ANALYTICA CHIMICA ACTA
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2023
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IF 6.2
Miao Zhang,Rana Dalapati,Jiangfan Shi,Chenglong Liao,Qingyun Tian,Chuanyi Wang,Xiaomei Yang,Shuai Chen,Marc D. Porter,Ling Zang
This paper describes the development and proof-of-concept testing of an easy-to-use trace analysis technique, namely F-SPE, by coupling fluorescent sensor with solid phase extraction (SPE). F-SPE is a two-step methodology that concentrates an analyte from a liquid sample onto a fluorophore-modified membrane and measures the amount of analyte from the extent the extracted analyte quenches the emission of the fluorophore. By applying the principle of negligible depletion (ND) intrinsic to SPE , the procedure of F-SPE for analyzing a sample can be markedly simplified while maintaining the ability to detect analytes at low limits of detection (LOD). The merits of this approach are demonstrated by impregnating a SPE membrane with a perylene diimide (PDI) fluorophore, N,N′-di(nonyldecyl)-perylene-3,4,9,10-tetracarboxylic diimide (C9/9-PDI), for the low-level detection of organic amines (e.g., aniline) and amine-containing drugs (e.g., Kanamycin). The sensing mechanism is based on the donor-acceptor quenching of PDI by amines, which, when coupled with the concentrative nature of SPE, yields LODs for aniline and Kanamycin of 67 nM (∼6 ppb) and 32 nM (∼16 ppb), respectively.
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DYES AND PIGMENTS
·
2022
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IF 5.122
Yujiao Tu,Ze Liu,Lei Jiang,Yingying Xiang,Fei Song,Lifen Meng,Xiuling Ji,Lin Yuan
New coccine is one of the most used red colorants in foods. Due to its cytotoxicity, quantitative determination is very necessary. Herein, the ratiometric fluorescent and UV absorption dual-mode nanosensor , derived from fangchinoline and o-phenylenediamine, was successfully prepared by hydrothermal way. The prepared carbon dots with three colors were purified with dialysis, thin layer chromatography and chromatographic column. Highly green fluorescence of Fan,N-CDs was quenched by new coccine with inner filter effect. The dependence of the ratiometric fluorescent response on new coccine concentrations was found linear over the range of 0–12.5 μM and 20–55 μM with LOD of 30.12 nM and 54.85 nm, respectively. The linearity of UV absorption ranged from 0 to 45 μM with of LOD 1.98 nM. In addition, the nanosensor was used to determine new coccine in energy drinks, carbonated beverage, gum and ketchup. It provides a new insight on the detection of new coccine by the dual-mode nanosensor.
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CARBOHYDRATE POLYMERS
·
2022
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IF 10.723
Chuangchuang Zhang,Zekun Xu,Xingxun Liu,Mengting Ma,Sumbal Khalid,Matteo Bordiga,Zhongquan Sui,Harold Corke
The effects of starch granule-associated surface lipids removal on hull-less barley starch structure formed by heat-moisture treatment were investigated. Removing surface lipids made the peak at 2θ of 13 ° disappear and resulted in higher lamellar peak intensity after harsh treatment and a lower reduction in mass fractal dimension (from 2.49 to 2.43) and radius of gyration (from 24.3 to 24.0) when temperature increased from 100 to 120 °C at 20 % moisture. Treatment at 25 % moisture and 120 °C decreased relative crystallinity (from 15.73 % to 7.43 %) and Gaussian peak area (from 646.7 to 137.7) of native starch, and decreased relative crystallinity (from 14.24 % to 12.56 %) and Gaussian peak area (from 604.1 to 539.6) for starch without surface lipids. Different trends of change in lamellar thickness, linear crystallinity, peak temperatures, and enthalpy of gelatinization were observed among modified starches with increasing temperature and/or moisture content. These results demonstrate that removing surface lipids changes structure of heat-moisture treated starch.
