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Absorption, Desorption, and Mechanism Investigation of Dilute SO2 in the 1,3-Propanediol + Dimethyl Sulfoxide Binary System 1,3 丙二醇 + 二甲亚砜二元体系中稀释二氧化硫的吸收、解吸和机理研究
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-06-13 DOI: 10.1007/s10953-024-01390-8
Huifang Guo, Ying Zhang, Qiaomin Zhang, Jia Liu, Xiaohong Xie

In this work, the absorption of sulfur dioxide (SO2) was investigated using the 1,3-propanediol (PDO) + dimethyl sulfoxide (DMSO) system, and the gas−liquid equilibrium (GLE) data were analyzed over a temperature range of 298.15–318.15 K (with a temperature gradient of 5 K) at a pressure of 123.15 kPa. By fitting the gas–liquid equilibrium data, it is observed that the process of absorption SO2 conforms to Henry’s Law. The change in specific entropy, enthalpy, and Gibbs free energies of the SO2 absorption process was as well calculated. In addition, the capture and regeneration properties of the PDO + DMSO system were investigated under atmospheric pressure, and the results of regeneration experiments demonstrated that 97.3% of SO2 could be desorbed by heating and bubbling with N2. Furthermore, there was no notable reduction in absorption capacity of the absorbent solvents after multiple cycles. Finally, the FTIR spectra and computational information were noted to analyze the interaction between SO2 and the system. As a result, an intermolecular hydrogen bonding association between PDO, DMSO, and SO2 can be inferred.

这项研究利用 1,3-丙二醇 (PDO) + 二甲基亚砜 (DMSO) 体系研究了二氧化硫 (SO2) 的吸收,并分析了压力为 123.15 kPa、温度范围为 298.15-318.15 K(温度梯度为 5 K)的气液平衡 (GLE) 数据。通过拟合气液平衡数据,可以发现二氧化硫的吸收过程符合亨利定律。同时还计算了二氧化硫吸收过程中的比熵、比焓和吉布斯自由能的变化。此外,还研究了 PDO + DMSO 系统在常压下的捕获和再生特性,再生实验结果表明,通过加热和用 N2 鼓泡,97.3% 的 SO2 可以被解吸。此外,经过多次循环后,吸收溶剂的吸收能力没有明显下降。最后,利用傅立叶变换红外光谱和计算信息分析了二氧化硫与系统之间的相互作用。因此,可以推断出 PDO、DMSO 和 SO2 之间存在分子间氢键联系。
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引用次数: 0
Sensitive Spectrophotometric Determination of U(VI) Ion at Trace Level in Water Samples: A Simple and Rapid Homogenous Solvent-Based/In-Situ Solvent Formation Microextraction Based on Synthesized/Characterized Task-Specific Ionic Liquid 水样中痕量六价铬离子的灵敏分光光度测定:基于合成/表征的特定任务离子液体的简单快速均质溶剂/原位溶剂形成微萃取法
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-06-12 DOI: 10.1007/s10953-024-01384-6
Mehdi Hosseini, Seyyed Mehdi Khoshfetrat

The preconcentration of uranium VI (U(VI)) at trace levels in some real water and wastewater samples and its determination by spectrophotometry using a homogeneous solvent-based microextraction method, specifically in-situ solvent formation microextraction, were investigated. This microextraction method uses a unique task-specific ionic liquid (IL) as the specific complexing agent and/or extracting phase. A pyrrolidinium-based IL modified with (E)-5-(bromomethyl)-2-(pyridin-2-yldiazenyl) phenol as a task-specific IL (E)-1-(3-hydroxy-4-(pyridin-2-yldiazenyl) benzyl)-1-methylpyrrolidinium bromide (TSIL/Br) was successfully synthesized and characterized by 1HNMR and FTIR analyses. TSIL/Br chelated with U(VI) ions in the aqueous phase to form a hydrophilic [U(VI)-TSIL/Br2] complex with high efficiency. It was then converted to a hydrophobic [U(VI)-TSIL/(NTf2)2] complex through a counter-ion agent, such as bis(trifluoromethanesulfonyl)imide ((text{NTF}_2^-)) for separation from the aqueous solution phase. This process eliminates the need for a separate complexing agent, because TSIL/Br acts simultaneously as both a complexing agent and an extracting solvent. In brief, the conditions of the microextraction process must be optimized for the analysis of real water samples. Under the optimum conditions, a preconcentration factor, detection limit, quantification limit, linear dynamic range, and relative standard deviation of 218, 1.62 ng·mL−1, 5.42 ng·mL−1, 20.0–450.0 ng·mL−1, and 2.47% (n = 10, 20 ng·mL−1) were obtained, respectively. Finally, to assess the method’s ability, it was successfully employed to determine the U(VI) ion content in various real water, wastewater and reference material samples.

