Direct Methods Optimised for Solving Crystal Structure by Powder Diffraction Data: Limits,Strategies, and Prospects

The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solution process by direct methods. Particular attention will be devoted to the EXPO program. Some of its performance will be analysed and results will be shown.     

Mixtures of tertiary amine functionalized azo-containing mesogens with acid-functionalized polymers

A tertiary amine functionalized 4-nitro-4′-alkoxy azobenzene mesogen with a 10 or 12 carbon spacer (azo-nN) was synthesized and complexed in equimolar proportions with poly(acrylic acid) (PA-H) and poly(sulfonic acid) (PSS-H), and investigated by thermogravimetric analysis, differential scanning calorimetry, polarizing optical microscopy, Fourier transform infrared spectroscopy and X-ray diffraction. The neat azo-nN is characterized by a partial bilayer S_A mesophase at higher temperatures, and a highly ordered phase, in which the molecules are stacked orthogonally in bilayers, at lower temperatures. As supported by infrared analysis, for the azo-nN/PA-H mixture, the complexation is partial while for the same azo-nN/PSS-H mixture, complete proton transfer occurs. When the azo-nN is blended with the PA-H, regarded as a weak acid, a biphasic system is generated and the thermotropic behavior of neat mesogen is not significantly affected. In contrast, by mixing the same mesogen with a PSS-H (regarded as a strong acid), the thermotropic behavior is significantly influenced: the complexation generated a partial or interdigitated smectic A or tilted smectic C lamellar phase.     

Resilience to Loss in Bereaved Spouses, Bereaved Parents, and Bereaved Gay Men.

Recent research has indicated that many people faced with highly aversive events suffer only minor, transient disruptions in functioning and retain a capacity for positive affect and experiences. This article reports 2 studies that replicate and extend these findings among bereaved parents, spouses, and caregivers of a chronically ill life partner using a range of self-report and objective measures of adjustment. Resilience was evidenced in half of each bereaved sample when compared with matched, nonbereaved counterparts and 36% of the caregiver sample in a more conservative, repeated-measures ipsative comparison. Resilient individuals were not distinguished by the quality of their relationship with spouse/partner or caregiver burden but were rated more positively and as better adjusted by close friends. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Mangrove forests as a nature-based solution for coastal flood protection: Biophysical and ecological considerations

Nature-based coastal protection is increasingly recognised as a potentially sustainable and cost-effective solution to reduce coastal flood risk. It uses coastal ecosystems such as mangrove forests to create resilient designs for coastal flood protection. However, to use mangroves effectively as a nature-based measure for flood risk reduction, we must understand the biophysical processes that govern risk reduction capacity through mangrove ecosystem size and structure. In this perspective, we evaluate the current state of knowledge on local physical drivers and ecological processes that determine mangrove functioning as part of a nature-based flood defence. We show that the forest properties that comprise coastal flood protection are well-known, but models cannot yet pinpoint how spatial heterogeneity of the forest structure affects the capacity for wave or surge attenuation. Overall, there is relatively good understanding of the ecological processes that drive forest structure and size, but there is a lack of knowledge on how daily bed-level dynamics link to long-term biogeomorphic forest dynamics, and on the role of combined stressors influencing forest retreat. Integrating simulation models of forest structure under changing physical (e.g. due to sea-level change) and ecological drivers with hydrodynamic attenuation models will allow for better projections of long-term natural coastal protection.     

An Innovative Methodology for the Performance Evaluation of Coated Cemented Carbide Inserts in Milling of Inconel 718

The performance of cemented carbide inserts coated with various PVD-films in milling Inconel 718 is evaluated by innovative analytical and experimental methods. Three PVD films with different micro and macro structures were applied. The coatings’ strength properties were detected by nanoindentations and by impact tests at various temperatures. These results were considered in FEM calculations of the material removal process to determine the mechanical and thermal loadings of the cutting wedge. Employing this innovative methodology, it is possible to capture proactively the effect of the cutting conditions on tool wear, thus reducing the effort dedicated in traditional sequential cutting experimentation.     

