Results 51 to 60 of about 112,466 (251)

Deriving General Energy Predictors for Pnictogen Bonding

Chemistry – A European Journal, EarlyView.
This study derives general energetic predictors for pure pnictogen bonds from nitrogen to bismuth based on the potential energy density at the bond critical point. The research highlights the increasing occurrence of secondary interactions for heavier elements.
Jan Langwald, Antonio Frontera
wiley   +1 more source

Encapsulation of Linear and Cyclic Alkanes in Water Within a Dimeric Deep‐Cavity Sulfonatocalix[4]arene Capsule

Chemistry – A European Journal, EarlyView.
Captured in water. A tetrasulfonated deep‐cavity calix[4]arene encapsulates linear and cyclic alkanes, as well as benzene and hexafluorobenzene, in water by forming a self‐assembled dimeric capsule. The binding affinity is guest size‐dependent. For linear alkanes, the affinity peaks at n‐hexane, while cyclooctane is the most strongly bound cycloalkane.
Nico Schneider, Sebastiano Casalino, Aldrik H. Velders, Rosa M. Gomila, Antonio Frontera, Stefan Kubik   +5 more
wiley   +1 more source

Regium-π vs Cation-π Interactions in M2 and MCl (M = Cu, Ag and Au) Complexes with Small Aromatic Systems: An ab Initio Study

Inorganics, 2018
In this study we have theoretically analyzed (RI-MP2/def2-TZVP) the ability of metal moieties involving elements from group IB (Cu, Ag and Au) to establish either regium-π or cation-π interactions with π-systems of different electronic nature ...
Antonio Bauzá, Antonio Frontera
doaj   +1 more source

The effect of calcium and magnesium on the aggregation of a purple phototrophic bacteria mixed consortium

Journal of Chemical Technology &Biotechnology, EarlyView.
Abstract BACKGROUND An essential aspect of applying Purple Phototrophic Bacteria (PPB) technology for wastewater treatment is the biomass separation from the aqueous phase. Ca2+ and Mg2+ have been used to enhance the aggregation of different biological matrices. In this paper, the effect of Ca2+ and Mg2+ on the aggregation of a mixed culture of PPB was
Jairo M Carrillo‐Osorio, Germán Buitrón   +1 more
wiley   +1 more source

Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study

Molecules, 2018
In this manuscript, we combined DFT calculations (PBE0-D3/def2-TZVP level of theory) and a Cambridge Structural Database (CSD) survey to evaluate the ability of perchlorinated cyclopenta- and cyclohexatetrelanes in establishing tetrel bonding ...
Antonio Bauzá, Antonio Frontera
doaj   +1 more source

Digital fire technologies and community networks: Cultivating just sociotechnical practices for living with planetary change

People and Nature, EarlyView.
Abstract Fires are expanding in frequency and intensity worldwide due to climate change and land‐use transformations. At the same time, fire often plays a regenerative role in ecosystems. Traditional and cultural practices incorporate fire use for landscape management and landscape renewal. In this complex matrix of fire ecologies, digital technologies
Jennifer Gabrys, Paula Tiara Torres, Pablo González Rivas   +2 more
wiley   +1 more source

Layered Nickel–HHTP Networks for Efficient Chemiresistive Sensing of CH4 and CO2

Small, EarlyView.
First single‐crystal structure of Ni‐HHTP reveals alternating radical‐rich and closed‐shell layers forming a periodic, sandwich‐like framework. Coordinated and lattice water modulate interlayer spacing. The defined structure enables correlation between architecture and chemiresistive sensing toward CO2 and CH4, supported by theoretical insight into ...
Ignasi Fort‐Grandas, Marta Martínez‐Belmonte, Jordi Benet‐Buchholz, Rosa M. Gomila, Antonio Frontera, Albert Romano‐Rodríguez, Anton Vidal‐Ferran   +6 more
wiley   +1 more source

Fronteras

Medicina de Familia. SEMERGEN
Ante unas elecciones generales convocadas precipitadamente, todos los partidos han tenido que apresurarse en modular y codificar estrategias y ...
  +5 more sources

How We Simulate Nanopores

Small Methods, EarlyView.
Nanopore technology has revolutionized single‐molecule sensing, yet it suffers from an inherent interpretive challenge. Molecular dynamics has emerged as a go‐to method for determining the relationship between the structure of translocating molecules and the nanopore current signals.
Behzad Mehrafrooz, Xavier Mleziva, Meng Xu, Melika Shekari, Christopher Maffeo, Aleksei Aksimentiev   +5 more
wiley   +1 more source

CONTATTO TRA ITALIANO E SPAGNOLO IN CONTESTO MIGRATORIO: IL RUOLO DEI SEGNALI DISCORSIVI

Italiano LinguaDue, 2022
Il presente lavoro propone un’indagine quali-quantitativa riguardante la funzione comunicativa dei segnali discorsivi (SD) presenti nel parlato di un gruppo italo-argentino di origine calabrese emigrato negli anni Cinquanta del secolo scorso.
Manuela Frontera, Emanuela Paone
doaj