110mind(-1) (limits of agreement (LOA), -2.623 to 2.402). The mean difference for the worst performing prediction equation (FR3 from PY) was 34.76mind(-1) (LOA, -60.392 to 129.910). CONCLUSIONS: For six different sets of published cutpoints, the use of this equating system can assist individuals attempting to synthesize the growing body of literature on Actigraph, accelerometry-derived MVPA.

Presence of Chlamydiales DNA in samples negative by broad-range bacterial 16S rRNA PCRs: new insights into chlamydial pathogenic role.

Since routine eubacterial 16S rRNA PCR does not amplify members of the Chlamydiales order, we tested all samples received in our laboratory during a 10 months period using a pan-Chlamydiales real-time PCR. 3 of 107 samples (2.8%) revealed to be positive, suggesting a role of some Chlamydiales in the pathogenesis of chronic bronchial stenosis or bronchial stenosis superinfection and as agents of orthopaedic prosthesis infections.

Síntese e caracterização de cloro[ácido 2-(difenilfosfino)benzóico]-ouro(I) e alguns de seus derivados

In this contribution a few new gold(I)phosphine complexes, [2-(PPh2)C6H4CO 2H]AuX (where X = Cl, SCN, Br3) and a similar gold(III) derivative [{2-(PPh2)C6H4CO 2H}AuIII Cl (C6H4CH2NMe2 )]Cl have been synthesised and characterised. The phosphine, 2-(diphenylphosphino)benzoic acid, has been employed for the first time in gold chemistry. This ligand is potentially bidentate through bonding of the phosphine and carboxylate groups. The X-ray structure of the complex chloro[2-(diphenylphosphino) benzoic acid]gold(I) has been elucidated and the bond lengths encountered show great similarity to those of chloro(triphenylphosphine)gold(I). [2-(PPh2)C6H4CO 2H]AuCl crystallises in the space group P2(1)/c with a = 9.113(2) Å, b = 10.925(2) Å, c = 23.069(4) Å, beta = 99.95º(3), V = 2299 ų, Z = 4 and R = 0.091. Biological tests for anti-fungal and anti-bacterial activity demostrate that [2-(PPh2)C6H4CO 2H]AuCl exhibits broad spectrum activity against a range of organisms.

Descomposicion termica del diperoxido de pinacolona (3,6-diterbutil-3,6-dimetil-1,2,4,5-tetraoxaciclohexano) en solución de 2-metoxietanol

The thermal decomposition reaction of pinacolone diperoxide (DPP; 0.02 mol kg-1) in 2-methoxyethanol solution studied in the temperature range of 110.0-150.0 °C, follows a first-order kinetic law up to at least 50% DPP conversion. The organic products observed were pinacolone, methane and tert-butane. A stepwise mechanism of decomposition was proposed where the first step is the homolytic unimolecular rupture of the O-O bond. The activation enthalpy and activation entropy for DPP in 2-methoxyethanol were calculated (deltaH# = 43.8 ± 1.0 kcal mol-1 and deltaS# = 31.9 ± 2.6 cal mol-1K-1) and compared with those obtained in other solvents to evaluate the solvent effect.

Utilização de um eletrodo de grafite-epóxi recoberto com [Zn(FEN)3][tetratris(4-clorofenil) borato]2 sensível a zinco(II) em meio 1,10-fenantrolina como eletrodo indicador em titulações potenciométricas de precipitação

The construction and analytical evaluation of a coated graphite-epoxy electrode sensitive to the zinc-1,10-phenantroline complex based on the [Zn(fen)3][tetrakis(4-chlorophenyl)borate]2 incorporated into a poly(vinylchloride) (PVC) matrix are described. A thin membrane film of this ion-pair, dibutylphthalate (DBPh) and PVC were deposited directly onto an electrically conductive graphite-epoxy support located inside a Perspex® tube. The best PVC polymeric membrane contains 65% (m/m) DBPh, 30% (m/m) PVC and 5% (m/m) of the ion-pair. This electrode shows a response of 19.5 mV dec-1 over the zinc(II) concentration range of 1.0 x 10-5 to 1.0 x 10-3 mol L-1 in 1,10-phenantroline medium, at pH 6.0. The response time was less than 20 seconds and the lifetime of this electrode was more than four months (over 1200 determinations by each polymeric membrane). It was successfully used as an indicator electrode in the potentiometric precipitation titration of zinc(II) ions.

