Exploring new molecular species on the (1)[H, Se, F] singlet potential energy surface: Energetics, structures, IR spectra, and heats of formation

Structural, energetic, and vibrational properties of new molecular species, HSeF and HFSe, the associated transition state, and dissociation fragments are investigated using a state-of-the-art theoretical approach, CCSD(T)/CBS. HSeF is a normal covalently bonded molecule 38.98 kcal mol (1) more stable than the complex HF-Se, which shows an unusual structure with a central fluorine atom and a bond angle of 101.8 degrees.A barrier (Delta G(#)) of 49.01 kcal mol (1) separates the two species. Vibrational frequencies are also quite distinct. Heats of formation are evaluated for the diatomic fragments and HSeF. Final Delta(f)H values depend on the experimental accuracy of those of Se(g) and H(2)Se. (c) 2009 Elsevier B.V. All rights reserved.

Feasibility of using in situ fusion for the determination of Co, Cr and Mn in Portland cement by direct solid sampling graphite furnace atomic absorption spectrometry

In situ fusion on the boat-type graphite platform has been used as a sample pretreatment for the direct determination of Co, Cr and Mn in Portland cement by solid sampling graphite furnace atomic absorption spectrometry (SS-GF AAS). The 3-field Zeeman technique was adopted for background correction to decrease the sensitivity during measurements. This strategy allowed working with up to 200 mu g of sample. The in situ fusion was accomplished using 10 mu L of a flux mixture 4.0% m/v Na(2)CO(3) + 4.0% m/v ZnO + 0.1% m/v Triton (R) X-100 added over the cement sample and heated at 800 degrees C for 20 s. The resulting mould was completely dissolved with 10 mu L of 0.1% m/v HNO(3). Limits of detection were 0.11 mu g g(-1) for Co, 1.1 mu g g(-1) for Cr and 1.9 mu g g(-1) for Mn. The accuracy of the proposed method has been evaluated by the analysis of certified reference materials. The values found presented no statistically significant differences compared to the certified values (Student`s t-test, p<0.05). In general, the relative standard deviation was lower than 12% (n = 5). (C) 2009 Elsevier B.V. All rights reserved.

Direct determination of iron in sand using solid sampling graphite furnace atomic absorption spectrometry

A fast and reliable method for the direct determination of iron in sand by solid sampling graphite furnace atomic absorption spectrometry was developed. A Zeeman-effect 3-field background corrector was used to decrease the sensitivity of spectrometer measurements. This strategy allowed working with up to 200 mu g of samples, thus improving the representativity. Using samples with small particle sizes (1-50 mu m) and adding 5 mu g Pd as chemical modifier, it was possible to obtain suitable calibration curves with aqueous reference solutions. The pyrolysis and atomization temperatures for the optimized heating program were 1400 and 2500 degrees C, respectively. The characteristic mass, based on integrated absorbance, was 56 pg, and the detection limits, calculated considering the variability of 20 consecutive measurements of platform inserted without sample was 32 pg. The accuracy of the procedure was checked with the analysis of two reference materials (IPT 62 and 63). The determined concentrations were in agreement with the recommended values (95% confidence level). Five sand samples were analyzed, and a good agreement (95% confidence level) was observed using the proposed method and conventional flame atomic absorption spectrometry. The relative standard deviations were lower than 25% (n = 5). The tube and boat platform lifetimes were around 1000 and 250 heating cycles, respectively.

FT-Raman investigation of biodegradable polymers: Poly(3-hydroxybutyrate) and poly(3-hydroxybutyrate-co-3-hydroxyvalerate)

This work presents a FT-Raman study (lambda(0) = 1064 nm) of naturally occurring polyester poly[(R)-3-hydroxybutyrate] (PHB) and its copolymer poly[(R)-3-hydroxybutyrate-co-(R)-3-hydroxyvalerate] (PHBV) with 5,8 and 12 mol % of HV (hydroxyvalerate). The FT-Raman spectra of films indicate that full width at half height of the band centered at 1725 cm(-1) and relative intensity of bands at 1443 and 1458 cm(-1) can be use to estimate the crystalline degree in film samples. The similarity between Raman spectra of molten PHB and PHBV and theirs CDCl(3) solutions suggested that molten polymers present similar conformation than polymers in solution. Raman data of these samples showed that bands at 1220, 1402, 1725, 2998 and 3009 cm(-1) are due to crystalline helical structure and the bands at 1453, 1740, 2881, 2938 and 2990 cm(-1) are originated from disordered domains. It is shown that composition of PHBV samples can be estimated by analyzing the ratio of the intensity of the bands at 2938 cm(-1) (nu C-H) and 1740 cm(-1) (nu C=O) in the spectra of solutions and of bands at 1354 (wCH(2)) and 1740 cm(-1) (nu C=O) in spectra of molten polymers. (C) 2010 Elsevier B.V. All rights reserved.