本研究采用一种基于均相溶剂的微萃取方法,特别是原位溶剂形成微萃取法,对一些实际水和废水样品中的痕量六价铀(U(VI))进行了预浓缩,并通过分光光度法对其进行了测定。这种微萃取方法使用一种独特的特定任务离子液体(IL)作为特定的络合剂和/或萃取相。成功合成了一种用(E)-5-(溴甲基)-2-(吡啶-2-基二氮烯基)苯酚修饰的吡咯烷基离子液体,作为任务特异性离子液体(E)-1-(3-羟基-4-(吡啶-2-基二氮烯基)苄基)-1-甲基吡咯烷溴化物(TSIL/Br),并通过 1HNMR 和 FTIR 分析对其进行了表征。TSIL/Br 在水相中与 U(VI)离子螯合,形成亲水性[U(VI)-TSIL/Br2]复合物,效率很高。然后通过双(三氟甲烷磺酰)亚胺(text{NTF}_2^-)等反离子剂将其转化为疏水性的[U(VI)-TSIL/(NTf2)2]复合物,以便从水溶液相中分离出来。由于 TSIL/Br 同时充当络合剂和萃取溶剂,因此该工艺无需使用单独的络合剂。简而言之,微萃取过程的条件必须针对实际水样的分析进行优化。在最佳条件下,预浓缩因子、检测限、定量限、线性动态范围和相对标准偏差分别为 218、1.62 ng-mL-1、5.42 ng-mL-1、20.0-450.0 ng-mL-1 和 2.47%(n = 10,20 ng-mL-1)。最后,为了评估该方法的能力,成功地使用该方法测定了各种实际水、废水和参考物质样品中的六(U)离子含量。
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引用次数: 0
Exploring the Interactional Behavior of a Ternary Solution of (Isoproterenol Hydrochloride + Water + β-Cyclodextrin) Using Viscosity and Conductance Techniques 利用粘度和电导技术探索(盐酸异搏定+水+β-环糊精)三元溶液的相互作用行为
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-06-12 DOI: 10.1007/s10953-024-01388-2
Vivek Pathania, Ankita Garg

In this work, the physiochemical properties of the drug, isoproterenol hydrochloride, were analyzed in the presence of β-cyclodextrin in an aqueous medium to gain a better understanding of the prevailing interactions among solute–solvent systems with the help of viscosity and conductivity studies. From viscosity measurements, the viscosity (B)-coefficient along with its transfer parameter was calculated using the Jones–Dole equation. In addition to this, the activation parameters such as (Delta {mu }_{1}^{text{o}{#}}), (Delta {mu }_{2}^{text{o}{#}}), (Delta {S}_{2}^{text{o}{#}}), and ({Delta H}_{2}^{text{o}{#}}) were evaluated and discussed to gain a better understanding of the mechanism of viscous flow in terms of transition state theory. Along with this, conductivity studies were performed to investigate the thermodynamics of the ternary system in terms of changes in Gibbs free energy. Also, the delayed critical aggregate concentration of the ternary system supports favourable interaction between the studied drug and β-cyclodextrin molecules.

在这项研究中,通过粘度和电导率研究,分析了药物盐酸异丙托品醇在β-环糊精存在的水介质中的理化性质,以便更好地了解溶质-溶剂系统之间的普遍相互作用。通过粘度测量,利用琼斯-多尔方程计算出了粘度(B)系数及其传递参数。除此之外,活化参数如(△ {mu }_{1}^{text{o}{#}}), (△ {mu }_{2}^{text{o}{#}}), (△ {S}_{2}^{text{o}{#}})、和 ({Delta H}_{2}^{text/{o}{#}}/)进行了评估和讨论,以便从过渡态理论的角度更好地理解粘性流动的机理。此外,还进行了传导性研究,从吉布斯自由能变化的角度研究了三元体系的热力学。此外,三元体系的延迟临界聚合浓度支持所研究的药物与 β-环糊精分子之间的有利相互作用。
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引用次数: 0
Biindenylidene-3,10,30-trione: An Interesting Solvatochromic Molecule and Its Applications for Visual pH Detection and DCM Identification 生物亚茚-3,10,30-三酮:一种有趣的溶色分子及其在视觉 pH 值检测和二氯甲烷鉴定中的应用
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-06-07 DOI: 10.1007/s10953-024-01386-4
Su-qian Cai, Xiao-hua Cai, Ke-feng Zhang

