Unveiling the Dual Nature of the Smallest Aqueous Ferrocene Complex.

The structure of the ferrocene-water ((Cp)Fe:HO) complex has been characterized by combining state of the art rotational spectroscopy and computational chemistry. Two structures have been retrieved experimentally where water interacts with two distinguished binding sites, the exo Cp π cloud and the planetary-like planar orbit around iron. The spectra of both conformers exhibit significant averaging effects due to the nearly free rotational dynamics of water.

Host-microbe computational proteomic landscape in oral cancer revealed key functional and metabolic pathways between Fusobacterium nucleatum and cancer progression.

Oral squamous cell carcinoma (OSCC) is the most common manifestation of oral cancer. It has been proposed that periodontal pathogens contribute to OSCC progression, mainly by their virulence factors. However, the main periodontal pathogen and its mechanism to modulate OSCC cells remains not fully understood.

Alcohol Self-Aggregation: the Preferred Configurations of the Ethanol Trimer.

An atomic-level knowledge of the aggregation of archetypal molecular systems is essential to accurately model supramolecular structures and the transition from gas to liquid phase. The structures and forces involved in ethanol aggregation have been investigated using microwave spectroscopy and extensive quantum chemical calculations. Four isomers of the ethanol trimer have been observed and identified based on comparisons between experimental and predicted spectroscopic parameters, and considering collisional relaxation in the supersonic expansion.

Reference values for respiratory muscle strength and maximal voluntary ventilation in the Brazilian adult population: A multicentric study.

Aim: To determine reference values and propose prediction equations for respiratory muscle strength, maximal inspiratory pressure (MIP), maximal expiratory pressure (MEP), and endurance by means of maximal voluntary ventilation (MVV) in healthy Brazilian adults.

Methods: Anthropometric data, level of physical activity, pulmonary function, and respiratory muscle strength and maximal voluntary ventilation of 243 participants (111 men and 132 women) aged 20 to 80 years were assessed at three cities in the southeast and northeast region of Brazil.

Results: Mean maximal respiratory pressures and MVV were higher in men (MIP = 111.

Unprecedented selectivity behavior in the direct dehydrogenation of -butane to -butenes with similar active Pt nanoparticle size: unveiling structural and electronic characteristics of supported monometallic catalysts.

In this work, supported Pt monometallic catalysts were prepared using oxide and carbon supports by conventional impregnation methods. Similar Pt metallic nanoparticle sizes (mean sizes about 1.8-2 nm) have been obtained using different Pt precursor loadings (0.