ANALYTICA CHIMICA ACTA
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2020
·
IF 5.977
Xiao Li,Jia Chen,Heng Wang,Xuanxuan Wang,Yuxiu Xiao
Hexafluoroisopropanol-alkanol (C 6 –C 12 ) supramolecular solvents were proposed and their application potential as restricted access extraction solvents was assessed. Hexafluoroisopropanol acts as alkanol reverse micelle-forming agent and density-regulating agent for the supramolecular solvent synthesis. The formation of supramolecular solvent only needs a small percentage of hexafluoroisopropanol (<10% v/v for alkanol <5% v/v) and is almost not affected by the pH (2-11) and low ionic strength (NaCl <3%, w/v) of aqueous medium. The supramolecular solvents have higher density than water and consist of reversed micellar aggregates with irregular mesh structures and hydrophilic inner cavities, and the hydrophilic cavity size is obviously dependent on the hexafluoroisopropanol amount in the bulk system but almost not relevant to the alkanol amount. The hydrogen-bond and hydrophobic interactions of hexafluoroisopropanol with alkanol and the hydrogen-bond force between hexafluoroisopropanol and water play crucial roles in the formation of supramolecular solvent. The supramolecular solvents not only do not or slightly dissolve macromolecules (proteins, polysaccharides , and humic acid sodium), but also can effectively exclude them in extraction procedure ; meanwhile, they can extract small molecules from complex samples with high extraction rate (even near 100% through optimization). The extraction mechanism involves the hydrophilic inner cavity size of supramolecular aggregates and the interactions (hydrogen-bond, hydrophobic) between supramolecular solvent and analytes. The suitability of supramolecular solvents as extractants was evaluated by extracting and determining chlorophenols in real water samples, coupled with high performance liquid chromatography-ultraviolet detector. The enrichment factors of 72–147 were obtained. Limits of detection were from 0.38 to 0.57 ng mL −1 . The recoveries ranged from 96.0 to 107.9%, and intra-day and inter-day precisions were less than 4.0%. The novel hexafluoroisopropanol-alkanol supramolecular solvents have promising potential as restricted access extractants.
研究领域:
分析化学
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环境科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
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2020
·
IF 4.049
Jian Yang,Xue Zhang,Yasen Mijiti,Yakun Sun,Man Jia,Zhaosheng Liu,Yanping Huang,Haji Akber Aisa
The topic in the present paper is to prepare molecularly imprinted polymer (MIP) using the template molecule with low purity. For the first time, a surrounding of macromolecular crowding was established to promote the formation of the complex of the template with functional monomer efficiently thus highly pure template molecule was unnecessary. In this study, the MIP monolith was synthesized using low purity lactucopicrin as template in place of highly pure one, and polystyrene was used as macromolecular crowding agent. 4-Vinylpyridine and ethyleneglycol dimethacrylate were used as functional monomer and crosslinker, respectively. Polymerization parameters, including the ratio of functional monomer/template, various template concentrations, and PS concentration on the affinity of the resulting MIP were systematically investigated. For the lactucopicrin MIP made with the purity of lactucopicrin of 92%, the imprinting factor can be up to 2.2. The resulting MIP was filled in solid phase extraction (SPE) cartridge to purify lactucopicrin from the crude extract of Cichorium glandulosum Boiss. et Huet. After two cycles of MIP SPE for the crude extract, the highest recovery and purity of lactucopicrin was 64.8% and 97.8%, respectively. The results indicated that the use of macromolecular crowding agent is an effective method for improving the performance of the MIP prepared with the template of low purity, particularly valuable to the cases in which the highly pure target molecule is hard to be obtained.