Chitosan, sisal cellulose, and biocomposite chitosan/sisal cellulose films prepared from thiourea/NaOH aqueous solution

Environmentally friendly biocomposites were successfully prepared by dissolving chitosan and cellulose in a NaOH/thiourea solvent with subsequent heating and film casting. Under the considered conditions, NaOH/thiourea led to chain depolymerization of both biopolymers without a dramatic loss of film forming capacities. Compatibility of both biopolymers in the biocomposite was firstly assessed through scanning electron microscopy, revealing an intermediate organization between cellulose fiber network and smoothness of pure chitosan. DSC analyses led to exothermic peaks close to 285 and 315 degrees C for the biocomposite, compared to the exothermic peaks of chitosan (275 degrees C) and cellulose (265 and 305 degrees C), suggesting interactions between chitosan and cellulose. Contact angle analyses pointed out the deformation that can occur at the surface due to the high affinity of the;e materials with water. T(2) NMR relaxometry behavior of biocomposites appeared to be dominated by chitosan. Other properties of films, as crystallinity, water sorption isotherms, among others, are also discussed. (C) 2010 Published by Elsevier Ltd.

Movies, Mind and Meaning : Studying Audience and Favourite Films

Construction of identity and meaning is becoming increasingly important in both media studies and religion scholarship. (Lövheim, 2004) Meaning construction outside traditional religion has become more interesting for religious studies and what individuals in the audience do with all messages circulated through media in everyday life has attended increasing interest within media studies (Stout and Buddenbaum, 2001). Motion pictures, soap operas and advertising are all examples of media contents which generate ideas among its audience which to a various degree are used as resources within the construction of identity (Jansson, 2001). The investigation of what modern humankind’s world views look like and what components they are composed of, in this context seems to be an important topic of investigation (Holm and Björkqvist, 1996). The ways in which the development of media has effected the daily lives of individuals is interest as is the nature of the self and the ways in which the process of self-formation is affected by the profusion of mediated materials (Thompson, 1995). Film and religion are my interest within this larger frame. The topic is not exactly new but the combination of film and religion has during the last ten years resulted in a rapidly growing number of books by scholars interested in this field (Lyden, 2003). One growing focus is on the role that films can and do play within the emerging and developing valuesystem of people in the West today (Marsh, 2004). The British theologian Clive Marsh’s point of departure is very similar to my own. Viewers bring to a film life-experience, immediate concerns and worldviews and the exploration of this interplay between movies and the interpreting process of meaning making is the very focus in this paper. Theoretically, the semeiological model of Alf Linderman is combined with cultural cognitive approaches used by a number of Scandinavian media scholars developing perspectives in audience theory (Linderman, 1996, Höijer and Werner, 1998). 13 individuals, their favourite movie and what it means to them in their life My aim is to examine how individuals comprehend film and what the meaning process look like. In this paper I present the outcome of 13 interviews with young people about their favourite film. I suggest how it is possible to interpret how they interrelate film comprehension with their personal beliefs and their culturally constructed worldview from a sociocognitive point of view. Examples of films chosen range from Disneys Lion King (1994), sciencefiction and fantasy successes like The Matrix (1999) and Lord of the Rings (2001) or the next best movie ever according to www.IMdb.com The Shawshank Redemption (1994) as well as the Swedish blockbuster Så som i himmelen (2004), aka “As in Heaven”.

Ed Tilin, Specialist Product Service, General Electric Company

Ed Tilin a graduate of the New York Trade School's Advanced Television program is pictured here as part of the General Electric Company. Original caption reads, "Ed Tilin - Advanced Television 1954, joined G.E. in 1956 and has risen rapidly. He now supervises all television product service, product training and consumer relations activities for the New York district. He is a member of the exemtive [sic] board of CETA (Certified Electronic Technicians Association). Black and white photograph with original caption glued to reverse.