Caracterização de 2,2',4,4',6,6'-hexanitroestilbeno via análises instrumentais

2,2',4,4',6,6'-hexanitrostilbene (HNS) is a very important high explosive that is used in a range of military, aerospace and industrial formulations owing to its suitable properties. It is an insensitive and thermaly stable explosive that can be produced from 2,4,6-trinitrotoluene (TNT). This paper shows the characterization of synthesized HNS by different techniques, such as elementary analysis, differential scanning calorimetry (DSC), thermogravimetric analysis (TG), Fourier transform infrared spectroscopy (FT-IR) and through the determination of the heat of combustion in a calorimeter.

Electrical and magnetic properties of new compounds of the conductor anion [Ni(dmit)2]- and nitronyl nitroxide magnetic radicals

Three compounds have been synthesized with formulae [3-MeRad][Ni(dmit)2] (1), [4-MeRad][Ni(dmit)2] (2) and [4-PrRad][Ni(dmit)2] (3) where [Ni(dmit)2]- is an anionic pi-radical (dmit = 1,3-dithiol-2-thione-4,5-dithiolate) and [3-MeRad]+ is 3-N-methylpyridinium alpha-nitronyl nitroxide, [4-MeRad]+ is 4-N-methylpyridinium alpha-nitronyl nitroxide and [4-PrRad]+ is 4-N-propylpyridinium alpha-nitronyl nitroxide. The temperature-dependent magnetic susceptibility of 1 revealed that an antiferromagnetic interaction operates between the 3-MeRad+ radical cations with exchange coupling constants of J1 = - 1.72 cm-1 and antiferromagnetism assigned to the spin ladder chains of the Ni(dmit)2 radical anions. Compound 1 exhibits semiconducting behavior and 3 presents capacitor behavior in the temperature range studied (4 - 300 K).

Sistema d'adquisició de temperatures de 2 canals via R.F.

Poder mesurar i enregistrar diferents tipus de magnituds com pressió, força, temperatura etc. s’ha convertit en una necessitat per moltes aplicacions actuals. Aquestes magnituds poden tenir procedències molt diverses, tals com l’entorn, o poden ser generades per sistemes mecànics, elèctrics, etc. Per tal de poder adquirir aquestes magnituds, s’utilitzen els sistemes d’adquisició de dades. Aquests sistemes, prenen mostres analògiques del món real, i les transformen en dades digitals que poden ser manipulades per un sistema electrònic. Pràcticament qualsevol magnitud es pot mesurar utilitzant el sensor adient. Una magnitud molt utilitzada en sistemes d’adquisició de dades, és la temperatura. Els sistemes d’adquisició de temperatures estan molt generalitzats, i podem trobar-los com a sistemes, on l’objectiu és mostrar les dades adquirides, o podem trobar-los formant part de sistemes de control, aportant uns inputs necessaris per el seu correcte funcionament, garantir-ne l’estabilitat, seguretat etc. Aquest projecte, promogut per l’empresa Elausa, s’encarregarà d’adquirir, el senyal d’entrada de 2 Termoparells. Aquests mesuraran temperatures de circuits electrònics, que es trobaran dintre la càmera climàtica de Elausa, sotmesos a diferents condicions de temperatura, per tal de rebre l’homologació del circuit. El sistema haurà de poder mostrar les dades adquirides en temps real, i emmagatzemar-les en un PC que estarà ubicat en una oficina, situada a uns 30 m de distància de la sala on es farà el test. El sistema constarà d’un circuit electrònic que adquirirà, i condicionarà el senyal de sortida dels termoparells, per adaptar-lo a la tensió d’entrada d’un convertidor analògic digital, del microcontrolador integrat en aquesta placa. Seguidament aquesta informació, s’enviarà a través d’un mòdul transmissor de radiofreqüència, cap al PC on es visualitzaran les dades adquirides. Els objectius plantejats són els següents: - Dissenyar el circuit electrònic d’adquisició i condicionament del senyal. - Dissenyar, fabricar i muntar el circuit imprès de la placa d’adquisició. - Realitzar el programa de control del microcontrolador. - Realitzar el programa per presentar i desar les dades en un PC. - El sistema ha d’adquirir 2 temperatures, a través de Termoparells amb un rang d’entrada de -40ºC a +240ºC - S’ha de transmetre les dades via R.F. Els resultats del projecte han estat satisfactoris i s’han complert els objectius plantejats.

O ressurgimento da química de benzino com sililaril triflatos no contexto das reações de inserção em ligações sigma

In this paper we gathered articles concerning insertion reactions of arynes, exclusively generated from 2-(trimethylsilyl)aryl triflates in the presence of fluoride ions, in substrates bearing nucleophilic and electrophilic portions separated by sigma bonds. Accordingly, we stand out the great importance and versatility of such transformations in the preparation of highly functionalized aromatic systems, which are hardly synthesized in just one step for other methods.

