Unraveling the effect of choline-based choline based ionic liquids on the physicochemical properties and taste behavior of D( +)-glucose in aqueous solutions

IF 4.3 2区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY BMC Chemistry Pub Date : 2025-02-22 DOI:10.1186/s13065-025-01407-3
Sara Dorosti, Hemayat Shekaari, Mohammad Bagheri, Fariba Ghaffari, Masumeh Mokhtarpour
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Abstract

To elucidate the mechanism by which choline-based ionic liquids potentially can enhance the sugar conversion to bioethanol, this work was conducted to study the thermodynamic behavior of D( +)-glucose in aqueous solutions of choline-based ionic liquids, choline salicylate [Ch][Sal], choline formate [Ch][For], and choline acetate [Ch][Ace]. This study involved measuring density, speed of sound, viscosity, and electrical conductivity at various concentrations and temperatures. Analysis of the calculated parameters, including apparent molar volume, Vφ, apparent molar isentropic compressibility (κφ), viscosity B-coefficient, and molar conductivity (Λ) values provide deep insights into intermolecular interactions between the components of the solutions studied. The standard partial molar volume values (\(V_{\varphi }^{0}\)) of D( +)-glucose, show stronger interactions between D( +)-glucose and the [Ch][Sal]. The computed transfer volume values (\(\Delta_{tr} V_{\varphi }^{0}\)), with the help of co-sphere overlap model confirm intensified hydrophilic-hydrophilic interactions in [Ch][Sal] [(1.99 to 2.08) cm3·mol−1] solutions. Hepler's constants suggest that D( +)-glucose acts as a structure-maker in the presence of choline-based ILs, especially in [Ch][Sal] solutions. Also, the DFT-COSMO calculations result in [Ch][Sal] the most favorable interactions among the other choline based ILs. Apparent specific volume (ASV), and apparent specific isentropic compressibility, (ASIC), values revealed that D( +)-glucose exhibits the taste behavior with [Ch][Sal]. The hydration number of D( +)-glucose diminishes as the temperature rises due to weakened hydrogen bonds between D( +)-glucose and water molecules. These findings suggest that [Ch][Sal] could be a promising candidate for accelerating sugar conversion to bioethanol.

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揭示胆碱基胆碱离子液体对水溶液中 D( +)- 葡萄糖的理化性质和味道行为的影响
为了阐明基于胆碱的离子液体可能促进糖转化为生物乙醇的机理,本研究研究了D(+)-葡萄糖在胆碱离子液体、胆碱水杨酸盐[Ch][Sal]、甲酸胆碱[Ch][For]和醋酸胆碱[Ch][Ace]水溶液中的热力学行为。这项研究包括在不同浓度和温度下测量密度、声速、粘度和电导率。对计算参数的分析,包括表观摩尔体积,Vφ,表观摩尔等熵压缩率(κφ),粘度b系数和摩尔电导(Λ)值,可以深入了解所研究溶液组分之间的分子间相互作用。D(+)-葡萄糖的标准偏摩尔体积值(\(V_{\varphi }^{0}\))表明D(+)-葡萄糖与[Ch][Sal]之间的相互作用更强。在共球重叠模型的帮助下,计算的传递体积值(\(\Delta_{tr} V_{\varphi }^{0}\))证实了[Ch][Sal] [(1.99 ~ 2.08) cm3·mol−1]溶液中亲水性-亲水性相互作用增强。Hepler常数表明,D(+)-葡萄糖在胆碱基il存在时,特别是在[Ch][Sal]溶液中,起着结构制造作用。此外,DFT-COSMO计算结果表明[Ch][Sal]是其他胆碱类化合物之间最有利的相互作用。表观比容(ASV)和表观比等熵压缩率(ASIC)表明,D(+)-葡萄糖具有[Ch][Sal]的味觉行为。由于D(+)-葡萄糖与水分子之间的氢键减弱,D(+)-葡萄糖的水化数随着温度的升高而减少。这些发现表明[Ch][Sal]可能是加速糖转化为生物乙醇的有希望的候选者。图形摘要
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来源期刊
BMC Chemistry
BMC Chemistry Chemistry-General Chemistry
CiteScore
5.30
自引率
2.20%
发文量
92
审稿时长
27 weeks
期刊介绍: BMC Chemistry, formerly known as Chemistry Central Journal, is now part of the BMC series journals family. Chemistry Central Journal has served the chemistry community as a trusted open access resource for more than 10 years – and we are delighted to announce the next step on its journey. In January 2019 the journal has been renamed BMC Chemistry and now strengthens the BMC series footprint in the physical sciences by publishing quality articles and by pushing the boundaries of open chemistry.
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