Understanding the electrochemistry of armchair graphene nanoribbons containing nitrogen and oxygen functional groups: DFT calculations.

The surface and edge chemistry are vital points to assess a specific application of graphene and other carbon nanomaterials. Based on first-principles density functional theory, we investigate twenty-four chemical functional groups containing oxygen and nitrogen atoms anchored to the edges of armchair graphene nanoribbons (AGNRs). Results for the band structures, formation energy, band gaps, electronic charge deficit, oxidation energy, reduction energy, and global hydrophilicity index are analyzed. Among the oxygen functional groups, carbonyl, anhydride, quinone, lactone, phenol, ethyl-ester, carboxyl, α-ester-methyl, and methoxy act as electron-withdrawing groups and, conversely, pyrane, pyrone, and ethoxy act as electron-donating groups. In the case of nitrogen-functional groups, amine, N-p-toluidine, ethylamine, pyridine-N-oxide, pyridone, lactam, and pyridinium transfer electrons to the AGNRs. Nitro, amide, and N-ethylamine act as electron-withdrawing groups. The carbonyl and pyridinium group-AGNRs show metallic behavior. The formation energy calculations revealed that AGNRs with pyridinium, amine, pyrane, carbonyl, and phenol are the most stable structures. In terms of the global hydrophilicity index, the quinone and N-ethylamine groups showed the most significant values, suggesting that they are highly efficient in accepting electrons from other chemical species. The oxidation and reduction energies as a function of the ribbon's width are discussed for AGNRs with quinone, hydroquinone, nitro, and nitro + 2H. Besides, we discuss the effect of nitrogen-doping in AGNRs on the oxidation and reduction energies for the quinone and hydroquinone functional groups.

Mapping the environmental risk assessment of marinas on water quality: The Atlas of the Spanish coast.

Recreational sailing sector has an impact on water quality in marinas. This study proposes a standard procedure to assess the environmental risk of marinas on water quality. Risk is assessed through integrating environmental pressures, environmental conditions and societal responses (i.e. the Pressure-State-Response model). Pressures are estimated considering the main driving forces: navigation, port, dredging and external activities. State is estimated through combining the susceptibility, the ecological value and naturalness. Response is estimated through environmental management instruments and adopted measures. Managers and authorities can hierarchically classify marinas from a multi-scale spatial framework. This tool is particularly powerful for generating local, regional or national atlases to prioritize environmental planning actions. The method is applied to 320 marinas along the Spanish coast. This implementation confirms the usefulness, versatility and adaptability of this procedure as a tool for the environmental management of marinas.

Wrinkled Nitrogen-doped Carbon Belts.

Graphene, carbon nanotubes, and fullerenes are nanomaterials with outstanding properties such as electrical, thermal, mechanical strength, flexibility, and high surface area. These nanomaterials are used as building blocks for the construction of novel and astonishing 3D-dimensional networks. In the present work, nitrogen-doped carbon belt (N-CB) structures containing wrinkled carbon fibres as building blocks were synthesized under unstable conditions in a chemical vapour deposition experiment. N-CB structures with 0.2-3.0 microns of wide and 350 nm thick were assembled from complex individual wrinkled carbon fibres grown on Co/Cu films. These complex structures have a tubular appearance, showing holed and wrinkled graphite layers. Sulphur and copper atoms drastically affect the catalytic role of cobalt, changing the conventional growth of carbon nanotubes. Chemical functional groups, N-doping, and carbons hybridizations involved in the winkled carbon fibres are investigated. These findings provides a novel material that can be used as an excellent oxygen-reduction reaction catalyst or nano-electronics component.

Two Sprayer CVD Synthesis of Nitrogen-doped Carbon Sponge-type Nanomaterials.

Nitrogen-doped carbon sponge-type nanostructures (N-CSTNs) containing coaxial multiwalled carbon nanotubes are synthesized at 1020 °C by using a modified chemical vapor deposition (CVD) arrangement. Here, the CVD reactor is supplied by two flows coming from two independent sprayers (called sprayer A and sprayer B). The nebulized material in each sprayer is transported by two different gases with different flow velocities. The synthesis of carbon N-CSTNs is performed using different precursors: sprayer A contains a solution composed of ethanol, thiophene and ferrocene, whereas sprayer B contains a solution of benzylamine, thiophene and ferrocene. Samples are classified according to the position inside the reactor and characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Raman spectroscopy and thermogravimetric analysis (TGA). Samples collected at the beginning of the reactor contain curly structures with diameters of 10-100 nm. At the end of the reactor, the sample is mainly formed by one type of structure. A spongy-type material is mainly formed in the hottest zone of the tubular furnace. The N-CSTNs are highly hydrophobic with oil sorption properties, which could be used for adsorption of oil spills.

Desgastes oclusales en dientes ancestrales / Oclusales abrasions in ancients teeth

Se investigó los patrones de abrasiones oclusales en dientes de diez y seis indios Changos que vivieron entre los siglos VII y XII D.C en la costa de norte chileno, cuyos cráneos se rescataron desde sitios arqueológicos en Mejillones y Antofagasta. Se utilizó la escala Molnar para determinar el grado de abrasión oclusal en dientes permanentes Los resultados sugieren que en la alimentación de estos habitantes existió una alta proporción de partículas abrasivas (arena), no registrándose evidencias que estas abrasiones se deban al uso de la dentadura como herramienta. También debió haber ocurrir un cambio en el sistema neuromuscular del sistema estomatognático, generándose una mordida bis a bis, transformado la curva de Spee hasta llegar a desaparecer. En la mayoría de las dentaduras no se observan caries y muestran sus terceros molares erupcionados.

Patterns of occlusional abrasions were studied in teeth from skulls of 16 indigenous inhabitants ("Changos") from northern Chile living in the VIII and the XII centuries AD. The skulls were obtained from archeological sites in Mejillones and Antofagasta (23º5'S). The Molnar scale was used to determine the degree of occlusional abrasion of permanent teeth. The results suggested a high proportion of abrasional material (sand) occurred in the diets of these people, and no evidence was found of abrasion due to using the teeth as tools. Also, there must have been a change in the stomatognathic neuromuscular system, producing a "bis to bis"bite, thus transforming the Spee curve until its nearly complete disappearance. No caries were observed in a majority of the dentitions, and most had the third molar erupted.