Adsorption and decomposition of H2S on Pd(1 1 1) surface: a first-principles study

Gradient-corrected density functional theory was used to investigate the adsorption of H₂S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H₂S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H₂S decomposition giving rise to adsorbed S and H were determined. Both H₂S_(ad) → SH_(ad) + H_(ad) and SH_(ad) → S_(ad) + H_(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H₂S on Pd(1 1 1) surface is a facile process.     

Serum IgG2 level, Gm(23) allotype and FcgammaRIIa and FcgammaRIIIb receptors in refractory periodontal disease

The purpose of this investigation was to compare the levels of serum IgG2, the frequency of detection of Gm(23)-negative allotype and frequency of detection of FcgammaRIIa and FcgammaRIIIb receptor haplotypes in 32 refractory, 54 successfully treated and 27 periodontally healthy individuals. Refractory subjects showed mean full mouth attachment loss and/or >3 sites with attachment loss >2.5 mm within 1 year after both scaling and root planing, and surgery plus systemically administered tetracycline. Successfully treated subjects showed mean attachment level gain and no sites with attachment loss >2.5 mm 1 year post-therapy. Periodontally healthy subjects exhibited no pocket depth or attachment level >3 mm, and no evidence of progressing disease during 1 year of monitoring. Blood was obtained from each subject at baseline. Serum IgG2 and Gm(23) allotype were determined using radial immunodiffusion. DNA was extracted from whole blood and the FcgammaR genotypes determined using PCR and allele specific oligonucleotide probes. Significance of differences among clinical groups were sought using the Kruskal-Wallis or chi-square tests. Associations between 2 or more variables were tested using regression analysis. Refractory subjects exhibited higher mean attachment loss and pocket depth than successfully treated or periodontally healthy subjects. Smoking status did not differ significantly among groups. No significant differences in serum IgG2 levels and frequency of detection of Gm(23)-negative allotype were observed among the clinical groups. Serum IgG2 level was positively associated with the number of serum antibody responses to subgingival species (r=0.51, p<0.001). Subjects with the Gm(23)-negative allotype exhibited lower mean levels of serum IgG2 (3.06+/-0.3 versus 3.9+/-0.2, p<0.01) and mean number of serum antibodies to subgingival species (17.7+/-1.7 versus 23.3+/-1.4, p<0.05) than allotype positive individuals. No significant differences in FcgammaR haplotype distribution were observed among the 3 clinical groups. Associations of serum IgG2 level, Gm(23) allotype, FcgammaRIIa and FcgammaRIIIb receptor haplotypes and smoking status were weakly related or not related to clinical status. This lack of relationship may have been due to a reality of no relationship, or the inadvertent pooling of subjects where these factors were of primary importance with subjects in whom these factors played a less important role.     

Preoperative selection for curable renovascular hypertension

Clinical research has defined the criteria for identifying "curable" renovascular hypertension. The prediction is based on the measurement of plasma renin activity in peripheral veins, renal veins, and the aorta. Renin profiles can be examined with the method of Laragh and coworkers (the so-called incremental method), in which values for plasma renin activity are incorporated into formulas to compute indexed parameters. A score is attributed to each index and the prediction is based on the final score. Because the identification of curable renovascular hypertension is made according to numerical rules, the method is easily transformed into a computer-assisted process. The program is written in BASIC, and it is short enough to run on a personal computer.     

Role of lattice oxygen in the partial oxidation of methane over Rh/zirconia-doped ceria. Isotopic studies

Isotopic tracer and nuclear reaction analysis (NRA) are used to probe the identity of oxygen for CO formation during the catalytic partial oxidation (CPOX) of methane to synthesis gas on ¹⁸O₂ labeled Rh (1 wt.%)/(Ce_0.56Zr_0.44)O_2−x. Results reveal that methane is selectively oxidized by lattice oxygen ions from the catalyst to form carbon monoxide. ¹⁸O₂ isotopic exchange experiments, as a function of temperature in the 0–850 °C range, were performed on Rh (1 wt.%)/(Ce_0.56Zr_0.44)O_2−x, and (Ce_0.56Zr_0.44)O_2−x. It was observed that the presence of rhodium considerably accelerates the oxygen exchange with the support; the maximal exchange rates could be observed at lower temperatures, 250 °C. This may be due to oxygen spillover from the metal particles to the oxide. Comparing results from the isotopic exchange experiments on Rh/γ-alumina and Rh (1 wt.%)/(Ce_0.56Zr_0.44)O_2−x. It was revealed that oxygen conducting materials have a much higher oxygen storage capacity and isotopic exchange rate than non-oxygen conducting materials.     