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JOURNAL OF RAMAN SPECTROSCOPY
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2022
·Vol. 54
·期 2
·191-200
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IF 2.727
Yuhao Xie,Siwei Yang,Shenghua Zhou,Jiazhen Liu,Shuai Zhao,Shangzhong Jin,Qiang Chen,Pei Liang
Raman spectroscopy is widely used in the identification of substances. Raman spectra contain molecular information from various components and interference from noise and instruments. Therefore, using Raman spectroscopy to identify components is still challenging, especially for substances with high similarity. In this study, a class of highly similar products (methanol and ethanol) and a multicomponent mixture of propanol and water were tested using a portable Raman spectrometer. They are divided into 11 categories according to the volume fraction ratio. A total of 5,060 groups of Raman spectrum data were obtained, constituting the data set of this study. The deep neural network structure adopted in this study is based on ResNet architecture, on which the SE module in the attention mechanism is added, which increases the weight of some spectral features and achieves significant performance improvement. Finally, SE-ResNet achieves a recall of 0.95, a precision rate of 0.95, a Micro-F1 of 0.95, and an accuracy rate of 99.20%.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Zhengxu Li,Hao Wu,Baifeng Hu,Jin Guo,Yuxiang Liu,Han Yue,Hongkang Zhao,Qunsheng Li
The solubility of 2′,4′-dihydroxyacetophenone (2′,4′-DHAP) in 10 monosolvents (methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, methyl acetate, ethyl acetate, propyl acetate, and benzene) and two binary solvents (ethanol + ethyl acetate and n-propanol + ethyl acetate) was determined using a gravimetric method at 101.3 kPa from 293.15 to 333.15 K. The experimental solubility was demonstrated to increase with the increasing temperature. The solubility of 2′,4′-DHAP is the highest in pure isopropanol, and the two binary solvents present a solubilizing effect on the solute. Furthermore, six thermodynamic models were employed to fit the solid–liquid equilibrium data, and the correlation results manifested that the modified Apelblat model had minimum ARD values of less than 1%. Finally, the KAT-LSER model was employed to analyze the solvent effect at 298.15 K. The results show that the contribution of the four interaction types α, β, π*, and δH account for 15.84%, 15.30%, 18.33%, and 50.53% of the total interaction force, respectively, and the solvent–solvent interaction represented by δH is the dominant factor affecting the solubility of 2′,4′-DHAP.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2022
·
IF 9.136
Qinlan Luo,Yan Ouyang,Shumin Hong,Nan Wang,Yuanyuan Li,Hongxia Gao,Gyeong S. Hwang,Bohak Yoon,Teerawat Sema,Paitoon Tontiwachwuthikul,Peng Luo,Chintana Saiwan,Zhiwu Liang
To explore the regulatory factor of phase separation and the effect of solvent structure, the phase separation behavior, absorption/desorption performance, viscosity change, heat duty and ternary phase diagram of 3 monoethanolamine(MEA)-based phasic absorbents using 3 alcohols with various carbon chain lengths and isomers were determined by comprehensive experiments. The tunable phase separation behavior of MEA-based biphasic absorbents can be achieved by adjusting the mass concentration ratio of solvent and water, and the CO 2 loading of phase separation point was much more impacted by the effect of the carbon chain length than that of isomerism. The intermolecular interactions between species in solutions before and after CO 2 absorption were analyzed by the classical molecular dynamics simulations and independent gradient model analysis. Based on the experimental and computational results, the fundamental mechanism of phase separation was elucidated, which is related to the broken of hydrogen bonds between solvent with H 2 O or MEA, and the enhanced interaction among MEACOO − , MEAH + and H 2 O. This study highlights the effect of structure effect on developing advanced CO 2 biphasic absorbents, which may reduce the energy consumption of regeneration significantly.
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Frontiers in Microbiology
·
2023
·
IF 5.2
Song Wei,Xin Jiaying,Yu Chong,Xia Chungu,Pan Yu
Ferulic acid (FA) is a natural antibacterial agent rich in plants, FA has excellent antioxidant and antibacterial properties. However, because of its short alkane chain and large polarity, FA is difficult to penetrate the soluble lipid bilayer in the biofilm to enter the cell to play an inhibitory role, limiting its biological activity. To improve the antibacterial activity of FA, with the catalytic condition of Novozym 435, four alkyl ferulic acid esters (FCs) with different alkyl chain lengths were obtained by fatty alcohols (including 1-propanol (C3), 1-hexanol (C6), nonanol (C9), and lauryl alcohol (C12)) modification. The effect of FCs on P. aeruginosa was determined by Minimum inhibitory concentrations (MIC), minimum bactericidal concentrations (MBC), Growth curves, alkaline phosphatase (AKP) activity, crystal violet method, scanning electron microscopy (SEM), membrane potential, PI, cell contents leakage. Results showed that the antibacterial activity of FCs increased after esterification, and the antibacterial activity significantly increased and then decreased with the extension of the alkyl chain of the FCs. Hexyl ferulate (FC6) showed the best antibacterial activities against E. coli and P. aeruginosa (MIC for E. coli was 0.5 mg/ml, MIC for P. aeruginosa was 0.4 mg/ml). And Propyl ferulate (FC3) and FC6 showed the best antibacterial activities S. aureus and B. subtilis (MIC for S. aureus was 0.4 mg/ml, The MIC of B. subtilis was 1.1 mg/ml). In addition, the growth, AKP activity, bacterial biofilm, bacterial cell morphology, membrane potential and cell contents leakage of P. aeruginosa after different FCs were investigated, which found that FCs could damage the cell wall of P. aeruginosa and showed different effects on the P. aeruginosa cell biofilm. FC6 showed the best inhibition on the biofilm formation of P. aeruginosa cells, which caused the surface of P. aeruginosa cells to be rough and wrinkled. Some P. aeruginosa cells showed aggregation and adhesion, even rupture. The membrane hyperpolarization was obvious, which appeared as holes, leading to cell contents leakage (protein and nucleic acid). All these results concluded that the antibacterial activities FCs against foodborne pathogens depended on different fatty alcohol esterification of FA. FC6 showed the best inhibition on P. aeruginosa due to its effect on P. aeruginosa cell walls and biofilms and the leak of the cell contents. This study provides more practical methods and a theoretical basis for giving full play to the bacteriostatic effect of plant FA.
