Phase prediction, microstructure and high hardness of novel light-weight high entropy alloys

Guided by CALPHAD modeling, low-density and multiphase three novel High Entropy Alloys (HEAs), Al40Cu15Cr15Fe15Si15, Al65Cu5Cr5Si15Mn5Ti5 and Al60Cu10Fe10Cr5Mn5Ni5Mg5 were produced by large scale vacuum die casting. A mixture of simple and complex phases was observed in the as-cast microstructures, which demonstrates good agreement with CALPHAD results. The measured densities varied from 3.7 g/cm3 to 4.6 g/cm3 and microhardness from 743 Hv to 916 Hv. Finally, the hardness of all the light-weight HEAs (LWHEAs) with densities below 4.6 g/cm3 manufactured to date were reviewed. The hardness of Al40Cu15Cr15Fe15Si15 and hardness to density ratio of Al65Cu5Cr5Si15Mn5Ti5 are the highest of all LWHEAs reported up to date.This work has been partially funded by the Basque government through the Project Elkartek: KK-2017/0000

Compound Formation and Microstructure of As-Cast High Entropy Aluminums

The aim of this work is to study the microstructure of four high entropy alloys (HEAs) produced by large scale vacuum die casting. Al40Cu15Mn5Ni5Si20Zn15, Al45Cu15Mn5Fe5Si5Ti5Zn20, Al35Cu5Fe5Mn5Si30V10Zr10, and Al50Ca5Cu5Ni10Si20Ti10 alloys formed a mixture of different structures, containing intermetallic compound (IC) and solid solution (SS) phases. The phases observed in the casting alloys were compared with the equilibrium phases predicted by Thermo-Calc. The measured densities varied from 3.33 g/cm−3 to 5.07 g/cm−3 and microhardness from 437 Hv to 887 Hv. Thus, the microhardness and estimated strength/density ratios are significantly higher than other lightweight high entropy alloys (LWHEAs).This work has been partially funded by the Basque Government through the project Elkartek: KK-2017/00007

Computational studies of Brønsted acid-catalyzed transannular cycloadditions of cycloalkenone hydrazones

The contribution to the energy barrier of a series of tethers in transannular cycloadditions of cycloalkenes with hydrazones has been computationally studied by using DFT. The Houk's distortion model has been employed to evaluate the influence of the tether in the cycloaddition reaction. That model has been extended to determine the contribution of each tether and, more importantly, the effect exerted between them. In addition to the distortion induced by the tethers, the entropy effects caused by them has also been studied. The analysis of the evolution of the electron localization function along the reaction revealed the highly concerted character of the reaction

Mechanistic insights on the enantioselective (4+3) cycloaddition between oxyallylcations and furans catalyzed by binol-based phosphoramides

The mechanism of the enantioselective (4+3) cycloaddition between furan derivatives and oxyallylcations, which are generated from the corresponding oxiranes through in situ oxidation of allenamides, has been studied using DFT methods. The research has revealed that, under acid‐catalysis by a chiral non‐racemic phosphoramide, the epoxide ring‐opening proceeds without any energy barrier, while the rate‐limiting step is the electrophilic attack of the intermediate enaminium ion on the furan ring. The reaction exhibits low energy barriers when dealing with furan derivatives unsubstituted at C2 and C5. Calculations predict the formation of an achiral regioisomer for 2‐substituted furans, a prediction that has been experimentally confirmed. Additionally, the calculations accurately predict the reaction with substituted allenamides

Transfer Learning Improving Predictive Mortality Models for Patients in End-Stage Renal Disease

Deep learning is becoming a fundamental piece in the paradigm shift from evidence-based to data-based medicine. However, its learning capacity is rarely exploited when working with small data sets. Through transfer learning (TL), information from a source domain is transferred to a target one to enhance a learning task in such domain. The proposed TL mechanisms are based on sample and feature space augmentation. Thus, deep autoencoders extract complex representations for the data in the TL approach. Their latent representations, the so-called codes, are handled to transfer information among domains. The transfer of samples is carried out by computing a latent space mapping matrix that links codes from both domains for later reconstruction. The feature space augmentation is based on the computation of the average of the most similar codes from one domain. Such an average augments the features in a target domain. The proposed framework is evaluated in the prediction of mortality in patients in end-stage renal disease, transferring information related to the mortality of patients with acute kidney injury from the massive database MIMIC-III. Compared to other TL mechanisms, the proposed approach improves 6-11% in previous mortality predictive models. The integration of TL approaches into learning tasks in pathologies with data volume issues could encourage the use of data-based medicine in a clinical setting

