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    A facile detection of ethanol by the Be/Mg/Ca-enhanced fullerenes: Insights from density functional theory
    (Elsevier, 2023) Toiserkani, F.; Mirzaei, M.; Alcan, V.; Harismah, K.; Salem-Bekhit, M. M.
    This work was done due to a need of developing a facile detection platform of ethanol (EtOH) type of alcohol for various reasons from the police uses up to the medical and industrial uses. To this aim, a representative model of fullerene (FULL) was doped by each of the beryllium (Be), magnesium (Mg), and calcium (Ca) alkali-earth atoms to produce MFULL counterparts including BeFULL, MgFULL, and CaFULL to be examined towards the adsorption of EtOH substance. Accordingly, the models were stabilized and their structural features were evaluated in addition to the evaluation of electronic based frontier molecular orbital features. The results showed possibility of formation of EtOH@FULL and EtOH@MFULL complexes by a priority of formation of the doped models, in which the formation of EtOH@BeFULL complex was found at the highest level of suitability regarding the energy terms and integration details. Subsequently, the electronic features indicated measurable variation of molecular orbital levels to approach a point of detection of adsorbed EtOH by the assistance of fullerenes. Meaningful results were found by performing density functional theory (DFT) calculations for showing the stability of EtOH@MFULL complexes besides evaluating measurable electronic features. Accordingly, the idea of developing a facile detection of EtOH by the Be/Mg/Ca-enhanced fullerenes was affirmed.
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    Nonlinear Analysis of Stride Interval Time Series in Gait Maturation Using Distribution Entropy
    (Elsevier Science Inc, 2022) Alcan, V.
    Objectives: This study aimed to investigate whether DistEn was capable of identifying complexity or irregularity for gait data and whether having low parameter-dependency sensitivity by comparing with the Approximate Entropy (ApEn) and Sample Entropy (SampEn). Material and methods: The data were divided into three groups according to gait maturation. Firstly, the mean amplitude histogram, standard deviation (SD), and the power spectrum were calculated for each group. Secondly, ApEn, SampEn, and DistEn algorithms were calculated. Statistical analyses were then performed to compare groups. Results: For m=3 with M= 256 and M=512 parameters, DistEn showed a statistically significant difference between in pairwise comparisons between all groups (P-a, P-b, and P-c < 0.05). DistEn consistently decreased from Group1, to Group2, and to Group 3. For m=2 with r=0.30 values, SampEn showed a statistically significant difference only in pairwise comparisons between Group1 and Group3 (P-b < 0.05). For with m=3 and r=0.30 parameters, SampEn also showed a statistically significant difference in pairwise comparisons between Group1 and Group3 (P-c < 0.05) as well as Group2 and Group3 (P-c < 0.05) SampEn increased from Group1 to Group3 and from Group2 to Group3. There was not any statistically significant difference in pairwise comparisons of groups for ApEn. Furthermore, DistEn showed less parameter consistency than ApEn and SampEn. Conclusion: DistEn showed the best performance in capture the complexity changes in gain patterns with growth. (C) 2021 AGBM. Published by Elsevier Masson SAS. All rights reserved.