One-week low-dose triple therapy vs. two-week medium-dose double therapy for H.pylori infection

BACKGROUND/AIMS: Our study is to compare a short-term low-dose triple therapy with a long-term medium-dose double therapy for H.pylori eradication. MATERIALS AND METHODS: One hundred and ten consecutive patients, suffering from dyspeptic symptoms, with H.pylori infection, were randomly allocated to one of the following 2 groups with different therapeutic regimens: A) omeprazole 20 mg/day for 7 days, tinidazole 500 mg bid for 7 days, clarithromycin 250 mg bid for 7 days (55 pts, 20 with peptic ulcer); B) omeprazole 20 mg bid for 14 days, amoxycillin 1000 mg bid for 14 days (55 pts, 28 with peptic ulcer). The "H.pylori status" was evaluated by means of histology, culture and urease test, at entry and 8 weeks after treatment. RESULTS: Two group A and one group B pts didn't complete the treatment. The H.pylori eradication was obtained in 38 pts of group A (71.69%) (C.I.95%: 55.19176-80.86293), in 31 of group B (58.49%) (C.I.95%: 42.32777-69.7017); on Intention-to-Treat analysis, the rate of eradication gave similar results. Side effects occurred in 9 pts of group A (16.98%), in 8 of group B (14.81%). CONCLUSIONS: Short-term low-dose triple therapy with omeprazole/tinidazole/clarithromycin has a better cost/benefit ratio than long-term dual therapy with omeprazole/amoxycillin in the H.pylori eradication, but it causes more side-effects.     

Spoken emotion recognition through optimum-path forest classification using glottal features

A new method for the recognition of spoken emotions is presented based on features of the glottal airflow signal. Its effectiveness is tested on the new optimum path classifier (OPF) as well as on six other previously established classification methods that included the Gaussian mixture model (GMM), support vector machine (SVM), artificial neural networks – multi layer perceptron (ANN-MLP), k-nearest neighbor rule (k-NN), Bayesian classifier (BC) and the C4.5 decision tree. The speech database used in this work was collected in an anechoic environment with ten speakers (5 M and 5 F) each speaking ten sentences in four different emotions: Happy, Angry, Sad, and Neutral. The glottal waveform was extracted from fluent speech via inverse filtering. The investigated features included the glottal symmetry and MFCC vectors of various lengths both for the glottal and the corresponding speech signal. Experimental results indicate that best performance is obtained for the glottal-only features with SVM and OPF generally providing the highest recognition rates, while for GMM or the combination of glottal and speech features performance was relatively inferior. For this text dependent, multi speaker task the top performing classifiers achieved perfect recognition rates for the case of 6th order glottal MFCCs.     

Even in virtual environments women shop and men build: A social role perspective on Second Life

The present study examined whether traditional gender role expectations (Eagly, 1987) influence behaviors in non-traditional contexts such as online virtual environments. Participants were 352 Second Life users who reported their activities and experiences in Second Life. Results indicated that men and women differed in the types of activities they engaged in a manner predicted by social role theory. Specifically, as compared to women, men were more likely to report building things (e.g. objects), to own and work on their own virtual property, and were less likely to change their avatar’s appearance. Women, as compared to men, were more likely to meet people, shop, regularly change their avatar’s appearance, and buy clothes/objects for their avatar. The present study adds to our understanding of how traditional gender role expectations may carry over to online virtual worlds and influence online behavior.     

Social evaluations of embodied agents and avatars

The purpose of this study was to examine social evaluations (i.e., perceptions of empathy and positivity) following peoples’ interactions with digital human representations. Female research participants engaged in a 3-min interaction while immersed in a 3-D immersive virtual environment with a “peer counselor.” Participants were led to believe that the peer counselor was either an embodied agent (i.e., computer algorithm) or an avatar (i.e., another person). During the interaction, the peer counselor either smiled or not. As predicted, a digitally-rendered smile was found to affect participants’ social evaluations. However, these effects were moderated by participants’ beliefs about their interaction partner. Specifically, smiles enhanced social evaluations of embodied agents but degraded them for avatars. Although these results are consistent with other findings concerning the communicative realism of embodied agents and avatars they uniquely demonstrate that people’s beliefs alone, rather than actual differences in virtual representations, can impact social evaluations.