Intelligent Modeling and Multi-Response Optimization of AWJC on Fiber Intermetallic Laminates through a Hybrid ANFIS-Salp Swarm Algorithm

The attainment of intricate part profiles for composite laminates for end-use applications is one of the tedious tasks carried out through conventional machining processes. Therefore, the present work emphasized hybrid intelligent modeling and multi-response optimization of abrasive waterjet cutting (AWJC) of a novel fiber intermetallic laminate (FIL) fabricated through carbon/aramid fiber, reinforced with varying wt% of reduced graphene oxide (r-GO) filled epoxy resin and Nitinol shape memory alloy as the skin material. The AWJC experiments were performed by varying the wt% of r-GO (0, 1, and 2%), traverse speed (400, 500, and 600 mm/min), waterjet pressure (200, 250, and 300 MPa), and stand-off distance (2, 3, and 4 mm) as the input parameters, whereas kerf taper (Kt) and surface roughness (Ra) were considered as the quality responses. A hybrid approach of a parametric optimized adaptive neuro-fuzzy inference system (ANFIS) was adopted through three different metaheuristic algorithms such as particle swarm optimization, moth flame optimization, and dragonfly optimization. The prediction efficiency of the ANFIS network has been found to be significantly improved through the moth flame optimization algorithms in terms of minimized prediction errors, such as mean absolute percentage error and root mean square error. Further, multi-response optimization has been performed for optimized ANFIS response models through the salp swarm optimization (SSO) algorithm to identify the optimal AWJC parameters. The optimal set of parameters, such as 1.004 wt% of r-GO, 600 mm/min of traverse speed, 214 MPa of waterjet pressure, and 4 mm of stand-off distance, were obtained for improved quality characteristics. Moreover, the confirmation experiment results show that an average prediction error of 3.38% for Kt and 3.77% for Ra, respectively, were obtained for SSO, which demonstrates the prediction capability of the proposed optimization algorithm

Quantifying the hydration structure of sodium and potassium ions: taking additional steps on Jacob's Ladder

The ability to reproduce the experimental structure of water around the sodium and potassium ions is a key test of the quality of interaction potentials due to the central importance of these ions in a wide range of important phenomena. Here, we simulate the Na+ and K+ ions in bulk water using three density functional theory functionals: (1) the generalized gradient approximation (GGA) based dispersion corrected revised Perdew, Burke, and Ernzerhof functional (revPBE-D3) (2) the recently developed strongly constrained and appropriately normed (SCAN) functional (3) the random phase approximation (RPA) functional for potassium. We compare with experimental X-ray diffraction (XRD) and X-ray absorption fine structure (EXAFS) measurements to demonstrate that SCAN accurately reproduces key structural details of the hydration structure around the sodium and potassium cations, whereas revPBE-D3 fails to do so. However, we show that SCAN provides a worse description of pure water in comparison with revPBE-D3. RPA also shows an improvement for K+, but slow convergence prevents rigorous comparison. Finally, we analyse cluster energetics to show SCAN and RPA have smaller fluctuations of the mean error of ion-water cluster binding energies compared with revPBE-D3

Design principles for high transition metal capacity in disordered rocksalt Li-ion cathodes

The discovery of facile Li transport in disordered, Li-excess rocksalt materials has opened a vast new chemical space for the development of high energy density, low cost Li-ion cathodes. We develop a strategy for obtaining optimized compositions within this class of materials, exhibiting high capacity and energy density as well as good reversibility, by using a combination of low-valence transition metal redox and a high-valence redox active charge compensator, as well as fluorine substitution for oxygen. Furthermore, we identify a new constraint on high-performance compositions by demonstrating the necessity of excess Li capacity as a means of counteracting high-voltage tetrahedral Li formation, Li-binding by fluorine and the associated irreversibility. Specifically, we demonstrate that 10–12% of Li capacity is lost due to tetrahedral Li formation, and 0.4–0.8 Li per F dopant is made inaccessible at moderate voltages due to Li–F binding. We demonstrate the success of this strategy by realizing a series of high-performance disordered oxyfluoride cathode materials based on Mn²+/⁴+ and V⁴+/⁵+ redox.Vehicle Technologies Program (U.S.) (Contract No. DE-AC02-05CH11231)United States. Department of Energy. Office of Energy Efficiency and Renewable Energy. Advanced Battery Materials Research Program (Subcontract No. 7056411)National Science Foundation (U.S.) (Reward No. OCI-1147503)National Science Foundation (U.S.) (grant number ACI- 105357)National Science Foundation (U.S.) (NSF DMR 172025)United States. Department of Energy (Contract No. DE-AC02-06C H11357)United States. Department of Energy. Office of Science (contract no. DE-AC02-05CH11231

Effects of fluoxetine on functional outcomes after acute stroke (FOCUS): a pragmatic, double-blind, randomised, controlled trial