Classroom of students watching demonstration of closed-circuit TV

Students watch monitors that show a voltage meter being filmed in the Automotive Dept by department head William C. H. Meyer as part of a demonstration of a new technique in closed-circuit television. This is one of a series of photographs accompanying a press release about the development and demonstration of the new technique at the New York Trade School. Original caption reads, "In a classroom on another floor, students all have "front row" seats for the demonstration. Camera concentrates on close-up of a meter, where readings show the result of the voltage-regulator check. Instructor (standing at microphone) is Arthur Richards." Black and white photograph with accompanying caption.

Práticas de organizar na indústria criativa: a produção de um espetáculo de teatro musical em São Paulo - SP

Esta tese tem por objetivo compreender as práticas e ações de organizar necessárias à produção/organização de um espetáculo de teatro musical em São Paulo, a fim de explorar como as relações e articulações materialmente heterogêneas o sustentam e permitem suas apresentações. O foco nas práticas está alinhado à preocupação dos Estudos Organizacionais (EO) acerca de como “as organizações acontecem”, e na compreensão dos processos e práticas de organizar do cotidiano organizacional, remetendo ao entendimento das organizações como processos (organising) em constante estado de (re)constituição. O campo das indústrias criativas apresenta ainda lacunas pouco exploradas, referentes aos bens e serviços criativos. Seu foco de estudos está mais voltado para o consumo de tais bens e poucas pesquisas dedicam-se à sua produção e/ou organização. A própria noção de criatividade é entendida apenas como um atributo humano, talento ou habilidade, sem se enfatizar que alguns bens e serviços criativos e culturais apenas são possíveis a partir das relações e ações entre humanos e não-humanos. Na literatura organizacional, o teatro é amplamente estudado como uma metáfora ou como uma ferramenta de intervenção em processos de mudança ou aprendizado, sendo ainda raros estudos dedicados a explorar um espetáculo teatral como forma particular de organização. O teatro musical, inserido nas indústrias criativas, parece se consolidar no Brasil, principalmente pelo aumento de montagens de grandes musicais oriundos da Broadway, NYC, EUA, e sua crescente profissionalização, sobretudo na última década e, especialmente, na cidade de São Paulo, SP. Sua produção difere de outros gêneros teatrais pelo número de profissionais, investimentos e presença da tecnologia evidenciada em seus projetos de som, luz, cenografia e gestão de palco, tornando-o um campo fértil para a exploração sobre como atores se reúnem e formam o espetáculo visível (visto pelo público no palco) e o invisível (oculto nos bastidores). Sobre tal aspecto, a Teoria Ator-Rede (TAR), aqui utilizada como referencial teórico-metodológico, fornece um repertório analítico para a compreensão da organização como efeito de uma rede heterogênea de elementos, com uma estabilidade temporariamente alcançada. Para concretizar meu objetivo de explorar a organização de um musical, realizei uma pesquisa qualitativa, com inspiração etnográfica, na qual permaneci em campo durante dez meses junto a uma companhia cujo espetáculo esteve em cartaz em São Paulo entre os anos de 2013 e 2014. Descrevo, assim, como ocorreram as associações a articulações entre atores humanos e não-humanos, permeadas por esforços no sentido de gerar uma estabilização, um ordenamento, mesmo que precário, o qual é aqui entendido o musical (macro-ator ou rede-de-atores) em si e suas mais de trezentas apresentações durante a temporada, resultantes de ações em contínua (re)constituição. Negociações referentes a aquisições de direitos autorais, aspectos particulares da língua portuguesa, do público brasileiro, dos corpos e vozes do elenco brasileiro, as restrições estruturais do teatro, a produção de documentos, a marcação na sala de ensaios, a união do espetáculo via sistemas de som e imagem, a aquisição de equipamentos específicos e o sistema que permite “chamar o show” durante a apresentação são alguns dos temas que exploro. Com esta pesquisa, busquei assimilar o crescente interesse dos EO em relação organising e algumas das possibilidades oferecidas pela TAR quanto à multiplicidade e heterogeneidade inerentes às práticas organizativas, com o intuito de enriquecer a discussão acerca da organização e produção de bens e serviços criativos, destacando como a organização “espetáculo de teatro musical” é múltipla e materialmente heterogênea, e não apenas uma ideia exclusiva à ação humana ou criatividade como insumo de produção, tal como apregoa a maior parte das descrições referentes às indústrias criativas.

