Test of mode coupling theory for a supercooled liquid of diatomic molecules.I. Translational degrees of freedom

A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions of the ideal mode coupling theory (MCT) for simple liquids. This is done in real as well as in momentum space. One of the main results is the existence of a unique transition temperature T_c, where the dynamics crosses over from an ergodic to a quasi-nonergodic behavior. The value for T_c agrees with that found earlier for the orientational dynamics within the error bars. In the beta- regime of MCT the factorization of space- and time dependence is satisfactorily fulfilled for both types of correlations. The first scaling law of ideal MCT holds in the von Schweidler regime, only, since the validity of the critical law can not be confirmed, due to a strong interference with the microscopic dynamics. In this first scaling regime a consistent description within ideal MCT emerges only, if the next order correction to the asymptotic law is taken into account. This correction is almost negligible for q=q_max, the position of the main peak in the static structure factor S(q), but becomes important for q=q_min, the position of its first minimum. The second scaling law, i.e. the time-temperature superposition principle, holds reasonably well for the self and collective density correlators and different values for q. The alpha-relaxation times tau_q^(s) and tau_q follow a power law in T-T_c over 2 -- 3 decades. The corresponding exponent gamma is weakly q-dependent and is around 2.55. This value is in agreement with the one predicted by MCT from the value of the von Schweidler exponent but at variance with the corresponding exponent gammaComment: 14 pages of RevTex, 19 figure

Dynamics of the rotational degrees of freedom in a supercooled liquid of diatomic molecules

Using molecular dynamics computer simulations, we investigate the dynamics of the rotational degrees of freedom in a supercooled system composed of rigid, diatomic molecules. The interaction between the molecules is given by the sum of interaction-site potentials of the Lennard-Jones type. In agreement with mode-coupling theory (MCT), we find that the relaxation times of the orientational time correlation functions C_1^(s), C_2^(s) and C_1 show at low temperatures a power-law with the same critical temperature T_c, and which is also identical to the critical temperature for the translational degrees of freedom. In contrast to MCT we find, however, that for these correlators the time-temperature superposition principle does not hold well and that also the critical exponent gamma depends on the correlator. We also study the temperature dependence of the rotational diffusion constant D_r and demonstrate that at high temperatures D_r is proportional to the translational diffusion constant D and that when the system starts to become supercooled the former shows an Arrhenius behavior whereas the latter exhibits a power-law dependence. We discuss the origin for the difference in the temperature dependence of D (or the relaxation times of C_l^(s) and D_r. Finally we present results which show that at low temperatures 180 degree flips of the molecule are an important component of the relaxation dynamics for the orientational degrees of freedom.Comment: 17 pages of RevTex, 12 figure

Plants and traditional knowledge: An ethnobotanical investigation on Monte Ortobene (Nuoro, Sardinia)

<p>Abstract</p> <p>Background</p> <p>Most of the traditional knowledge about plants and their uses is fast disappearing as a consequence of socio-economic and land use changes. This trend is also occurring in areas that are historically exposed to very few external influences, such as Sardinia (Italy). From 2004 to 2005, an ethnobotanical investigation was carried out in the area of Monte Ortobene, a mountain located near Nuoro, in central Sardinia.</p> <p>Methods</p> <p>Data were collected by means of semi-structured interviews. All the records – defined as 'citations', i.e. a single use reported for a single botanical species by a single informant – were filed in a data base ('analytical table'), together with additional information: i.e. local names of plants, parts used, local frequencies, and habitats of plants, etc. In processing the data, plants and uses were grouped into general ('categories') and detailed ('secondary categories') typologies of use. Some synthetic indexes have also been used, such as Relative Frequency of Citation (RFC), Cultural Importance Index (CI), the Shannon-Wiener Index (H'), and Evenness Index (J).</p> <p>Results</p> <p>Seventy-two plants were cited by the informants as being traditionally used in the area. These 72 'ethnospecies' correspond to 99 botanical taxa (species or subspecies) belonging to 34 families. Three-hundred and one citations, 50 secondary categories of use, and 191 different uses were recorded, most of them concerning alimentary and medicinal plants.</p> <p>For the alimentary plants, 126 citations, 44 species, and 13 different uses were recorded, while for the medicinal plants, there were 106 citations, 40 species, and 12 uses. Few plants and uses were recorded for the remaining categories. Plants and uses for each category of use are discussed. Analyses of results include the relative abundance of botanical families, wild vs. cultivated species, habitats, frequency, parts of plant used, types of use, knowledge distribution, and the different cultural importance of the species in question.</p> <p>Conclusion</p> <p>The study provides examples of several interesting uses of plants in the community, which would seem to show that the custom of using wild plants is still alive in the Monte Ortobene area. However, many practices are no longer in use, and survive only as memories from the past in the minds of elderly people, and often only in one or just a few informants. This rapidly vanishing cultural diversity needs to be studied and documented before it disappears definitively.</p

Comparison of some chemical parameters of a naturally debittered olive (Olea europaea L.) type with regular olive varieties