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JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Boxuan Lou,Yue Xu,Xiaolan Qin,Chang Liu,Shujun Wang,Haikuan Yuan,Xijian Liu,Lijuan Zhang,Jie Lu
In this work, the solubility of unsolvated crystalline (R)-equol in six (alcohols + n -heptane) binary solvents and that of solvated crystalline (R)-equol in methanol along with ethanol were firstly systematically measured and analyzed. The experimental results revealed that the solubility of unsolvated crystalline (R)-equol was positively correlated with temperature and mass fraction of alcohol. And the solubility order was 2-propanol > 1-propanol > 1-butanol > 1-pentanol > 3-methyl-1-butanol > 2-methyl-1-propanol > n -heptane. The transformation temperatures between unsolvated and solvated forms were acquired at 316.28 K and 310.50 K, respectively. Meanwhile, the experimental solubility data of unsolvated crystalline (R)-equol were correlated using modified Apelblat, λh , quartic polynomial and CNIBS/R-K equations, in which the modified Apelblat equation achieved the best regression performance. Besides, the dissolution of unsolvated crystalline (R)-equol was endothermic. Furthermore, solvent parameters, solvation free energy and molecular electrostatic potential surface obtained through molecular simulation were used to explain the experimental phenomena, and found the polarity of solvents, van der Waals and hydrogen bonding interactions made different contributions to various dissolution processes.
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ANALYTICA CHIMICA ACTA
·
2023
·
IF 6.2
Chendi Zhu,Hai Han,Zhiwei Chen,Yuan Shen,Qiaoxuan Zhang,Cai Bao,Jia-Huan Qu,Qiqin Wang,Zhengjin Jiang
Selective enrichment and analysis of therapeutic antibodies in biological fluids are crucial for the development of biopharmaceuticals. Recently, peptide-based affinity chromatography has exhibited fascinating prospects for antibody enrichment due to the high affinity and specificity of small peptides. However, the post-modification approach of peptide ligands on the material surface is complicated and time-consuming. In this study, a methacrylate modified tetrapeptide ( m -EDPW) was firstly demonstrated as the affinity ligand of trastuzumab ( K d = 1.91 ± 1.81 μM). Next, the m -EDPW based affinity monolith was prepared using a facile one-step polymerization method, which could overcome the drawbacks of traditional post-modification preparation strategies. Based on the monolith as described above, a simple enrichment approach was developed under the optimal washing and elution conditions. Based on the excellent properties, such as high porosity (53.09%), weak electrostatic interaction and suitable affinity (1.00 ± 2.14 μM for anti-HER2 ADC), this novel monolith exhibited good specificity and recovery for antibodies (91.6% for trastuzumab, 98.37% for anti-HER2 ADC), and low nonspecific adsorption for human serum albumin (DBC 10% = 0.5 mg/g polymer). Particularly, this material was successfully applied to enrich trastuzumab and its related antibody-drug conjugate (ADC) from different cell culture medias. The dynamic tracking analysis of ADC in the critical quality attributes (e.g., charge variants, drug to antibody ratio and subunit conjugation ratio) was also achieved by combining the enrichment approach, capillary electrophoresis or reversed phase liquid chromatography . In summary, the exploited peptide-based mimotope affinity materials showed a great potential for the application in biopharmaceutical analysis.