研究领域:
化学
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生物学
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DOI
PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2021
·Vol. 22
·期 15
·8250
·
IF 5.924
Shanmeiyu Zhang,Yanyan Zhang,Chongchong Wu,Hui Yang,Qiqi Zhang,Fuyi Wang,Jingyi Wang,Ian Gates,Jinben Wang
Although small water clusters (SWCs) are important in many research fields, efficient methods of preparing SWCs are still rarely reported, which is mainly due to the lack of related materials and understanding of the molecular interaction mechanisms. In this study, a series of functional molecules were added in water to obtain small water cluster systems. The decreasing rate of the half-peak width in a sodium dodecyl sulfate (SDS)–water system reaches ≈20% at 0.05 mM from17O nuclear magnetic resonance (NMR) results. Based on density functional theory (DFT) and molecular dynamics (MD) simulation calculation, it can be concluded that functional molecules with stronger negative electrostatic potential (ESP) and higher hydrophilicity have a stronger ability to destroy big water clusters. Notably, the concentrations of our selected molecule systems are one to two magnitudes lower than that of previous reports. This study provides a promising way to optimize aqueous systems in various fields such as oilfield development, protein stability, and metal anti-corrosion.Keywords:water cluster;functional molecule;molecular interaction
研究领域:
化学
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材料科学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MEMBRANE SCIENCE
·
2024
·
IF 8.4
Xiaoli Wu,Xingya Huang,Yongzheng Wang,Jingjing Chen,Ye Wan,Jianhua Liu,Wenpeng Li,Jingtao Wang
Two-dimensional (2D) lamellar membranes are favored over other membrane materials. However, the molecule transport behaviors in confined 2D nanochannels remain ambiguous, specifically the role of interlayer spacing which determines the confined effect. Herein, vertically-aligned nanochannel membranes with adjusted interlayer spacing (0.6 nm, 2.1 nm, and 3.9 nm) were fabricated by vermiculite lamellar membranes. These robust and long-range 2D nanochannels maintain stable molecule configuration state throughout the transport process, providing ideal platforms for investigating molecule transport behaviors. We demonstrate that molecules with weak molecule-molecule interactions (mainly nonpolar molecules) continuously collide with each other in the nanochannels. The extremely confined nanochannels (0.6 nm) restrict the random molecule collision and permit the oriented flow along transport direction, thus offering the highest transport efficiency. In contrast, molecules in wider nanochannels (3.9 nm) collide randomly, impairing the velocity of molecules or even compelling some of them to move to the adverse flow direction. This consumes cohesive energy and leads to lower permeance. The transport rate of benzene reaches over 130 L m -2 h -1 bar -1 nm -1 for 0.6 nm-nanochannel membrane, which is 8 times higher than that of 3.9 nm-nanochannel membrane. Compared to nonpolar molecules, the strong molecule-molecule and molecule-channel interactions for polar molecules would weaken this collision effect, thus the difference of transport rate is relatively small with nanochannel size.
研究领域:
材料科学
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化学工程
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产品关联
DOI
高影响因子
IONICS
·
2019
·Vol. 26
·期 2
·1039-1044
·
IF 2.289
Deng Peng,Ren Hui,Jiao Qingjie
NaClO 4 -based molecular perovskite (H 2 dabco)[Na(ClO 4 ) 3 ] combined with the inorganic oxidizer and organic fuel was prepared by molecular assembly strategy. The high-yield samples were obtained by the one-pot reaction of NaClO 4 , HClO 4 , and triethylenediamine (dabco). The thermal analysis results showed molecular perovskite (H 2 dabco)[Na(ClO 4 ) 3 ] with ABX 3 -type closely ternary molecular stacking structure had a lower decomposition temperature (381.7 °C) and a higher heat release (2770 J/g) than NaClO 4 (569.2 °C and 353 J/g). The apparent activation energy of thermal decomposition process was reduced by 25 kJ/mol from 184.8 kJ/mol of NaClO 4 to 159.8 kJ/mol of (H 2 dabco)[Na(ClO 4 ) 3 ]. A synergistic catalysis thermal decomposition mechanism was proposed. The H 2 dabco 2+ from the unique ternary molecular perovskite structure can be favorable for proton excitation under thermal stimuli, and promote the formation of HClO 4 and superoxide radical anions ·O 2 − further, resulted in the redox thermal decomposition reaction between oxidizer ClO 4 − and fuel dabco more completely.
研究领域:
化学
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材料科学
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燃烧与爆炸领域
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产品关联
DOI
高影响因子
NEW JOURNAL OF CHEMISTRY
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2013
·Vol. 37
·期 8
·2358-2368
·
IF 2.966
Yanrong Zhang,Qin Tu,Dong-En Wang,Yun Chen,Bingzhang Lu,Mao-Sen Yuan,Jinyi Wang
The supramolecular interaction between the host molecule β-cyclodextrin (β-CD) and the guest molecule adamantane is extensively applied in several disciplines. However, recent studies on the applications of this molecular recognition mainly focused on glass, silicon, and gold substrates. Few studies have explored the field of poly(dimethylsiloxane) (PDMS), an optically transparent elastomer widely used in biological microfluidic devices. In the present study, various functional group-modified adamantyl-terminated dendronized molecules were synthesized via an efficient and facile route. The binding of adamantyl-terminated dendronized molecules onto β-CD-conjugated PDMS surfaces and their reversible dissociation from PDMS surfaces through the competitive mechanism of β-CD-N3 were studied. The results showed that the dissociation is relatively slow compared with the binding, and the former process can be accelerated through exchanging the original β-CD-N3 solution with a fresh one. Afterward, more complex multilayer assemblies were constructed on PDMS surfaces using the host–guest interaction between adamantane and β-CD as well as between biotin and streptavidin. A further study on the association and dissociation of the established multilayer assemblies showed that the assembly constructed with a biotinylated monoadamantyl-terminated molecule has a reversible property, whereas that with a biotinylated triadamantyl-terminated molecule has an irreversible property. These results demonstrated that the reversible properties of the fabricated assembly can be easily modulated on the PDMS surfaces by regulating the valence of the supramolecular interaction between adamantane and β-CD.
