The Fast Multipole Method and Point Dipole Moment Polarizable Force Fields

We present an implementation of the fast multipole method for computing coulombic electrostatic and polarization forces from polarizable force-fields based on induced point dipole moments. We demonstrate the expected $O(N)$ scaling of that approach by performing single energy point calculations on hexamer protein subunits of the mature HIV-1 capsid. We also show the long time energy conservation in molecular dynamics at the nanosecond scale by performing simulations of a protein complex embedded in a coarse-grained solvent using a standard integrator and a multiple time step integrator. Our tests show the applicability of FMM combined with state-of-the-art chemical models in molecular dynamical systems.Comment: 11 pages, 8 figures, accepted by J. Chem. Phy

Cultural Determinants of Household Saving Behavior

Relying on the epidemiological approach, we show that culture is a significant driver of household saving behavior. Second-generation immigrants from countries that put strong emphasis on thrift or wealth accumulation tend to save more in Germany. We confirm these results in data from the United Kingdom. By linking parents to their children, we show that these two cultural components affect the saving behavior of both first-generation immigrants and their children

Understanding olive oil stability using filtration and high hydrostatic pressure

Veiled extra virgin olive oil (VEVOO) is very attractive on the global market. A study was performed to highlight the role of different amounts of water and microorganisms on the evolution of VEVOO quality during storage, using the selective effects of the application of individual or combined filtration and high hydrostatic pressure (HHP) treatments. Four oil processing trials were carried out in four replicates, resulting in a full factorial design with two independent fixed factors: filtration and HPP treatments. The turbidity of all the olive oil samples was characterized. Furthermore, all the olive oil samples were analysed for legal parameters, volatile organic compounds and phenolic compounds during the storage tests. The microbial contamination in the presence of a high level of water activity (>0.6 Aw) was related to the formation of volatile aroma compounds, which were responsible for the \u201cfusty\u201d sensory defect. Furthermore, high water activity values were related to an increase in the hydrolytic degradation rate of the phenolic compounds. The oil turbidity has to be planned and controlled, starting from adjustment of the water content and application of good manufacturing practices

Filtration scheduling: Quality changes in freshly produced virgin olive oil

Filtration is the most widespread stabilisation operation for extra virgin olive oil, preventing microbial and enzymatic changes. However, during the harvest, the workload of olive mills is at its peak. This results in two approaches to filtration: (i) delays it until after harvesting, increasing the risk of degraded oil quality, and (ii) filters it immediately, increasing the workload. The aim of our experiment is to assess the risk of delaying filtration and establish a safe delay time. Changes in the sensory profile and volatile compound contents were evaluated during 30 days in filtered and unfiltered samples. Significant differences were related to filtration: both turbidity grade and microbial contamination; no differences for the legal parameters were found. Two, contrasting, results were obtained with respect to oil quality: (i) the fusty defect, appearing in less than five days in unfiltered oils, leading to the downgrade of the oil\u2019s commercial category, and (ii) filtration removing some lipoxygenase volatile compounds. Consequently, a fruity attribute was more pronounced in unfiltered samples until day five of storage; it seems that, from this point, the fusty defect masked a fruity attribute. Hence, filtering within a few days strongly reduced the risk of degraded oil quality compared to a delayed filtration

Do Bishops Matter for Politics? Evidence From Italy

This paper studies whether and how religious leaders affect politics. Focusing on Italian dioceses in the period from 1948 to 1992, we find that the identity of the bishop in office explains a significant amount of the variation in the vote share for the Christian Democracy party (DC). This result is robust to several exercises that use different samples and time windows. Zooming into the mechanism, we find that two characteristics of bishops matter: (i) his political culture, and (ii) his interaction with the population—the latter being measured using state-of-the-art text-analysis techniques

The Spatial Drivers of Discrimination: Evidence From Anti-Muslim Fake News in India

This paper studies how discriminatory fake news arises and spatially diffuses. We focus on India at the onset of the COVID-19 pandemic: on March 30, a Muslim convention (the Tablighi Jamaat) in New Delhi became publicly recognized as a COVID hotspot, and the next day, fake news on Muslims intentionally spreading the virus spiked. Using Twitter data, we build a comprehensive novel dataset of georeferenced tweets to identify anti-Muslim fake news. We find, in cross-sectional and difference-in-difference settings, that discriminatory fake news became much more widespread after March 30 (1) in New Delhi, (2) in districts closer to New Delhi, and (3) in districts with higher social media interactions with New Delhi. Further, we investigate whether deeply rooted historical factors may have also played a role in the diffusion of anti-Muslim fake news: we show that, after March 30, discriminatory fake news was more common in districts historically exposed to attacks by Muslim groups

Effect of protocatechuic acid on insulin responsiveness and inflammation in visceral adipose tissue from obese individuals: possible role for PTP1B

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Teleconsultation service to improve healthcare in rural areas: acceptance, organizational impact and appropriateness

Background: Nowadays, new organisational strategies should be indentified to improve primary care and its link with secondary care in terms of efficacy and timeliness of interventions thus preventing unnecessary hospital accesses and costs saving for the health system. The purpose of this study is to assess the effects of the use of teleconsultation by general practitioners in rural areas. Methods: General practitioners were provided with a teleconsultation service from 2006 to 2008 to obtain a second opinion for cardiac, dermatological and diabetic problems. Access, acceptance, organisational impact, effectiveness and economics data were collected. Clinical and access data were systematically entered in a database while acceptance and organisational data were evaluated through ad hoc questionnaires. Results: There were 957 teleconsultation contacts which resulted in access to health care services for 812 symptomatic patients living in 30 rural communities. Through the teleconsultation service, 48 general practitioners improved the appropriateness of primary care and the integration with secondary care. In fact, the level of concordance between intentions and consultations for cardiac problems was equal to 9%, in 86% of the cases the service entailed a saving of resources and in 5% of the cases, it improved the timeliness. 95% of the GPs considered the overall quality positively. For a future routine use of this service, trust in specialists, duration and workload of teleconsultations and reimbursement should be taken into account. Conclusions: Managerial and policy implications emerged mainly related to the support to GPs in the provision of high quality primary care and decision-making processes in promoting similar services