Some olives grown in Karaburun peninsula in the west part of Turkey and mostly coming from Erkence variety lose their bitterness while still on the tree and are called Hurma among locals. This olive type does not require further processing to remove the bitter compounds. In this study, sugar, organic acid and fatty acid profiles of Hurma, Erkence (not naturally debittered) and Gemlik (commonly consumed as table olive) olives were determined throughout 8 weeks of maturation period for two consecutive harvest seasons, and the results were analysed by principal component analysis (PCA). PCA of sugar and organic acid data revealed a differentiation in terms of harvest year but not on variety. Hurma olive is separated from others due to its fatty acid profile, and it has higher linoleic acid content compared to others. This might be an indication of increased desaturase enzyme activity for Hurma olives during natural debittering phase.TUBITAK (TOVAG-110O780

Assessing the impact of a health intervention via user-generated Internet content

Assessing the effect of a health-oriented intervention by traditional epidemiological methods is commonly based only on population segments that use healthcare services. Here we introduce a complementary framework for evaluating the impact of a targeted intervention, such as a vaccination campaign against an infectious disease, through a statistical analysis of user-generated content submitted on web platforms. Using supervised learning, we derive a nonlinear regression model for estimating the prevalence of a health event in a population from Internet data. This model is applied to identify control location groups that correlate historically with the areas, where a specific intervention campaign has taken place. We then determine the impact of the intervention by inferring a projection of the disease rates that could have emerged in the absence of a campaign. Our case study focuses on the influenza vaccination program that was launched in England during the 2013/14 season, and our observations consist of millions of geo-located search queries to the Bing search engine and posts on Twitter. The impact estimates derived from the application of the proposed statistical framework support conventional assessments of the campaign

Novel interactions of transglutaminase-2 with heparan sulphate proteoglycans: reflection on physiological implications

This mini-review brings together information from publications and recent conference proceedings that have shed light on the biological interaction between transglutaminase-2 and heparan sulphate proteoglycans. We subsequently draw hypothesis of possible implications in the wound healing process. There is a substantial overlap in the action of transglutaminase-2 and the heparan sulphate proteoglycan syndecan-4 in normal and abnormal wound repair. Our latest findings have identified syndecan-4 as a possible binding and signalling partner of fibronectinbound TG2 and support the idea that transglutaminase-2 and syndecan-4 acts in synergy

Clinical characteristics and outcomes in patients with traumatic brain injury in China: a prospective, multicentre, longitudinal, observational study

Background Large-scale studies are required to better characterise traumatic brain injury (TBI) and to identify the most effective treatment approaches for TBI. However, evidence is scarce and mostly originates from high-income countries. We aimed to describe the existing care for patients with TBI and the outcomes in China. Methods The Collaborative European NeuroTrauma Effectiveness Research in TBI (CENTER-TBI) China registry is a prospective, multicentre, longitudinal, observational study done in 56 neurosurgical centres across China. We collected data of patients who were admitted to hospital with a clinical diagnosis of TBI and an indication for CT. Patients who were discharged directly from the emergency room were excluded. The primary endpoint was survival on discharge. Prognostic analyses were applied to identify predictors of mortality. Variations in mortality were compared between centres and provinces within China. Mortality was compared with expected mortality, estimated using the CRASH basic model. This study was registered with ClinicalTrials.gov, NCT02210221. Findings From Dec 22, 2014, to Aug 1, 2017, 13 627 patients with TBI from 56 centres were enrolled in the registry. Data from 13 138 patients from 52 hospitals in 22 provinces of China were analysed. Most patients were male (9782 [74%]), with a median age of 48 years (IQR 33–61). The median Glasgow Coma Scale (GCS) score was 13 (IQR 9–15), and the leading cause of injury was road-traffic incident (6548 [50%]). Overall, 637 (5%) patients died, including 552 (20%) patients with severe TBI. Age, GCS score, injury severity score, pupillary light reflex, CT findings (compressed basal cistern and midline shift ≥5 mm), presence of hypoxia, systemic hypotension, altitude higher than >500 m, and GDP per capita were significantly associated with survival in all patients with TBI. Variation in mortality existed between centres and regions. The expected 14-day mortality was 1116 (13%), but 544 (7%) deaths within 14 days were observed (observed to expected ratio 0·49 [95% CI 0·45–0·53]). Interpretation The results show differences in mortality between centres and regions across China, which indicates potential for identifying best practices through comparative effectiveness research. The risk factors identified in prognostic analyses might contribute to developing benchmarks for assessing quality of care. Funding None

Computing with bacterial constituents, cells and populations: from bioputing to bactoputing

The relevance of biological materials and processes to computing—aliasbioputing—has been explored for decades. These materials include DNA, RNA and proteins, while the processes include transcription, translation, signal transduction and regulation. Recently, the use of bacteria themselves as living computers has been explored but this use generally falls within the classical paradigm of computing. Computer scientists, however, have a variety of problems to which they seek solutions, while microbiologists are having new insights into the problems bacteria are solving and how they are solving them. Here, we envisage that bacteria might be used for new sorts of computing. These could be based on the capacity of bacteria to grow, move and adapt to a myriad different fickle environments both as individuals and as populations of bacteria plus bacteriophage. New principles might be based on the way that bacteria explore phenotype space via hyperstructure dynamics and the fundamental nature of the cell cycle. This computing might even extend to developing a high level language appropriate to using populations of bacteria and bacteriophage. Here, we offer a speculative tour of what we term bactoputing, namely the use of the natural behaviour of bacteria for calculating