Background Results of small trials indicate that fluoxetine might improve functional outcomes after stroke. The FOCUS trial aimed to provide a precise estimate of these effects. Methods FOCUS was a pragmatic, multicentre, parallel group, double-blind, randomised, placebo-controlled trial done at 103 hospitals in the UK. Patients were eligible if they were aged 18 years or older, had a clinical stroke diagnosis, were enrolled and randomly assigned between 2 days and 15 days after onset, and had focal neurological deficits. Patients were randomly allocated fluoxetine 20 mg or matching placebo orally once daily for 6 months via a web-based system by use of a minimisation algorithm. The primary outcome was functional status, measured with the modified Rankin Scale (mRS), at 6 months. Patients, carers, health-care staff, and the trial team were masked to treatment allocation. Functional status was assessed at 6 months and 12 months after randomisation. Patients were analysed according to their treatment allocation. This trial is registered with the ISRCTN registry, number ISRCTN83290762. Findings Between Sept 10, 2012, and March 31, 2017, 3127 patients were recruited. 1564 patients were allocated fluoxetine and 1563 allocated placebo. mRS data at 6 months were available for 1553 (99·3%) patients in each treatment group. The distribution across mRS categories at 6 months was similar in the fluoxetine and placebo groups (common odds ratio adjusted for minimisation variables 0·951 [95% CI 0·839–1·079]; p=0·439). Patients allocated fluoxetine were less likely than those allocated placebo to develop new depression by 6 months (210 [13·43%] patients vs 269 [17·21%]; difference 3·78% [95% CI 1·26–6·30]; p=0·0033), but they had more bone fractures (45 [2·88%] vs 23 [1·47%]; difference 1·41% [95% CI 0·38–2·43]; p=0·0070). There were no significant differences in any other event at 6 or 12 months. Interpretation Fluoxetine 20 mg given daily for 6 months after acute stroke does not seem to improve functional outcomes. Although the treatment reduced the occurrence of depression, it increased the frequency of bone fractures. These results do not support the routine use of fluoxetine either for the prevention of post-stroke depression or to promote recovery of function. Funding UK Stroke Association and NIHR Health Technology Assessment Programme

Unveiling the cerium(III)/(IV) structures and charge transfer mechanism in sulfuric acid

The Ce3+/Ce4+ redox couple has a charge transfer (CT) with extreme asymmetry and a large shift in redox potential depending on electrolyte composition. The redox potential shift and CT behavior are difficult to understand because neither the cerium structures nor the CT mechanism are well understood, limiting efforts to improve the Ce3+/Ce4+ redox kinetics in applications such as energy storage. Herein, we identify the Ce3+ and Ce4+ structures and CT mechanism in sulfuric acid via extended X-ray absorption fine structure spectroscopy (EXAFS), kinetic measurements, and density functional theory (DFT) calculations. We show EXAFS evidence that confirms that Ce3+ is coordinated by nine water molecules and suggests that Ce4+ is complexed by water and three bisulfates in sulfuric acid. Despite the change in complexation within the first coordination shell between Ce3+ and Ce4+, we show that the kinetics are independent of the electrode, suggesting outer-sphere electron-transfer behavior. We identify a two-step mechanism where Ce4+ exchanges the bisulfate anions with water in a chemical step followed by a rate-determining electron transfer step that follows Marcus theory (MT). This mechanism is consistent with all experimentally observed structural and kinetic data. The asymmetry of the Ce3+/Ce4+ CT and the observed shift in the redox potential with acid is explained by the addition of the chemical step in the CT mechanism. The fitted parameters from this rate law qualitatively agree with DFT-predicted free energies and the reorganization energy. The combination of a two-step mechanism with MT should be considered for other metal ion CT reactions whose kinetics have not been appropriately described.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/176715/1/jacsau.2c00484_-_Dylan_Herrera.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/176715/2/annotated-Herrera_Dylan_Design_Expo_-_Dylan_Herrera.pd

Probiotic potential of exopolysaccharide producing lactic acid bacteria isolated from homemade fermented food products

In the current study, 41 bacterial isolates were obtained from homemade fermented food products (cheese, curd, fermented rice water, yogurt, and buttermilk). Among these bacterial isolates, 4 lactic acid bacteria (LAB) strains such as CH4, Sri3, Kri1, and R3 were screened based on their wide inhibitory potential against test indictors by the well diffusion method. Based on the morphological, biochemical and phylogenic characterization, the four selected probiotic LAB strains were identified viz., Lactococcus hircilactis strain CH4, Lactobacillus delbrueckii strain GRIPUMSK, Lactobacillus johnsonii strain PUMSKGRI, and Lactobacillus leichmannii strain SKGRIPUM. These 4 probiotic LAB strains exhibited 62.5–87.5% antibiotic sensitivity, non-haemolytic, thereby confirming their safe status. All of these strains were found to be extremely acid tolerant after 5 h at pH 2–3. These 4 strains were able to withstand 2% high bile salt concentrations for 5 h with a survival rate of 67.40–73.68%. After 5 h, all four isolates demonstrated good auto-aggregation capacity of greater than 40% and strong hydrophobicity towards xylene of greater than 40%. All the four selected isolates have produced antimicrobial metabolites of exopolysaccharides (196.4 U/mL- 217.9 U/mL), H2O2 (0.49–0.71 g L−1) and β-galactosidase (196.4–217.9 U/mL). These strains exhibited the ability to assimilate cholesterol ranged between 12.15 and 79.72%. Moreover, they were found to be highly potential, with a total score of 95.83%, and are now being used to make probiotic food products. Hence, this work affirms the use of selected four LAB strains as safe and highly effective probiotic candidates