研究领域:
材料科学
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生物医学工程
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化学
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产品关联
DOI
高影响因子
ACS Nano
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2024
·
IF 15.8
Fengru Zheng,Qi Huang,Juan Xiang,Zhiwen Zhu,Jiayi Lu,Jinyang Xu,Zhaofeng Liang,Lei Xie,Fei Song,Qiang Sun
On-surface molecular self-assembly presents an important approach to the development of low-dimensional functional nanostructures and nanomaterials. Traditional strategies primarily exploit hydrogen bonding or metal coordination, yet the potential of chalcogen bonding (ChB) for on-surface self-assemblies remains underexplored. Here, we explore fabricating molecular networks via tellurium (Te)-directed chalcogen-organic interactions. Employing carbonitrile molecules as molecular building blocks, we have achieved extended 2D networks exhibiting a 4-fold binding motif on Au(111), marking a notable difference from the conventional coordinative interaction involving transition metals. Our findings, supported by density functional theory (DFT) and scanning tunneling spectroscopy (STS), show that the Te-carbonitrile interaction exhibits lower stability compared to the metal–organic coordination, and the construction of the Te-directed molecular networks does not alter the electronic properties of the involved molecules. Introducing chalcogen-directed interactions may expand the spectrum of strategies in supramolecular assembly, contributing to the design of advanced molecular architectures for nanotechnological applications.
研究领域:
材料科学
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化学
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2020
·
IF 4.006
Wei Jia,An Du,Zibian Fan,Rong Zhang,Yunlong Li,Qingyun Shi,Lin Shi,Xiaogang Chu
A special storage container called Mare Nectaris bears a close relationship with Feng-flavor Baijiu quality during aging. The goal of this work is to unveil molecular mechanism of the role of Mare Nectaris in the Feng-flavor Baijiu aging as well as establishes a classification method of vintage Baijiu. Based on ultra high performance liquid chromatography quadrupole-orbitaltrap high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS), most micromolecules especially nonvolatile molecules in Baijiu can be accurately identified and in total of 45 characteristic molecules were discovered through application of the principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA), variable importance in projection (VIP). With the increase of aging year, in addition to 5-fluoro-2,3,4-three chlorobenzoic acid decreased, the other 44 components showed remarkable up-regulation, concretely comprising 10 kinds of esters, 6 organic acids, 8 amino acids , 11 bioactive components and 9 other components. By utilizing artificial neural network recognition model which used 45 characteristic molecules as inputs and 8 groups various aging years as outputs, the prediction accuracy of Baijiu vintage was up to 100%.
研究领域:
食品科学
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分析化学
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DOI
高影响因子
RSC Advances
·
2022
·Vol. 12
·期 15
·9342-9350
·
IF 4.036
Yuyi Zhang,Wei Zhang,Yajie Bian,Yiting Liu,Xiaolei Zhang,Mengdi Chen,Bingwen Hu,Qingyuan Jin
Zeolitic imidazolate framework-8 (ZIF-8) is one of the most promising metal–organic frameworks because of its excellent high porosity, stability and geometrically well-defined structure. However, the application of ZIF-8 in the field of fluorescent molecular sensing has not been intensively explored. Our work demonstrates the versatility of ZIF-8 as a carrier material, which can be used for small molecule [2-(2-hydroxyphenyl)-1H-benzimidazole (HPBI)] capture and fluorescence enhancement. ZIF-8 displays luminescent behavior changes when combined with HPBI, as the emission peaks of ZIF-8 and HPBI are located in the same range for resonance enhancement of fluorescence. The results of the experiment indicate that the fluorescence enhancement effect will change in the presence of different concentrations of HPBI. We propose that the pore structure of ZIF-8 could provide an opportunity for the adsorption of HPBI molecules, and eventually the adsorption would saturate. The high porosity of ZIF-8 provides the path to HPBI aggregation or entrance into the ZIF-8 internal structure. Our results suggest that ZIF-8 may offer great promise for molecular fluorescence sensing.
