Classical-path integral adaptive resolution in molecular simulation: towards a smooth quantum-classical coupling

Simulations that couple different classical molecular models in an adaptive way by changing the number of degrees of freedom on the fly, are available within reasonably consistent theoretical frameworks. The same does not occur when it comes to classical-quantum adaptivity. The main reason for this is the difficulty in describing a continuous transition between the two different kind of physical principles: probabilistic for the quantum and deterministic for the classical. Here we report the basic principles of an algorithm that allows for a continuous and smooth transition by employing the path integral description of atoms.Comment: 8 pages 4 figure

Good governance and subjective well-being in Europe: the mediating role of trust in other people and institutions

This paper investigates the determinants of subjective well-being in Europe during the Covid-19 pandemic using the European Living, Working and COVID-19 Survey carried out by Eurofound (2021). Particular attention is paid to how the quality of governance influences individual wellbeing through the mediation of trust in other people (interpersonal trust) and in the public institutions (institutional trust). To this end, we outline an index of quality of governance that considers the dimensions that characterize good governance and promote institutional and interpersonal trust. In particular, this index assesses both the competencies of the state, such as responsiveness and reliability, as well as the values of fairness and integrity. The findings show that the quality of governance has a positive impact on individual well-being, and that institutional and interpersonal trust play a primary role in enhancing the positive influence of public interventions. Finally, we examine the evidence in support of the claim that young people (18-34 year age group) tend to react differently to public interventions dealing with socio-economic distress by means of different channels of trust with respect to individuals over 34 years of age

Biodegradable and Sustainable Synthetic Antibodies—A Perspective

Molecular imprinting technology has been around for almost a century, and we have witnessed dramatic advancements in the overall design and production of molecularly imprinted polymers (MIPs), particularly in terms of possible formats of the final products when it comes to truly resembling antibody substitutes, i.e., MIP nanoparticles (MIP NPs). Nonetheless, the overall technology appears to struggle to keep up with the current global sustainability efforts, as recently elucidated in the latest comprehensive reviews, which introduced the “GREENIFICATION” concept. In this review, we will try to elucidate if these advancements in MIP nanotechnology have indeed resulted in a sustainability amelioration. We will do so by discussing the general production and purification strategies for MIP NPs, specifically from a sustainability and biodegradation perspective, also considering the final intended application and ultimate waste management

Durum wheat growth analysis in a semiarid environment in relation to crop rotation and nitrogen rate

SUMMARY – A research on durum wheat growth analysis was carried out at Sparacia farm (37°37’N-13°42’E) during the 2000-2001 and 2001-2002 seasons in a typical semi-arid environment. The objective of this research was to determine the effects of crop rotation (continuous wheat and wheat-pea rotation) and N fertilizer rates (0, 60 and 120 Kg ha-1) on growth of four durum wheat varieties, characterized by different productive ability and adaptation. A split- split-plot design with three replications was used. The study highlighted the role of the CGR index in order to enable a better knowledge of the relationship among crop techniques and wheat yield respons

Mistura: the culinary journey in Peru analyzing Peru’s largest food festival through food identity and pride

Trabajo de investigaciónAnaliza “Mistura” como el resultado de un boom gastronómico que evoluciona los conceptos de comida y los símbolos que la representa a través de símbolos comunes como patriotismo, identidad nacional, orgullo . Este estudio puso en debate las percepciones de los peruanos sobre la comida y sus significado en la construcción de la identidad nacional . Asimismo, se cultiva el valor en la opinión pública sobre el rol de Lima como ciudad anfitriona.Shelby Davis Sholarship y R - MC Grant AchiavementTrabajo de investigació

Evaluation of environmental quality of mediterranean coastal lagoons using persistent organic pollutants and metals in thick-lipped grey mullet

The evaluation of past and present anthropogenic impacts affecting the ecological quality status of transitional ecosystems is crucial from the perspective of protecting them from further deterioration, and to evaluate remediation and restoration measures. Contamination patterns of thick-lipped grey mullet from two Mediterranean coastal lagoons within a protected area in Italy were assessed and compared in order to evaluate their overall quality status and to collect information that can provide useful feedback on management choices aimed at enhancing environmental quality and biodiversity conservation. The quality status of the two lagoons was evaluated by an environmental assessment methodology based on indicators of direct and indirect human pressures, while a broad range of analyses were carried out to determine the presence and concentration of persistent organic pollutants (POPs) and metals in fish muscle tissue. A good quality status resulted for both lagoons, and an overall limited anthropogenic impact in the surrounding area. This could account for POPs and metal contamination levels found in mullet, although limited, and relating to their patterns. The overlap of results achieved with the two evaluation approaches can provide support for management choices in Mediterranean lagoon environments, especially for those committed to the protection and conservation of biodiversity

Macrophage Targeting pH Responsive Polymersomes for Glucocorticoid Therapy

Glucocorticoid (GC) drugs are the cornerstone therapy used in the treatment of inflammatory diseases. Here, we report pH responsive poly(2-methacryloyloxyethyl phosphorylcholine)–poly(2-(diisopropylamino)ethyl methacrylate) (PMPC–PDPA) polymersomes as a suitable nanoscopic carrier to precisely and controllably deliver GCs within inflamed target cells. The in vitro cellular studies revealed that polymersomes ensure the stability, selectivity and bioavailability of the loaded drug within macrophages. At molecular level, we tested key inflammation-related markers, such as the nuclear factor-κB, tumour necrosis factor-α, interleukin-1β, and interleukin-6. With this, we demonstrated that pH responsive polymersomes are able to enhance the anti-inflammatory effect of loaded GC drug. Overall, we prove the potential of PMPC–PDPA polymersomes to efficiently promote the inflammation shutdown, while reducing the well-known therapeutic limitations in GC-based therapy

Caratterizzazione e valutazione dell\u2019attivit\ue0 anti proliferativa di nuovi sistemi per il drug carrier Allosite-sali triazolici/cardanolo

Da precedenti studi \ue8 stato valutato che i nanotubi di allosite modificati con sali triazolici (f-HNT), sono dei promettenti sistemi carrier per molecole biologiche1. In questo lavoro si riportano i risultati ottenuti studiando gli f-HNT come carrier per il cardanolo, molecola con interessanti attivit\ue0 biologiche. L\u2019interazione fra il cardanolo e gli f-HNT \ue8 stata valutata tramite HPLC, spettroscopia FTIR, analisi termogravimentrica, misure di angolo di contatto e microscopia a scansione elettronica. Infine sono stati studiati sia il rilascio del cardanolo dal sistema che gli effetti citotossici del complesso f-HNT/Cardanolo verso linee cellulari di epatocarcinoma. I dati sperimentali ottenuti mostrano che l\u2019allosite risulta un promettente sistema atto al drug carrier