Comparative analysis of the volatile fraction from Annona cherimola Mill. cultivars by solid-phase microextraction and gas chromatography–quadrupole mass spectrometry detection

The analysis of volatile compounds in Funchal, Madeira, Mateus and Perry Vidal cultivars of Annona cherimola Mill. (cherimoya) was carried out by headspace solid-phase microextraction (HS-SPME) combined with gas chromatography–quadrupole mass spectrometry detection (GC–qMSD). HS-SPME technique was optimized in terms of fibre selection, extraction time, extraction temperature and sample amount to reach the best extraction efficiency. The best result was obtained with 2 g of sample, using a divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) fibre for 30 min at 30 °C under constant magnetic stirring (800 rpm). After optimization of the extraction methodology, all the cherimoya samples were analysed with the best conditions that allowed to identify about 60 volatile compounds. The major compounds identified in the four cherimoya cultivars were methyl butanoate, butyl butanoate, 3-methylbutyl butanoate, 3-methylbutyl 3-methylbutanoate and 5-hydroxymethyl-2-furfural. These compounds represent 69.08 ± 5.22%, 56.56 ± 15.36%, 56.69 ± 9.28% and 71.82 ± 1.29% of the total volatiles for Funchal, Madeira, Mateus and Perry Vidal cultivars, respectively. This study showed that each cherimoya cultivars have 40 common compounds, corresponding to different chemical families, namely terpenes, esters, alcohols, fatty acids and carbonyl compounds and using PCA, the volatile composition in terms of average peak areas, provided a suitable tool to differentiate among the cherimoya cultivars.

Optimisation of solid-phase microextraction combined with gas chromatography–mass spectrometry based methodology to establish the global volatile signature in pulp and skin of Vitis vinifera L. grape varieties

The volatiles (VOCs) and semi-volatile organic compounds (SVOCs) responsible for aroma are mainly present in skin of grape varieties. Thus, the present investigation is directed towards the optimisation of a solvent free methodology based on headspace-solid-phase microextraction (HS-SPME) combined with gas chromatography–quadrupole mass spectrometry (GC–qMS) in order to establish the global volatile composition in pulp and skin of Bual and Bastardo Vitis vinifera L. varieties. A deep study on the extraction-influencing parameters was performed, and the best results, expressed as GC peak area, number of identified compounds and reproducibility, were obtained using 4 g of sample homogenised in 5 mL of ultra-pure Milli-Q water in a 20 mL glass vial with addition of 2 g of sodium chloride (NaCl). A divinylbenzene/carboxen/polydimethylsiloxane fibre was selected for extraction at 60 °C for 45 min under continuous stirring at 800 rpm. More than 100 VOCs and SVOCs, including 27 monoterpenoids, 27 sesquiterpenoids, 21 carbonyl compounds, 17 alcohols (from which 2 aromatics), 10 C13 norisoprenoids and 5 acids were identified. The results showed that, for both grape varieties, the levels and number of volatiles in skin were considerably higher than those observed in pulp. According to the data obtained by principal component analysis (PCA), the establishment of the global volatile signature of grape and the relationship between different part of grapes—pulp and skin, may be an useful tool to winemaker decision to define the vinification procedures that improves the organoleptic characteristics of the corresponding wines and consequently contributed to an economic valorization and consumer acceptance.

Biodistribution of technetium-99m pertechnetate after Roux-en-Y gastric bypass (Capella technique) in rats

The biodistribution of sodium pertechnetate, the most used radiopharmaceutical in nuclear medicine, has not been studied in details after bariatric surgery. The objective was to investigate the effect of Roux-en-Y gastric bypass (RYGB) on biodistribution of sodium pertechnetate (Na99mTc-) in organs and tissues of rats. Methods: Twelve rats were randomly divided into two groups of 6 animals each. The RYGB group rats were submitted to the Roux-en-Y gastric bypass and the control group rats were not operated. After 15 days, all rats were injected with 0.1mL of Na99mTc- via orbital plexus with average radioactivity of 0.66 MBq. After 30 minutes, liver, stomach, thyroid, heart, lung, kidney and femur samples were harvested, weighed and percentage of radioactivity per gram (%ATI/g) of each organ was determined by gama counter Wizard Perkin-Elmer. We applied the Student t test for statistical analysis, considering p<0.05 as significant. Results: Significant reduction in mean %ATI/g was observed in the liver, stomach and femur in the RYGB group animals, compared with the control group rats (p<0.05). In other organs no significant difference in %ATI/g was observed between the two groups. Conclusion: This work contributes to the knowledge that the bariatric surgery RYGB modifies the pattern of biodistribution of Na99mTc