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JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Xinyu Ma,Pan Du,Ben Niu,Jiaxuan Zhang,Huaisong Yong,Xianru He
Though the mechanism of temperature-induced lower critical solution temperature (LCST) in water is clear for the classic homopolymer poly( N -isopropylacrylamide) (PNIPAM), the LCST of other homopolymer or copolymer remains to be understood. In this work, a novel random copolymer poly(2-hydroxyethyl- co -methyl acrylate) (P(HEA- co -MA)) was prepared. The LCST of the copolymer P(HEA- co -MA) can vary from 11 °C to 65 °C by adjusting flexibly the ratio of the two monomers, showing a broad tunable range. The experimental results showed that the balance of hydrogen bond bridge formed by P(HEA- co -MA) in water and the hydrophobic interaction between polymers can cause the LCST transition of P(HEA- co -MA). An interesting observation is that the sharp phase transition (cosolvency) of P(HEA- co -MA) exists when a rather small amount of alcohol or water is added in polymer solutions at constant temperatures. Moreover, it was found that the increase of LCST is correlated with the increase of alcohol concentration in the water-rich regime, but the decrease of upper critical solution temperature (UCST) is related to the increase of water concentration in the alcohol-rich regime. This work shed light on the understanding of cosolvency by studying the solution behavior of copolymer P(HEA- co -MA) in mixed solvents, which can be of interest for the design of stimuli-responsive polymer materials by variation in solvent composition.
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2023
·
IF 8.6
Feng Liu,Li Chen,Kangling Yin,Taotao Fan,Zongcheng Yan
The development of promising environmentally friendly extraction tools has been one of the hottest topics in green chemistry. Among these, natural deep eutectic solvents (NADESs) as green extraction media have received widespread recognition. In this paper, with the aim of exploring the potential applications of NADESs in the extraction field, water-soluble n -propanol was used to form liquid–liquid biphasic systems with choline chloride/ maltose NADESs. The phase behavior of those systems was designed by adjusting the molar proportion of the hydrogen bond acceptors (HBA): hydrogen bond donors (HBD) and temperature. This allows for the systems tailored to the specific requirements of the target molecule, as shown by their application in the extraction of rutin. Investigation of the distribution behavior of rutin suggested that the partition coefficient and the extraction efficiency of rutin in the bottom phase increase significantly with decreasing temperature and increasing HBA : HBD molar ratio. And with the temperature of 288.15 K, the highest TLL of NADES (ChCl: Mal = 1:2) + NPA + water system achieved higher E% of 94.27 %. The interaction force between NADES and rutin was studied using the Hansen solubility parameter, it turned out that Δ δ i , j of the 2:1 and 1:2 M ratio of NADES was only 8.91, 5.12, which meaning that there may be strong interactions between NADES and rutin. In addition, the hydrogen bond ( Δ δ H ) of the NADES (HBA: HBD = 1:2) was 25.47, which is greater than other interaction force, revealing that the hydrogen bond is the maximum force between rutin and the NADES (HBA: HBD = 1:2). The energy ( Δ G T ), enthalpy ( Δ H T ) and entropy ( Δ S T ) calculated from the partition data of rutin was consistent with the free energy ( Δ G C ) , enthalpy ( Δ H C ) and entropy ( Δ S C ) changes of system, which confirmed that the driving force of the phase separation of the system drives the transfer of rutin to the lower phase. In addition, we used eco-friendly water to regenerate NADES. The recovery efficiency of rutin was explored while NADES was reused in three cycles. This result showed there was no change observed in the extraction capability for rutin in those system. Finally, a larger aggregate of size 1315 nm was observed by dynamic light scattering, which furthermore demonstrated that the hydrogen bonding interaction between NADES (HBA: HBD = 1:2) and rutin is the main driving force tool for enhancing rutin partitioning. This method presents a newly system constructed by NADES and NPA for the green extraction, revealing the feasibility of the system for rutin extraction and facilitating industrial applications.
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EUROPEAN POLYMER JOURNAL
·
2022
·
IF 5.546
Jieke Ye,Chen Qian,Yubing Dong,Yaofeng Zhu,Yaqin Fu
In this work, organic solvent-induced shape memory poly(ethylene- co -vinyl acetate) (EVA) monoliths are developed based on a facile thermally induced phase separation (TIPS) method. The obtained EVA monoliths show three-dimensional (3D) interconnected porous structures with tunable porosities from 54.52 % to 73.01 %, average pore sizes from 4.8 to 17.5 μm, and satisfactory shape memory properties. Utilizing the hydrophobic nature of EVA, the porous monoliths effectively separate oil/water by selective oil absorption. Moreover, the EVA monoliths exhibiting oil-triggered shape recovery are designed to be expandable oil absorbers, which shows doubled volumetric absorption capacities of 1.96–2.48 g/cm 3 for pentane, hexane, and octane with a prefixed compression strain of 70 %. The uniform porous structures of monolithic materials and shape memory properties of semi-crystalline elastomers are well combined in this work, which will provide new possibilities for the design of smart porous materials or structures for novel oil absorbers, thermal insulators, and flow reactors.
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