Novel experimental setup for time-of-flight mass spectrometry ion detection in collisions of anionic species with neutral gas-phase molecular targets

8 págs.; 4 figs.; Open Access funded by Creative Commons Atribution Licence 4.0We report a novel experimental setup for studying collision induced products resulting from the interaction of anionic beams with a neutral gas-phase molecular target. The precursor projectile was admitted into vacuum through a commercial pulsed valve, with the anionic beam produced in a hollow cathode discharge-induced plasma, and guided to the interaction region by a set of deflecting plates where it was made to interact with the target beam. Depending on the collision energy regime, negative and positive species can be formed in the collision region and ions were time-of-flight (TOF) mass-analysed. Here, we present data on O2 precursor projectile, where we show clear evidence of O– and O2 – formation from the hollow cathode source as well as preliminary results on the interaction of these anions with nitromethane, CH3NO2. The negative ions formed in such collisions were analysed using time-of-flight mass spectrometry. The five most dominant product anions were assigned to H–, O–, NO–, CNO– and CH3NO2 –.PLV acknowledges the Portuguese Foundation for Science and Technology (FCT-MEC) through SFRH/BSAB/105792/ 2014 during his sabbatical stay at CSIC, Madrid and the research grants PTDC/FIS-ATO/1832/2012 and UID/FIS/00068/ 2013. FFS acknowledges FCT-MEC through researcher grant IF-FCT IF/00380/2014. We also acknowledge the Spanish Ministerio de Economía y Competitividad (Project No. FIS 2012-31230). Some of this work forms part of the EU/ESF COST Actions CM1401 and CM1301, Our Astro-Chemical History and Chemistry for Electron-Induced Nanofabrication, respectively. LE-G and GG acknowledge the FP7-PEOPLE-2013-ITN research grant “Advanced Radiotherapy, Generated by Exploiting Nanoprocesses and Technologies (ARGENT)”.Peer Reviewe

Quantification and distribution of vibrio species in water from an estuary in Ceará-Brazil impacted by shrimp farming

Vibrios were quantified and their distribution determined for the estuary of the Coreaú river, in Northeastern Brazil, based on 24 water samples collected between June and October 2005. The most probable number of vibrios per 100 mL ranged from 230 x 10³ to 240 x 10(11). The pH value was the environmental factor most strongly associated with the abundance of vibrios. Sixty-two vibrio strains were isolated belonging to 15 species (6 of which observed in June-September and 8 in October). The most frequently isolated species were V. parahaemolyticus and V. cholerae.Foram realizadas análises concernentes à quantificação e distribuição de Vibrio em 24 amostras de água do estuário do Rio Coreaú (CE) no período de junho a novembro de 2005. O Número Mais Provável (NMP/100 mL) de Vibrio oscilou de 230 x 10³ a 240 x 10(11). O pH foi o fator ambiental que mais favoreceu ao aumento da microbiota de Vibrio. Foram isoladas 62 cepas de Vibrio, sendo observada uma distribuição de sete espécies nos meses de junho a setembro, e oito espécies no mês de outubro. As espécies mais freqüentes nos isolamentos foram V. parahaemolyticus e V. cholerae

Influência do número de camadas na propriedade mecânica de espécimes fabricados com atadura gessada usados para confeccionar splints ortopédicos

OBJECTIVE: To evaluate the effects of varying numbers of layers of plaster of Paris bandages on the mechanical properties of specimens used on the construction of orthopedic splints. METHODS: Rectangular plate-shaped and cylinder-shaped specimens were constructed and assigned to two groups simulating plaster slabs and cast and further divided into six subgroups according to the number of layers used: 3, 6, 8, 10, 12 and 14 layers. The specimens were subjected to either a three-point bending test (plates/slab) or compressive strength test (cylinders/cast). The following mechanical properties were evaluated: maximum load, elastic limit load and stiffness. Specimen weight was also calculated. Data was analyzed using Kruskal-Wallis and the least significant difference (LSD) tests. RESULTS: Pairwise comparisons of the subgroups 10x12 and 10x14 revealed significant differences for all mechanical properties (p<0.05). The results of this study suggest that when the goal is to construct appliances with high mechanical strength, regardless of weight, such as serial plaster slabs splints for stimulating tissue growth through the application of gradual load, splints made with plaster of Paris bandages with 12 or 14 layers should be preferred. For orthotic devices such as positioning orthotics, the use of 10 layers plaster bandages slab splints is advisable as they were found to have better correlation between mechanical strength and weight in comparison to those made wtih 6 or 8 layers. CONCLUSION: Based on the findings of this study, we suggest the use of 10 layers of plaster of Paris for the construction of orthopedic splints.OBJETIVO: Avaliar as propriedades mecânicas de amostras fabricadas a partir de ataduras de gesso que são utilizadas em órteses ortopédicas e que variam quanto ao número de camadas. MÉTODOS: Foram confeccionados espécimes em forma de placa retangular e em forma cilíndrica, divididos em dois grupos que simulavam splint e gesso circular, os quais foram divididos em seis subgrupos de acordo com o número de camadas utilizadas, ou seja, três, seis, oito, dez, 12 e 14 camadas. Os espécimes foram submetidos a um teste de inclinação de três pontos (placas/splint) ou teste de resistência à compressão (cilindros/gesso circular). As seguintes propriedades mecânicas foram avaliadas: carga máxima e carga no limite de elasticidade e rigidez. O peso da amostra foi calculado. Os dados foram analisados estatisticamente pelos testes de Kruskal-Wallis e diferença mínima significativa (DMS). Comparações pareadas entre os subgrupos 10x12 e 10x14 revelaram diferenças significativas para todas as propriedades mecânicas (p<0,05). RESULTADOS: Os resultados sugerem que, quando o objetivo é construir aparelhos com alta resistência mecânica, independente do peso, tais como órteses seriadas de posicionamento para simular força gradual aplicada no tecido para a melhoria da amplitude de movimento, talas de 12 ou 14 camadas devem ser preferidas. Para os aparelhos ortopédicos que irão ser submetidos a esforços de baixa intensidade, aconselha-se a utilização de dez camadas para as órteses, porque houve uma melhor correlação entre a resistência mecânica e peso para as amostras fabricadas com dez camadas de atadura gessada comparadas com aquelas confeccionadas com seis ou oito camadas. CONCLUSÂO: Baseado nos achados deste estudo, sugere-se a utilização de dez camadas na confecção de órteses ortopédicas

