Buscador de Tesis y publicaciones académicas

Extension of openCOSMO-RS into a full open-source equation of state: Implementation, parameterization, and benchmarking

Jan Markgraf · D.G. Lisboa Girardi · Irina Smirnova · Simon Müller

The COSMO-SAC-Phi model developed by Soares et al. extends the COSMO-SAC activity-coefficient framework into a full equation of state by explicitly accounting for pressure effects. In this approach, pure substances and mixtures are represented as pseudo-mixtures consisting of the actual number of moles and an additiona...

Structure of a-amylase single chain nanoparticles

Paula MALO DE MOLINA · Hayden FISHER

Single chain nanoparticles are polymeric nanoparticles made from intramolecular cross-linking of individual chains, which can also be made of polypeptides or proteins. Here, we propose to study the structure of SCNPs based on the enzyme α-Amylase denatured in urea solutions and collapsed via intra-molecular crosslinkin...

High PT properties of breyite, larnite and titanite

Andrew THOMSON · Wilson CRICHTON

We propose to measure the crystallographic properties of breyite (CaSiO3, previously known as walstromite), larnite (Ca2SiO4) and titanite (CaSi2O5) as a function of temperature from ~ 5-12 GPa. These three calcium-rich phases are commonly observed in diamond-hosted inclusions, and in this context are often believed to...

Genetic architecture and genomic regions associated with malpigmentation in farmed turbot (Scophthalmus maximus)

Costas Imbernón, Daniel · Saura, María · Otero, Susana · Guerrero-Peña, Laura · y 6 más

Pigmentation disorders are a major constraint in turbot aquaculture, reducing the commercial value of affected fish. In turbot, defects mainly manifest as pseudoalbinism on the ocular side and hypermelanosis on the blind side. Here, we present the first comprehensive study dissecting the genetic architecture of malpigm...

High-pressure and high-temperature chemical reactivity of phosphorus and hydrogen beyond PH3 and (PH3)2H2

Matteo CEPPATELLI · Mohamed MEZOUAR · Marta MORANA · Kamil DZIUBEK · y 4 más

The proposal is aimed at investigating the high pressure and high temperature chemistry of P and H2, exploring the new perspectives and questions opened by the direct synthesis of PH3 from the elements and by the discovery of the crystalline vdW compound (PH3)2H2.

Nursing educators' perspectives on artificial intelligence: A rapid review of roles, limits, and implications

Amina, Silva · Bruna, Canever · Vanessa, Silva E Silva

Artificial intelligence (AI) is rapidly entering academic nursing education, yet its integration remains uneven and often lacks pedagogical guidance. Understanding how nursing educators perceive AI's role is critical to ensuring its appropriate and effective use.This rapid review aimed to synthesize current evidence on...

Wastewater in Asia as an evolutionary reactor: Linking environmental azoles to the emergence of clinical resistance

M.D.A. Indrajith · J. Brandão

Antifungal resistance (AFR) has been recognised as a global health priority, with Asia reasonably identified as a critical epicentre. Several converging factors, including intensive agricultural fungicide use, inadequate wastewater infrastructure, high population density, a large burden of chronic respiratory diseases,...

Inappropriate propagation model selection in ad hoc networks routing studies

Le Dirach, Hugo · Boyer, Marc · Lochin, Emmanuel

Performance evaluation of mobile ad hoc network (MANET) routing protocols relies heavily on simulation, yet the choice of propagation model, a critical determinant of link connectivity, is rarely justified or systematically examined. Through a bibliometric audit of 32 comparative routing studies, we demonstrate that ur...

The fundamental interaction between localised X-ray pulses and electronic devices at the nanoscale: development of a tailored facility for a

Frederic LACHAUD · Matthieu LABORDE · VALERIE BERTIN · Vincent LORQUET · y 13 más

Towards automatized high-throughput studies of structure-property correlations in gradient two-component organic thin films

Dmitrii LAPKIN · Roody NASRO · Maik HYLINSKI · Ainur ABUKAEV · y 1 más

We wish to pursue our machine learning (ML) assisted high-throughput film growth studies, demonstrated in a pioneering work done at the ID10 beamline, on two- and multi-component materials. Our sample preparation chamber allows the deposition of multicomponent organic thin films with lateral gradient distribution of th...