Modelling the relationship between biomechanics and performance of young sprinting swimmers

The aim of this study was to compute a swimming performance confirmatory model based on biomechanical parameters. The sample included 100 young swimmers (overall: 12.3 ± 0.74 years; 49 boys: 12.5 ± 0.76 years; 51 girls: 12.2 ± 0.71 years; both genders in Tanner stages 1-2 by self-report) participating on a regular basis in regional and national-level events. The 100 m freestyle event was chosen as the performance indicator. Anthropometric (arm span), strength (throwing velocity), power output (power to overcome drag), kinematic (swimming velocity) and efficiency (propelling efficiency) parameters were measured and included in the model. The path-flow analysis procedure was used to design and compute the model. The anthropometric parameter (arm span) was excluded in the final model, increasing its goodness-of-fit. The final model included the throw velocity, power output, swimming velocity and propelling efficiency. All links were significant between the parameters included, but the throw velocity-power output. The final model was explained by 69% presenting a reasonable adjustment (model's goodness-of-fit; x(2)/df = 3.89). This model shows that strength and power output parameters do play a mediator and meaningful role in the young swimmers' performance.

Computational and experimental study of the behavior of cyano-based ionic liquids in aqueous solution

The solvation of cyano- (CN-) based ionic liquids (ILs) and their capacity to establish hydrogen bonds (H-bonds) with water was studied by means of experimental and computational approaches. Experimentally, water activity data were measured for aqueous solutions of ILs based on 1-butyl-3-methylimidazolium ([BMIM](+)) cation combined with one of the following anions: thiocyanate ([SCN](-)), dicyanamide ([DCA](-)), or tricyanomethanide ([TCM](-)), and of 1-ethyl-3-methylimidazolium tetracyanoborate ([EMIM][TCB]). From the latter data, water activity coefficients were estimated showing that [BMIM][SCN] and [BMIM][DCA], unlike [BMIM][TCM] and [EMIM][TCB], are able to establish favorable interactions with water. Computationally, the conductor like screening model for real solvents (COSMO-RS) was used to estimate the water activity coefficients which compare well with the experimental ones. From the COSMO-RS results, it is suggested that the polarity of each ion composing the ILs has a strong effect on the solvation phenomena. Furthermore, classical molecular dynamics (MD) simulations were performed for obtaining an atomic level picture of the local molecular neighborhood of the different species. From the experimental and computational data it is showed that increasing the number of CN groups in the ILs' anions does not enhance their ability to establish H-bonds with water but decreases their polarities, being [BMIM][DCA] and [BMIM][SCN] the ones presenting higher propensity to interact.