Cloreto de n-(2-hidroxil) propil-3-trimetil amônio quitosana como adsorvente de corantes reativos em solução aquosa

The quaternary chitosan was synthesized by reaction of chitosan with glycidyl trimethylammonium chloride. it was characterized by infrared spectra and conductometric titration. Adsorption of reactive blue 4 (RB4) and reactive red 120 (RR120) by quaternary chitosan was studied from aqueous medium. Two kinetic adsorption models were tested: pseudo first-order and pseudo second-order. The experimental data best fitted the pseudo second-order model. The Langmuir isotherm model provided the best fit to the equilibrium data in the concentration range investigated and the maximum adsorption capacity determined was 415 mg (RR120) and 637 mg (RB4) of reactive dye per gram of adsorbent.

Enzymatic activity of catechol 1,2-dioxygenase and catechol 2,3-dioxygenase produced by Gordonia polyisoprenivorans

This study aimed to evaluate the environmental conditions for enzyme activity of catechol 1,2-dioxygenase (C1,2O) and catechol 2,3-dioxygenase (C2,3O) produced by Gordonia polyisoprenivorans in cell-free and immobilized extracts. The optimum conditions of pH, temperature, time course and effect of ions for enzyme activity were determined. Peak activity of C1,2O occurred at pH 8.0. The isolate exhibited the highest activity of C2,3O at pH 7.0 and 8.0 for the cell-free extract and immobilized extract, respectively. This isolate exhibited important characteristics such as broad range of pH, temperature and time course for enzyme activity.

Synthesis of 1H-benzoxazine-2,4-diones from heterocyclic anhydrides: evaluation of antioxidant and antimicrobial activities

A facile one-step synthesis of 1H-benzoxazine-2,4-diones from heterocyclic anhydrides and TMSA was described. This paper determines their antimicrobial activity against nine human bacterial pathogens by the broth microdilution method; antioxidant activity by DPPH226; inactivation and a ferric-reducing power assay; and toxicity by a brine shrimp, Artemia salina, assay. The 1H-benzoxazine-2,4-dione yields were in the range of 57 to 98%. The novel compound 1H-pyrazino[2,3-][1,3]oxazine-2,4-dione 4c showed the highest antioxidant capacity (DPPH 35.4% and FRAP 0.063 µmol TEs/µmol).

Potentiometric determination of Nickel (II) ion using 2-hydroxy-1-naphthylidene-N-cyanoacetohydrazone as electroactive material

A potentiometric Nickel sensor was prepared using 2-hydroxy-1-naphthylidene-N-cyanoacetohydrazone as electro-active material and epoxy resin as a binding material. A membrane composed of 40% Schiff's base and 60% epoxy resin exhibited the best performance. The membrane showed excellent response in the concentration range of 0.15 ppm to 0.1 mol L- 1 Ni+2 ions with non-Nernstian slope of 22.0 mV/decade, had a rapid response time (less than 10 s), and can be used for three months without any considerable loss of potential. The sensor was useful within the pH range of 1.3 to 9.6, and was able to discriminate between Ni2+ and a large number of alkaline earth and transition metal ions. The practical utility of the sensor has been demonstrated by using it successfully as an indicator electrode in the potentiometric titration of Ni2+ with EDTA and oxalic acid.

UM MÉTODO EFICIENTE PARA A OBTENÇÃO DE DERIVADOS DE 1-ALQUILAMINO-2,4-DINITROBENZENO E A REDUÇÃO REGIOSSELETIVA PARA A OBTENÇÃO DE DERIVADOS DE 1-ALQUILAMINO-2-AMINO-4-NITROBENZENO

Both primary and secondary amines react with 2,4-dinitrochlorobenzene to give derivatives of 1-alkylamino-2,4-dinitrobenzene. These compounds are important intermediates for the synthesis of a diverse range of products. The methodology reported in the present study involves either the room temperature reaction or heating at 70 °C in ethanol in the presence of triethylamine. This transformation occurs via a nucleophilic substitution reaction. The 1-alkylamino-2,4-dinitrobenzene derivatives were obtained in greater than 90% purified yield. The selective reduction of dinitro compounds is an important synthetic strategy for the synthesis of intermediates for dyes, pharmaceuticals and agrochemicals. The use of SnCl2 as a suspension in EtOAc is a promising method for the regio- and chemo-selective reduction of 1-alkylamino-2,4-dinitrobenzenes to 1-alkylamino-2-amino-4-nitrobenzenes. These products are useful intermediates in organic synthesis.