Effect of Tripanosomicide Benznidazole (Rochagan®) on the Biodistribution of Sodium Pertechnetate (Na99mTcO4) in Wistar Rats

Benznidazole, a drug with specific anti-Trypanosoma cruzi activity, is used in the treatment of Chagas’ disease. The radiopharmaceutical sodium pertechnetate (Na99mTcO4) is used to obtain diagnostic images of the stomach, thyroid, parathyroids, salivary glands, brain and in the study of esophageal reflux and blood flow. This study aimed at evaluating in vivo the influence of benznidazole treatment on the sodium pertechnetate biodistribution in Wistar rats. The percentage of radioactivity per gram (%ATI/g) of various organs (brain, heart, esophagus, stomach, small intestine, large intestine, spleen, liver, muscle and blood) was determined. Comparing the treated rats with the controls, we observed that sodium pertechnetate biodistribution did not change when administered to rats treated for thirty days with benznidazole

Biodistribution of the Radiopharmaceutical Sodium Pertechnetate after Biliopancreatic Bypass with a Duodenal Switch

Study with the purpose to examine the effects of duodenal switch (DS), regularly performed in morbidly obese patients, on biodistribution of sodium pertechnetate in several organs of rats. There was no early or late mortality in either rats groups. The values of percent radioactivity per gram of tissue (%ATI/g), showed no significant difference in liver, stomach, small bowel, duodenum, kidney, heart, bladder, bone and brain, when compared the DS rats with sham and controls rats. A postoperative significant increase (p<0.05) in mean %ATI/g levels was observed in spleen, pancreas and muscle in group DS rats, as compared to group S and C rats. In the lung there was an increase and in thyroid a decrease in mean %ATI/g of DS rats, when compared to sham rats (p<0.05). In conclusion, the biliopancreatic diversion with duodenal switch in rats modified the biodistribution of sodium pertechnetate in thyroid, lung, pancreas, spleen and muscle

Biodistribution of the radiophamarceutical sodium pertechnetate (Na99mTcO4) after massive small bowel resection in rats

To evaluate the biodistribution of sodium pertecnetate (Na99mTcO4) in organs and tissues, the morphometry of remnant intestinal mucosa and ponderal evolution in rats subjected to massive resection of the small intestine. Methods: Twenty-one Wistar rats were randomly divided into three groups of 7 animals each. The short bowel (SB) group was subjected to massive resection of the small intestine; the control group (C) rats were not operated on, and soft intestinal handling was performed in sham rats. The animals were weighed weekly. On the 30th postoperative day, 0.l mL of Na99mTcO4, with mean activity of 0.66 MBq was injected intravenously into the orbital plexus. After 30 minutes, the rats were killed with an overdose of anesthetic, and fragments of the liver, spleen, pancreas, stomach, duodenum, small intestine, thyroid, lung, heart, kidney, bladder, muscle, femur and brain were harvested. The biopsies were washed with 0.9% NaCl.,The radioactivity was counted using Gama Counter WizardTM 1470, PerkinElmer. The percentage of radioactivity per gram of tissue (%ATI-g) was calculated. Biopsies of the remaining jejunum were analysed by HE staining to obtain mucosal thickness. Analysis of variance (ANOVA) and the Tukey test for multiple comparisons were used, considering p<0.05 as signifi cant. Results: There were no signifi cant differences in %ATI-g of the Na99mTcO4 in the organs of the groups studied (p>0.05). An increase in the weight of the SB rats was observed after the second postoperative week. The jejunal mucosal thickness of the SB rats was signifi cantly greater than that of C and sham rats (p<0.05). Conclusion: In rats with experimentally-produced short bowel syndrome, an adaptive response by the intestinal mucosa reduced weight loss. The biodistribution of Na99mTcO4 was not affected by massive intestinal resection, suggesting that short bowel syndrome is not the cause of misleading interpretation, if an examination using this radiopharmaceutical is indicated