Switchable Brønsted acid-catalyzed ring contraction of Cyclooctatetraene oxide towards the enantioselective synthesis of Cyloheptatrienyl-substituted homoallylic Alcohols and Oxaborinanes

The ability of cyclooctatetraene oxide to undergo two sequential ring contraction events under mild conditions, using Brønsted acid catalysis, has been studied in detail. We have found that the selectivity can be controlled by the acidity of the catalyst and by the temperature, being able to obtain selectively either the cycloheptatriene carbaldehyde product, arising from a single ring-contraction event, or phenylacetaldehyde that is formed after a second ring contraction process. A complete mechanistic picture of the reaction and a rationale behind the influence of the catalyst is provided based on both experimental and computational data. Finally, this acid-catalyzed ring contraction has been coupled with an in situ enantioselective allylation reaction, delivering enantioenriched cycloheptatrienyl-substituted homoallylic alcohols when it is carried out in the presence of a chiral phosphoric acid catalyst. These homoallylic alcohols have also been converted into enantioenriched oxaborinanes through copper-catalyzed nucleophilic borylation/cyclization protocol

Kinetic resolution of chiral racemic secondary allylboronates and their application in the synthesis of homoallylic amines [Abstract]

Kinetic resolution of chiral racemic secondary allylboronates and their application in the synthesis of homoallylic amines [Abstract

Compound Formation And Microstructure Of As-Cast High Entropy Aluminums

The aim of this work is to study the microstructure of four high entropy alloys (HEAs) produced by large scale vacuum die casting. Al40Cu15Mn5Ni5Si20Zn15, Al45Cu15Mn5Fe5Si5Ti5Zn20, Al35Cu5Fe5Mn5Si30V10Zr10, and Al50Ca5Cu5Ni10Si20Ti10 alloys formed amixture of different structures, containing intermetallic compound (IC) and solid solution (SS) phases. The phases observed in the casting alloys were compared with the equilibrium phases predicted by Thermo-Calc. The measured densities varied from 3.33 g/cm(-3) to 5.07 g/cm(-3) and microhardness from 437 Hv to 887 Hv. Thus, the microhardness and estimated strength/density ratios are significantly higher than other lightweight high entropy alloys (LWHEAs).This work has been partially funded by the Basque Government through the project Elkartek: KK-2017/00007

Color influences sensory perception and liking of orange juice

Background: This study assesses the effect of slight hue variations in orange juice (reddish to greenish) on perceived flavour intensity, sweetness, and sourness, and on expected and actual liking. A commercial orange juice (COJ) was selected as a control, and colour-modified orange juices were prepared by adding red or green food dyes (ROJ and GOJ) that did not alter the flavour of the juice. A series of paired comparison tests were performed by 30 naive panellists to determine the influence of orange juice colour on flavour intensity, sweetness, and sourness. Then, 100 orange juice consumers were asked to rate expected liking of orange juice samples initially by visual evaluation and subsequently for actual liking upon consumption, using a labelled affective magnitude scale. Results: Results of pair comparison tests indicated that colour changes did not affect flavour intensity and sweetness, but the greenish hue (GOJ) significantly increased the perceived sourness. Results of the consumers’ study indicated significant differences in expected liking between the orange juice samples, with ROJ having the highest expected liking. However, scores of actual liking after consumption were not significantly different. COJ and GOJ showed a significant increase in actual liking compared to expected liking. Conclusions: This study shed light on how slight variations in orange juice hue (reddish to greenish hues) affect the perceived flavour intensity, sweetness, and sourness, and the expected and actual liking of orange juice

Kinetic resolution of secondary allylboronates and their application in the synthesis of homoallylic amines

Highly enantioenriched, chromatographically stable secondary allylboronates derived from 1,1,2,2‐tetraethyl‐1,2‐ethanediol were obtained by kinetic resolution of their racemic mixtures. The resolved reagents were applied in stereoselective synthesis of homoallylic amines with an internal double bond employing unprotected imines formed in situ from aldehydes and ammonia. The reactions proceeded with an excellent transfer of chirality