Haptic modeling in the conceptual phases of product design

The paper presents the results of a research project aimed at developing an innovative system for modeling industrial products based on haptic technology. The system consists of a Computer Aided Design (CAD) system enhanced with intuitive designer-oriented interaction tools and modalities. The system integrates innovative six degrees of freedom (DOF) haptic tools for modeling digital shapes, with sweep operators applied to class-A surfaces and force computation models based on chip formation models. The system aims at exploiting designers’ existing skills in modeling products, improving the products design process by reducing the necessity of building several physical models for evaluating and testing the product designs. The system requirements have been defined observing designers during their daily work and translating the way they model shapes using hands and craft tools into specifications for the modeling system and the haptic tool. The system prototype has been tested by designers who have found it intuitive and effective to use.     

Serum antibodies reacting with subgingival species in refractory periodontitis subjects

The purpose of this investigation was to compare the levels of serum IgG antibody to 85 subgingival species in 32 refractory periodontitis, 56 successfully treated, and 33 periodontally healthy subjects. Refractory subjects showed mean full mouth attachment loss and/or >3 sites showing attachment loss >2.5 mm within 1 year after 2 treatment modalities, scaling and root planing and surgery plus systemically administered tetracycline. Successfully-treated subjects showed mean attachment level gain and no sites with attachment loss >2.5 mm, 1 year post-therapy. Periodontally healthy subjects exhibited no pocket or attachment level >3 mm, and no evidence of progressing attachment loss during 1 year of monitoring. Baseline serum was obtained from each subject and tested against 85 subgingival species, including reference strains and strains isolated from refractory subjects, using checkerboard immunoblotting. Significance of differences in levels of serum antibody among groups were sought using the Kruskal-Wallis test. Refractory subjects constituted a heterogeneous group based on their serum antibody response to subgingival species. Some individuals had antibody reactions to many subgingival species, while other subjects showed fewer or low numbers of responses. On average, refractory subjects exhibited higher numbers and levels of serum antibody reactions to a wide range of subgingival species than successfully treated or periodontally healthy subjects. Differences in serum antibody among clinical groups were more striking at higher threshold levels of antibody (>50 microg/ml and > 100 microg/ml). The data showed that a subject was 10.1 x more likely to be refractory if the subject exhibited antibody reactions with >9 subgingival species at >50 microg/ml (p<0.001, after adjusting for multiple comparisons). Serum antibody to a subset of the test species differed among the clinical groups. Porphyromonas gingivalis, Bacteroidesforsythus, and some strains isolated from refractory subjects (a novel Neisseria sp., Enterococcus faecalis, Prevotella loescheii and Prevotella oulora) elicited high serum antibody in the successfully treated and refractory subjects. High levels of serum antibody to a Microbacterium lacticum-like organism, Streptococcus oralis, Streptococcus constellatus, Actinobacillus actinonmycetemcomitans serotype c and Haemophilus aphrophilus significantly increased the likelihood of a subject being refractory to conventional periodontal therapy.     

The use of coal liquefaction catalysts for coal/oil coprocessing and heavy oil upgrading

The catalytic hydrogenation of heavy oil and mixed coal-heavy oil (coprocessing) systems has been the focus of a recent study at the Federal Energy Technology Center (FETC). The intent of this effort was to extend the use of coal liquefaction technologies to heavy oil upgrading and coprocessing systems. Specifically, new dispersed molybdenum-based catalysts developed at FETC and a novel silica-doped hydrous titanium oxide (HTO : Si)-supported NiMo catalyst developed at Sandia National Laboratories (SNL) were tested in these systems. The results indicate the potential of coal liquefaction catalysts for use in coprocessing and heavy oil upgrading. High conversions of coal–oil mixtures were observed with dispersed catalyst loadings as low as 100 ppm Mo. Similar results were observed in heavy oil systems. Also, the novel NiMo/HTO : Si catalyst was at least as effective as commercially-available supported catalysts (e.g. Amocat 1C) for conversion of high boiling point material to distillable products and aromatics removal.     