The development of highly sensitive and visual analytical methods for monitoring pH change has always attracted great attention due to significant roles in various fields including food, environmental and biological systems. In this paper, a dual-response sensor for pH detection, [1,2']biindenylidene-3,1',3'-trione L, was synthesized from substrate indane-1,3-dione, and its structure was confirmed by 1H NMR, 13C NMR, ESI–MS and single crystals. Interestingly, sensor L exhibits solvatochromic properties and visualized color changes at different poplar solutions, and it can show significant changes in fluorescence intensity, UV–Vis absorbance and color at moderate acidic (pH = 3.52–5.03) and strong basic conditions (pH = 13.09–13.27) based on intramolecular proton transfer (IPT) mechanism. These results indicate that L can act as a double functional probe for the analysis and visual detection of pH change under moderate acidic and strong basic conditions in a quite narrow pH range. In addition, L can also selectively identify solvent CH2Cl2 by inducing larger blue-shift in wavelength and increase in fluorescence intensity, which means that it may be used as an indicator for monitoring trace amount of CH2Cl2. The potent applicantions for sensor L were also investigated and that it could conveniently be made into a series of strips for pH detection was indicated.

由于在食品、环境和生物系统等多个领域发挥着重要作用,开发用于监测 pH 变化的高灵敏度可视分析方法一直备受关注。本文以底物茚-1,3-二酮为原料,合成了一种用于 pH 值检测的双响应传感器--[1,2']双茚-3,1',3'-三酮 L,并通过 1H NMR、13C NMR、ESI-MS 和单晶确认了其结构。有趣的是,基于分子内质子转移(IPT)机制,传感器 L 在不同的杨树溶液中表现出溶解变色特性和可视化颜色变化,在中等酸性(pH = 3.52-5.03)和强碱性(pH = 13.09-13.27)条件下,其荧光强度、紫外-可见吸光度和颜色都会发生显著变化。这些结果表明,L 可作为双功能探针,在相当窄的 pH 值范围内分析和目测中等酸性和强碱性条件下的 pH 值变化。此外,L 还能通过诱导较大的波长蓝移和荧光强度的增加来选择性地识别溶剂 CH2Cl2,这意味着它可用作监测痕量 CH2Cl2 的指示剂。此外,还研究了传感器 L 的强效应用,发现它可以方便地制成一系列条状,用于 pH 值检测。
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引用次数: 0
Solubility Measurement, Model Correlation, and Solvent Effect Analysis of Spectinomycin Dihydrochloride Pentahydrate in Three Binary Solvents 盐酸大观霉素五水合物在三种二元溶剂中的溶解度测量、模型相关性和溶剂效应分析
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-06-03 DOI: 10.1007/s10953-024-01385-5
Dechen Wang, Yu Zhou, Chunyan Liu, Ying Bao

The solubility data of spectinomycin dihydrochloride pentahydrate (SDP) in three binary solvents were determined over a temperature range of 278.15–318.15 K by the gravimetric method. Among the selected binary solvents, the solubility of SDP increased with the rise in temperature and initial methanol composition of binary solvents, and the general order of solubility of SDP under the same conditions was: (methanol + ethanol) > (methanol + n-propanol) > (methanol + i-propanol). Subsequently, solubility–temperature models including van’t Hoff equation, λh equation, Yaws equation, and Apelblat equation; solubility–solvent composition models including general single model; solubility–temperature and solvent composition models including NRTL equation and modified Jouyban–Acree model were used to correlate the solubility data. Regarding the application of the NRTL equation in binary solvent systems, the influence of solvent composition on model parameters was first taken into account by introducing a solvent composition correction factor, thereby exhibiting an enhancement in fitting accuracy. To gain deeper insights into the dissolving behavior of SDP, molecular electrostatic potential surface, Hirshfeld surface analysis and the KAT-LSER model were applied to analyze the molecular interactions between SDP molecules and the solvent effects. Meanwhile, entire solubility data in three binary solvent systems at 298.15 K were associated as a function of solvent properties on the basis of KAT-LSER model. The results revealed that SDP primarily acts as hydrogen bond acceptors in solution, and polar interactions between SDP and solvent molecules can play a crucial role in promoting the dissolution of SDP.

