Distributivity of a class of ordinal sum implications over t-norms and t-conorms

Lu, Jing; Zhao, Bin

doi:10.1016/j.fss.2019.01.002

Cited by 11 publications

(3 citation statements)

References 26 publications

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“…In order to explore the chiral recognition mechanism between Thr enantiomers and CILs, quantum mechanics (QM) calculation was adopted to reveal the weak interactions between the CILs and Thr enantiomers through the configuration search of Thr-CIL units. Genmer package had been widely used to obtain the reliable configuration search more quickly and efficiently. , Especially for an ionic liquid system, genmer package fitted it well and could achieve satisfactory calculations consistent with the experimental results. , Although the mixed solvents of newly synthesized CILs and water were complicated solutions, the simulation conducted in gas phase in a vacuum at 0 K was still able to achieve satisfactory calculation results for the analysis of the chiral recognition ability of CILs, following the work of Wu and co-workers on liquid–liquid extraction …”

Section: Quantum Mechanics Calculationmentioning

confidence: 94%

“…The above structures were geometrically optimized using a Gaussian package at the B3LYP-D3(BJ)/6–31++G** level till self-consistency . For the purpose of analyzing the chiral recognition ability of different CILs toward Thr enantiomers, the molecule number ratio of Thr to CILs was chosen as 1:1 (i.e., dimer). − Twenty incipient configurations of Thr-CILs units were then randomly generated via the genmer package, followed by the optimization of those configurations calculated by the MOPAC 2016 program on a PM7 basis and a Molclus program at the B3LYP-D3(BJ)/ma-TZVP level. , Subsequently, the lowest energy structure of the Thr-CIL unit was picked to do an independent gradient model based on Hirshfeld partition (IGMH) analysis using a Multiwfn package. , The IGMH isosurface diagrams were obtained with VMD 1.9 software to reveal the chiral recognition sites between the Thr enantiomers and CILs . Finally, the binding energy (BE) corrected by basis set superposition errors (BSSE) between the l -Thr or d -Thr and CILs was, respectively, computed at the B3LYP-D3(BJ)/6–31++G** level to quantify the chiral recognition ability of the CILs .…”

Section: Quantum Mechanics Calculationmentioning

confidence: 99%

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Enhanced Direct Crystallization Resolution of Racemates Mediated in Chiral Ionic Liquid Cosolvent Mixtures: Experimental, Statistical, and QM Simulation Studies

Qin

Lou

et al. 2023

Crystal Growth & Design

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Four chiral ionic liquids (CILs) of 1-hexyl-3-methylimidazolium-l-2-aminobutyrate ([Hmim][l-2-AbA]), 1-hexyl-3-methylimidazolium-d-2-aminobutyrate ([Hmim][d-2-AbA]), di-1-hexyl-3-methylimidazolium-l-malate ([Hmim]2[l-MA]), and di-1-hexyl-3-methylimidazolium-d-malate ([Hmim]2[d-MA]) were first prepared by a neutralization method and adequately characterized. In light of a gravimetric method, the molar fraction solubilities of dl- and d- together with l-threonine (Thr) were then acquired in the binary cosolvent mixtures (CM) of CILs and water, with different mass fractions (ω) of CILs under 101.3 kPa from 283.15 to 333.15 K. In CIL cosolvent mixtures (CCM), a cosolvency phenomenon was observed with the biggest solubilization and discrepant solubilities of Thr enantiomers, with ω of 0.3. Meanwhile, the asymmetry phenomenon was also found from the ternary phase diagram of Thr enantiomers and CCM, in which the enantiomeric excess values at the eutectic point (eeeut) were sensitive to temperature. Subsequently, the nucleation experiments and appearance probability statistics confirmed that CCM with ω of 0.3 (CCM-0.3) can act as excellent nucleation inhibitors which preferred to suppress the nucleation of enantiomeric crystals with the opposite chirality to them, leading to the preferential nucleation of enantiomeric crystals with the same chirality. Furthermore, by coupling seeds and CCM-0.3, the yield and yield ratio of l-Thr products through a direct antisolvent crystallization resolution were improved greatly compared with that in water, where the largest yield ratio was up to 27.47%. At the same time, isosurface diagrams and binding energy calculations by quantum mechanics (QM) revealed that the higher chiral recognition ability of [Hmim]2[l-MA] than [Hmim][l-2-AbA] stemmed from the stronger weak interactions. Particularly, the enhanced direct crystallization resolution can be feasibly recycled owing to the stability and recyclability of the CILs.

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Section: Quantum Mechanics Calculationmentioning

confidence: 94%

Section: Quantum Mechanics Calculationmentioning

confidence: 99%

Enhanced Direct Crystallization Resolution of Racemates Mediated in Chiral Ionic Liquid Cosolvent Mixtures: Experimental, Statistical, and QM Simulation Studies

Qin

Lou

et al. 2023

Crystal Growth & Design

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“…Recently, Zhou [47] characterized the t-norm and t-conorm solutions and continuous Archimedean t-conorm solutions for k-generated implications. Since then, lots of scholars have studied various distributive equations [27,29,38,39,45,46].…”

Section: Significance and Development Of Distributivity Of Fuzzy Implications Over Aggregation Functionsmentioning

confidence: 99%

Distributivity of ordinal sum implications over overlap and grouping functions

Pan¹,

Zhou²

2021

Kybernetika

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In 2015, a new class of fuzzy implications, called ordinal sum implications, was proposed by Su et al. They then discussed the distributivity of such ordinal sum implications with respect to t-norms and t-conorms. In this paper, we continue the study of distributivity of such ordinal sum implications over two newly-born classes of aggregation operators, namely overlap and grouping functions, respectively. The main results of this paper are characterizations of the overlap and/or grouping function solutions to the four usual distributive equations of ordinal sum fuzzy implications. And then sufficient and necessary conditions for ordinal sum implications distributing over overlap and grouping functions are given.

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Linear Orthopair Fuzzy Sets

Gao

Zhang

2022

Int. J. Fuzzy Syst.

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Distributivity of a class of ordinal sum implications over t-norms and t-conorms

Cited by 11 publications

References 26 publications

Enhanced Direct Crystallization Resolution of Racemates Mediated in Chiral Ionic Liquid Cosolvent Mixtures: Experimental, Statistical, and QM Simulation Studies

Enhanced Direct Crystallization Resolution of Racemates Mediated in Chiral Ionic Liquid Cosolvent Mixtures: Experimental, Statistical, and QM Simulation Studies

Distributivity of ordinal sum implications over overlap and grouping functions

Linear Orthopair Fuzzy Sets

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