Aspects of physical aging,mechanical rejuvenation,and thermal annealing in a new copolyester

Long‐term effects of physical aging and mechanical rejuvenation are monitored through dynamic mechanical properties of an amorphous glassy polymer. These phenomena are investigated through dynamic mechanical testing that evaluates in situ the evolution of the storage modulus with time during annealing and physical aging. Comparisons are made on samples with different thermal histories and mechanical treatment (rejuvenation). The polymer characterized in this contribution is a new commercially available copolyester under the tradename of Tritan?. The results are discussed in context to different aging rates obtained from the various thermal and mechanical treatments; both measurements of aging rates are compared. POLYM. ENG. SCI., 55:1941–1950, 2015. © 2014 Society of Plastics Engineers     

Subgingival microbiota in healthy, well-maintained elder and periodontitis subjects

This investigation compared the site prevalence of 40 subgingival species in 30 periodontally healthy (mean age 36+/-9 years), 35 elders with a well-maintained periodontium (mean age 77+/-5) and 138 adult periodontitis subjects (mean age 46+/-11). Subgingival plaque samples were taken from the mesial aspect of each tooth (up to 28 samples) in the 203 subjects at baseline. The presence and levels of 40 subgingival taxa were determined in 5003 plaque samples using whole genomic DNA probes and checkerboard DNA-DNA hybridization. Clinical assessments including dichotomous measures of gingival redness, bleeding on probing, plaque accumulation and suppuration, as well as duplicate measures of pocket depth and attachment level, were made at 6 sites per tooth. The % of sites colonized by each species (prevalence) was computed for each subject. Differences in prevalence and levels among groups were sought using the Kruskal-Wallis test. Commonly detected species, such as Actinomyces naeslundii genospecies 2, Streptococcus sanguis and Streptococcus oralis did not differ significantly among subject groups. After adjusting for multiple comparisons, 4 species were significantly elevated and at greater prevalence in the periodontitis group. Mean % of sites (+/-SEM) colonized by Bacteroides forsythus was 10+/-3, 12+/-2 and 40+/-2 (p<0.001) for healthy, elder and periodontitis groups respectively. The odds ratio was 14.4:1 that a subject had periodontitis when B. forsythus was detected at > or = 5% of sampled sites. Mean prevalence for Porphyromonas gingivalis in healthy, elder and periodontitis subjects was 4+/-2, 5+/-2 and 23+/-2 respectively (p<0.001); for Treponema denticola 12+/-4, 10+/-3 and 30+/-2 (p<0.001) and for Selenomonas noxia 6+/-2, 7+/-2 and 19+/-2 (p<0.01). Similar differences among subject groups were observed when only sites with PD 0-4 mm were analyzed. The data suggest an etiologic role for B. forsythus, P. gingivalis, T. denticola and S. noxia in adult periodontitis.     

Construction of age-related reference limits for 24-h blood pressure pattern

Blood pressure (BP) is recursively variable during the day-night cycle because of a physiological circadian rhythm. The aim of this study is, therefore, to show how to construct the population reference limits (desms) for BP in its time varying 24-h pattern, starting from a small sample, in order to facilitate their use in a local context. The sample for standardization comprised 427 clinically healthy subjects (211 males and 216 females), ranging in age from 16 to 100 years, attending their routine activities. The procedure begins with the statistical biometry related to the sample, and proceeds with the computation of the BP desms related to (1) the time-qualified discrete values; (2) the parameters of circadian rhythm; (3) the daily pressure load. The pertaining rules are explained step by stop, allowing each one to prepare the proper local desms for BP 24-h pattern. These standards may be useful for validating the individual BP monitoring according to the upper limits of the circadian physiological variability in the diagnostic procedure for identifying hypertensive subjects.