研究领域:
材料科学
·
化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
·
2023
·
IF 3.4
Wen Sun,Jin-Di Xu,Wei Zhang,Meng-Fei Guo,Ming Kong,He Zhu,Shan-Shan Zhou,Cheng-Yin Wu,Song-Lin Li,Qian Mao
Callicarpae Formosanae Folium (CFF), derived from the leaves of Callicarpa formosana Rolfe, is a common Chinese medicinal herb used for the treatment of hematemesis . Phytochemical studies found that phenylpropanoids , flavonoids , terpenoids and polysaccharides were the main ingredients of CFF. However, there is limited scientific information concerning holistic quality method and quality consistency evaluation of CFF. In this study, a strategy integrating HPGPC-ELSD, HPLC-PDA, UV–VIS and UPLC-QTOF-MS/MS was firstly developed to simultaneously qualify and quantify polysaccharides, as well as representative small molecules in CFF. HPGPC-ELSD was applied to characterize the molecular weight distribution of polysaccharides, HPLC-PDA was developed to qualitatively and quantitatively determine monosaccharides . UV-VIS was used to determine the total polysaccharides content, and UPLC-QTOF-MS/MS was established to characterize the small molecules. The quality consistency of commercial CFF (CM-CFF) was also evaluated. It was shown that the relative molecular weights , the compositional monosaccharides and small molecules composition in CM-CFF and self-collected CFF (SC-CFF) samples were similar. A total of 32 small molecules including 6 phenylpropanoids, 7 flavonoids and 19 terpenoids were characterized in CFF. However, the variation was observed in the content of polysaccharides, luteolin , ursolic acid , as well as total contents of terponoids in CM-CFF samples, which implied that the holistic quality of CM-CFF was inconsistent. The results suggested that the proposed evaluation strategy could be applied as a potential approach for the quality control of CFF. And the quality of CM-CFF should be improved by Good Agriculture Practice (GAP) base and standard processing method.
研究领域:
中药学
·
分析化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2016
·
IF 2.74
Yong Zhou,Yongli Huang,Zengsheng Ma,Yinyan Gong,Xi Zhang,Yi Sun,Chang Q. Sun
A combination of the differential Raman spectrometrics and contact-angle measurements has enabled resolution of the hydrogen bond (HB, O:H O) relaxation and molecular dynamics in the NaX hydration shells. Observations suggest that the aqueous ions create each an electric field to form the hydration shells through O:H O bond elongation and polarization. The ionic polarization shares the same, and even stronger, effect of molecular undercoordination that shortens the H O bond and stiffen its phonon , and meanwhile, the O O Coulomb repulsivity lengthen and soften the O:H nonbond with an association of polarization. O:H O bond electrification raises not only the structure order of molecules and the viscosity in the hydration shells but also the skin stress and thermal stability of the solution. Exercises not only deepen our insight into the salt solute-solvent interaction involved in the Hofmeister series in terms of O:H O bond electrification but also provide a powerful means quantifying the dynamic, local, molecular-site-resolved information regarding the O:H O bond cooperativity in aqueous solutions.
研究领域:
物理化学
·
分子生物学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR LIQUIDS
·
2019
·
IF 4.561
Xingyu Liu,Jinwei Gao,Guofu Zhou,Wanqiang Liu,Qianming Wang,Yuhui Zheng
The colloidal synthesis of nanoscale perovskites has generated intensive interests very recently and most of the preparation processes are performed in organic phases due to requirement of maintaining the stability. Since the exploration of CsPbX 3 assembly in aqueous medium is still rarely reported in recent years, we use the simple organic building block (2-methylimidazole, MEIM) for the first time to collect the mixture of two metal precursors (CsBr and PbBr 2 ) and CsPbBr 3 /MEIM nanocrystals have been perfectly formed with the aid of the effective organic layer in terms of coordination interactions with metal ions . Such lead halide perovskite material with diameters of 8–10 nm possesses stable and green-emitting feature in pure water. Extensive experimental conditions including reaction time, reagent ratio, addition sequence, pH/temperature dependence and solvent effect have been investigated in details. This study finds a new way to the controllable synthesis of perovskite nanoparticles in eco-friendly solvents and represents a next generation target material for utilization in opto-electronic fields.
研究领域:
材料科学
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）