采用重量法测定了五水合盐酸光谱霉素(SDP)在三种二元溶剂中的溶解度数据,温度范围为 278.15-318.15 K。在所选的二元溶剂中,SDP的溶解度随着温度的升高和二元溶剂中初始甲醇成分的增加而增加,在相同条件下,SDP溶解度的一般顺序为:(甲醇+乙醇)>;(甲醇+正丙醇)>;(甲醇+异丙醇)。随后,采用了溶解度-温度模型(包括范特霍夫方程、λh 方程、Yaws 方程和 Apelblat 方程)、溶解度-溶剂组成模型(包括一般单一模型)、溶解度-温度和溶剂组成模型(包括 NRTL 方程和修正的 Jouyban-Acree 模型)来关联溶解度数据。在二元溶剂体系中应用 NRTL 方程时,首先考虑了溶剂组成对模型参数的影响,引入了溶剂组成校正因子,从而提高了拟合精度。为了深入了解 SDP 的溶解行为,应用分子静电位面、Hirshfeld 表面分析和 KAT-LSER 模型分析了 SDP 分子间的相互作用和溶剂效应。同时,在 KAT-LSER 模型的基础上,将 SDP 在 298.15 K 下三种二元溶剂体系中的全部溶解度数据作为溶剂性质的函数进行了关联分析。结果表明,SDP 在溶液中主要作为氢键受体,SDP 与溶剂分子之间的极性相互作用对促进 SDP 的溶解起着至关重要的作用。
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引用次数: 0
Insights into the Methyl Lactate and C4–C7 Alkanol Interactions from Densities, Viscosities, and CPA Modeling 从密度、粘度和 CPA 建模了解乳酸甲酯和 C4-C7 烷醇的相互作用
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-05-23 DOI: 10.1007/s10953-024-01389-1
Mohammad Almasi

The investigation carried out in this study focused on exploring the hydrogen bonding structure of liquid solutions of methyl lactate and 1-alkanols include 1-butanol, 1-pentanol, 1-hexanol, and 1-heptanol. To analyze the interactions between the molecules, the researcher utilized the cubic-plus-association (CPA) model, which takes into account both the physical and association interactions. The maximum deviation observed in the density of the liquid solutions of methyl lactate with 1-heptanol was 0.28%, indicating the effectiveness of the CPA model in accurately modeling the density. Additionally, the researchers calculated the excess molar volumes and deviation in viscosity for the studied liquid mixtures. The analysis of these measurements revealed that the solutions of methyl lactate with 1-alkanols exhibited positive excess molar volumes across the entire concentration range. On the other hand, negative viscosity deviations were observed for the mentioned alkanols. These findings suggest that there are weak intermolecular associations within the liquid solutions, with weaker bond strength observed in higher alkanols.

本研究的重点是探索乳酸甲酯和 1-烷醇(包括 1-丁醇、1-戊醇、1-己醇和 1-庚醇)液态溶液的氢键结构。为了分析分子间的相互作用,研究人员使用了立方加联结(CPA)模型,该模型同时考虑了物理和联结相互作用。在乳酸甲酯与 1-庚醇的液体溶液中观察到的密度最大偏差为 0.28%,这表明 CPA 模型在准确模拟密度方面非常有效。此外,研究人员还计算了所研究液体混合物的过量摩尔体积和粘度偏差。对这些测量结果的分析表明,乳酸甲酯与 1-烷醇的溶液在整个浓度范围内都表现出正的过剩摩尔体积。另一方面,上述烷醇的粘度偏差为负值。这些发现表明,在液体溶液中存在微弱的分子间联系,在较高的烷醇中观察到较弱的键强度。
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引用次数: 0
Special Issue on ICSC 37 国际公务员制度委员会第 37 期特刊
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-05-20 DOI: 10.1007/s10953-024-01396-2
Edgar F. Vargas
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引用次数: 0
Special Issue on IUPAC 38th Edition of the International Conference on Solution Chemistry 第 38 届国际理论化学和应用化学联合会(IUPAC)溶液化学会议特刊
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-05-14 DOI: 10.1007/s10953-024-01393-5
Marija Bešter-Rogač, Slobodan Gadžurić
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引用次数: 0
Effect of Salt Mixtures on Aqueous Two-Phase System Composed of PEG 35000: Experiment and Correlation 盐混合物对 PEG 35000 组成的水性两相体系的影响:实验与相关性
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-05-07 DOI: 10.1007/s10953-024-01381-9
Hossein Dashti Khavidaki, Zahra Asadi, Alireza Salabat