Differential cross sections for the electron impact excitation of pyrimidine

We report on differential cross section (DCS) measurements for the electron-impact excitation of the electronic states of pyrimidine. The energy range of the present measurements was 15–50 eV with the angular range of the measurements being 10°–90°. All measured DCSs displayed forward-peaked angular distributions, consistent with the relatively large magnitudes for the dipole moment and dipole polarizability of pyrimidine. Excitations to triplet states were found to be particularly important in some energy loss features at the lower incident electron energies. To the best of our knowledge there are no other experimental data or theoretical computations against which we can compare the present results

Determination of catechin in green tea using a catechol oxidase biomimetic sensor

A catechol oxidase biomimetic sensor, based on a novel copper(II) complex, was developed for the determination of catechin in green tea and the results were compared with those obtained by capillary electrophoresis. The dinuclear copper(II) complex, [Cu2(HL)(µ-CH3COO)](ClO4), containing the ligand N,N-[bis-(2-pyridylmethyl)]-N',N'-[(2-hydroxybenzyl)(2-hydroxy-3,5-di-tert-butylbenzyl)]-1,3-propanediamine-2-ol (H3L), was synthesized and characterized by IR, ¹H NMR and elemental analysis. The best conditions for the optimization of the biomimetic sensor were established by square wave voltammetry. The best performance for this sensor was obtained in 75:15:10% (m/m/m) of the graphite powder:nujol:copper(II) complex, 0.05 mol L-1 phosphate buffer solution (pH 7.5) and frequency, pulse amplitude, scan increment at 30 Hz, 80 mV, 3.3 mV, respectively. The analytical curve was linear in the concentration range 4.95 × 10-6 to 3.27 × 10-5 mol L-1 (r = 0.9993) with a detection limit of 2.8 × 10-7 mol L-1. This biomimetic sensor demonstrated long-term stability (9 months; 800 determinations) and reproducibility with a relative standard deviation of 3.5%. The recovery of catechin from green tea samples ranged from 93.8 to 106.9% and the determination, compared with that obtained using capillary electrophoresis, was found to be acceptable at the 95% confidence level

Electron-scattering cross sections for collisions with tetrahydrofuran from 50 to 5000 eV

In this paper, we report on total electron tetrahydrofuran (C4H8O) scattering cross-section measurements for energies in the range from 50 to 5000 eV with experimental errors of about 5%. In addition, integral elastic and inelastic cross sections have been calculated over a broad energy range (1–10 000 eV), with an optical potential method assuming a screening-corrected independent atom representation. Partial and total ionization cross sections have been also obtained by combining simultaneous electron and ion measurements with a time-of-flight analysis of the ionic induced fragmentation. Finally, an average energy distribution of secondary electrons has been derived from these measurements in order to provide data for modeling electron-induced damage in biomolecular systems

Oral implant osseointegration model in C57Bl/6 mice: microtomographic, histological, histomorphometric and molecular characterization

Despite the successful clinical application of titanium (Ti) as a biomaterial, the exact cellular and molecular mechanisms responsible for Ti osseointegration remains unclear, especially because of the limited methodological tools available in this field. Objective: In this study, we present a microscopic and molecular characterization of an oral implant osseointegration model using C57Bl/6 mice. Material and Methods: Forty-eight male wild-type mice received a Ti implant on the edentulous alveolar crest and the peri-implant sites were evaluated through microscopic (μCT, histological and birefringence) and molecular (RealTimePCRarray) analysis in different points in time after surgery (3, 7, 14 and 21 days). Results: The early stages of osseointegration were marked by an increased expression of growth factors and MSC markers. Subsequently, a provisional granulation tissue was formed, with high expression of VEGFb and earlier osteogenic markers (BMPs, ALP and Runx2). The immune/inflammatory phase was evidenced by an increased density of inflammatory cells, and high expression of cytokines (TNF, IL6, IL1) chemokines (CXCL3, CCL2, CCL5 and CXC3CL1) and chemokine receptors (CCR2 and CCR5). Also, iNOS expression remained low, while ARG1 was upregulated, indicating predominance of a M2-type response. At later points in time, the bone matrix density and volume were increased, in agreement with a high expression of Col1a1 and Col21a2. The remodelling process was marked by peaks of MMPs, RANKL and OPG expression at 14 days, and an increased density of osteoclasts. At 21 days, intimate Ti/bone contact was observed, with expression of final osteoblast differentiation markers (PHEX, SOST), as well as red spectrum collagen fibers. Conclusions: This study demonstrated a unique molecular view of oral osseointegration kinetics in C57Bl/6 mice, evidencing potential elements responsible for orchestrating cell migration, proliferation, ECM deposition and maturation, angiogenesis, bone formation and remodeling at the bone-implant interface in parallel with a novel microscopic analysis

Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

13 págs.; 8 figs.; 6 tabs.We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (CHO). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of CHO. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10°and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail. ©2016 AIP Publishing LLCR.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCTMEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP.Peer Reviewe