Structure and reactivity of Pd doped Ag surfaces

We have performed first principles calculations for clean and Pd doped Ag(1 1 1) and Ag(1 0 0) surfaces, with and without adsorbed O and CO. Our results for the structure of the Pd doped Ag surfaces indicate that Pd atoms are located lower than the surrounding Ag surface atoms. We find that O atoms adsorbed on Pd doped Ag(1 1 1) reside at the fcc hollow sites, the site next to Pd being slightly favored. Moreover, we provide results for O and CO co-adsorption on the clean and Pd doped Ag(1 1 1) surfaces, indicating that Pd can act as an electronic promoter for the CO oxidation reaction.     

Preference programming for robust portfolio modeling and project selection

In decision analysis, difficulties of obtaining complete information about model parameters make it advisable to seek robust solutions that perform reasonably well across the full range of feasible parameter values. In this paper, we develop the Robust Portfolio Modeling (RPM) methodology which extends Preference Programming methods into portfolio problems where a subset of project proposals are funded in view of multiple evaluation criteria. We also develop an algorithm for computing all non-dominated portfolios, subject to incomplete information about criterion weights and project-specific performance levels. Based on these portfolios, we propose a project-level index to convey (i) which projects are robust choices (in the sense that they would be recommended even if further information were to be obtained) and (ii) how continued activities in preference elicitation should be focused. The RPM methodology is illustrated with an application using real data on road pavement projects.     

Effects of HearFones on speaking and singing voice quality

HearFones (HF) have been designed to enhance auditory feedback during phonation. This study investigated the effects of HF (1) on sound perceivable by the subject, (2) on voice quality in reading and singing, and (3) on voice production in speech and singing at the same pitch and sound level.

Test 1: Text reading was recorded with two identical microphones in the ears of a subject. One ear was covered with HF, and the other was free. Four subjects attended this test. Tests 2 and 3: A reading sample was recorded from 13 subjects and a song from 12 subjects without and with HF on. Test 4: Six females repeated [pa:p:a] in speaking and singing modes without and with HF on same pitch and sound level.

Long-term average spectra were made (Tests 1–3), and formant frequencies, fundamental frequency, and sound level were measured (Tests 2 and 3). Subglottic pressure was estimated from oral pressure in [p], and simultaneously electroglottography (EGG) was registered during voicing on [a:] (Test 4). Voice quality in speech and singing was evaluated by three professional voice trainers (Tests 2–4).

HF seemed to enhance sound perceivable at the whole range studied (0–8 kHz), with the greatest enhancement (up to ca 25 dB) being at 1–3 kHz and at 4–7 kHz. The subjects tended to decrease loudness with HF (when sound level was not being monitored). In more than half of the cases, voice quality was evaluated “less strained” and “better controlled” with HF. When pitch and loudness were constant, no clear differences were heard but closed quotient of the EGG signal was higher and the signal more skewed, suggesting a better glottal closure and/or diminished activity of the thyroarytenoid muscle.     

p-harmonic functions on graphs and manifolds

We show that the LiouvilleD _p -property is invariant under rough isometries between a Riemannian manifold of bounded geometry and a graph of bounded degree. The first author was supported partly by the EU HCM contract No. CHRX-CT92-0071. This article was processed by the author using the Springer-Verlag TEX P Jourlg macro package 1991.     

Validation of the microbiological methods hygicult dipslide, contact plate, and swabbing in surface hygiene control: a Nordic collaborative study

A collaborative study on total aerobic bacterial count was conducted to validate the Hygicult TPC dipslide against contact plates and swabbing, using stainless-steel surfaces artificially contaminated with different microbes at various levels. Twelve laboratories took part in the validation procedure. The total number of collaborative samples was 108. The microbial level in each sample was assessed in triplicate using the 3 above-mentioned methods under 3 different incubation conditions (at 25 +/- 1 degrees C for 48 and 72 h and at 30 +/- 1 degrees C for 48 h). Surface sampling methods detached 25-30% at the lowest (theoretical yield, 1.4 cfu/cm2), 18-20% at the middle (theoretical yield, 10.7 cfu/cm2), and 16-21% at the highest (theoretical yield, 43.6 cfu/cm2) levels of microbes from the test surfaces. The percentage of acceptable results after removing outliers was 89%. Repeatability standard deviations ranged from 27.2 to 74.6% and reproducibility standard deviations ranged from 42.1 to 97.5%. There were no significant differences between results obtained at different incubation temperatures (25 and 30 degrees C) or incubation times (48 and 72 h) for all 3 methods. The Hygicult TPC dipslide, contact plate, and swabbing methods gave similar results at all 3 microbial levels tested: 0.35-0.43 cfu/cm2 at the lowest level, 1.9-2.2 cfu/cm2 at the middle level, and 7.1-9.1 cfu/cm2 at the highest level.     

Evaluation of protein 15N relaxation times by inverse Laplace transformation

Relaxation times (T1, T2, T1rho) are usually evaluated from exponential decay data by least-squares fitting methods. For this procedure, the integrals or amplitudes of signals must be determined, which can be laborious with large data sets. Moreover, the fitting requires a priori knowledge of the number of exponential components responsible for the decay. We have adapted inverse Laplace transformation (ILT) for the analysis of relaxation data. Exponential components are resolved with ILT to reciprocal space on their corresponding relaxation rate values. The ILT approach was applied to 3D linewidth-resolved 15N HSQC experiments to evaluate 15N T1 and T2 relaxation times of ubiquitin. The resulting spectrum is a true 3D spectrum, where the signals are separated by their 1H and 15N chemical shifts (HSQC correlations) and by their relaxation rate values (R1 or R2). From this spectrum, the relaxation times can be obtained directly with a simple peak-picking procedure.     

On the Synthesis of Chloro Derivatives of Five-Membered Heterocyclics via the Lithium Derivatives

In connection with our ¹³C NMR investigations we were interested in obtaining pure samples of 2- and 3-chlorofuran and 2- and 3-chloroselenophene. While direct chlorination with molecular chlorine or other chlorinating agents can successfully be used for the preparation of 2-chlorothiophene,¹ we could not reproduce either yields or isomeric purity in the corresponding chlorination of selenophene.^2,3