An aqueous two-phase system (ATPS) composed of PEG35000, Na2CO3, K2CO3, and their mixtures at 298 K was studied. The liquid–liquid equilibrium (LLE) of these systems, including binodal curves, tie-lines, tie-line length, and slope of the tie-line, were obtained. Additionally, for the first time, salt mixtures with different initial mass ratios of 1:3, 1:1, and 3:1 were used to prepare the aqueous two-phase systems. The effect of electrolyte and salting-out power for these systems was examined and compared. Consistent with the literature, it was found that the salting-out power of Na+ is higher than that of the K+ cation. Furthermore, in Na2CO3 and K2CO3 mixtures, increasing the amount of sodium ions resulted in stronger salting-out power. The LLE data was correlated with the Othmer-Tobias, Bancroft, and Setschenow models, and good agreement was found with all three models.

研究了在 298 K 下由 PEG35000、Na2CO3、K2CO3 及其混合物组成的水性两相体系(ATPS)。研究获得了这些体系的液液平衡(LLE),包括双曲线、平衡线、平衡线长度和平衡线斜率。此外,还首次使用了初始质量比为 1:3、1:1 和 3:1 的不同盐混合物来制备水性两相体系。研究并比较了电解质和出盐量对这些体系的影响。研究发现,Na+ 的脱盐能力高于 K+阳离子,这与文献报道一致。此外,在 Na2CO3 和 K2CO3 混合物中,增加钠离子的数量会导致更强的脱盐能力。将 LLE 数据与 Othmer-Tobias、Bancroft 和 Setschenow 模型进行了关联,结果发现这三种模型的一致性都很好。
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引用次数: 0
A Review of Background and Application of ATPSs in Protein and Enzyme Extraction ATPS 在蛋白质和酶提取中的背景和应用综述
IF 1.4 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-05-06 DOI: 10.1007/s10953-024-01380-w
Erfan Nouri, Gholam Khayati

This review article provides an overview of the fundamental background and application of aqueous two-phase systems (ATPSs) in protein and enzyme extraction. The types of ATPSs, including polymer/salt, polymer/polymer, alcohol/salt, surfactant-based, and ionic liquid-based ATPSs, are discussed, along with the unconventional ATPSs. Factors affecting partitioning in ATPSs, such as molecular weight and polymer concentration, pH, temperature, hydrophobicity, and affinity, are also examined. The article then focuses on the application of ATPSs in protein and enzyme extraction, including continuous processing and scaling-up. The future prospects, challenges, and limitations of ATPSs in this field are discussed, along with the challenges associated with their use in industry. The results section highlights the potential of citrate green salts as an alternative to sulfate and phosphate salts in salt-based ATPSs and the need for more research on using ionic liquids as an additive in ATPS types for protein and enzyme extraction. Overall, this review suggests combining cheap and environmentally friendly materials in ATPSs can be a practical solution for using ATPSs in the industry.

这篇综述文章概述了水相两相体系(ATPS)的基本背景以及在蛋白质和酶萃取中的应用。文章讨论了 ATPS 的类型,包括聚合物/盐、聚合物/聚合物、醇/盐、表面活性剂和离子液体型 ATPS,以及非常规 ATPS。文章还探讨了影响 ATPS 中分配的因素,如分子量和聚合物浓度、pH 值、温度、疏水性和亲和性。然后,文章重点介绍了 ATPS 在蛋白质和酶提取中的应用,包括连续加工和放大。文章讨论了 ATPS 在这一领域的未来前景、挑战和局限性,以及在工业中使用 ATPS 所面临的挑战。结果部分强调了柠檬酸绿盐在盐基 ATPS 中替代硫酸盐和磷酸盐的潜力,以及将离子液体作为添加剂用于蛋白质和酶提取 ATPS 类型的更多研究需求。总之,本综述表明,在 ATPS 中结合廉价且环保的材料是在工业中使用 ATPS 的切实可行的解决方案。
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引用次数: 0
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Journal of Solution Chemistry
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