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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Phase Equilibrium Measurement and Thermodynamic Modeling for Separation of a 2-Methyl-2-butanol + Water Azeotrope System by Liquid–Liquid Extraction with Five Solvents

Hongyue Guo,Yifang Wu,Qingsong Li

To separate the azeotropic system of 2-methyl-2-butanol and water, the liquid–liquid equilibria (LLE) data of water + 2-methyl-2-butanol + solvents (anisole, isoamyl alcohol, 1-octanol, ethyl acetate, methyl isobutyl ketone) were obtained at 308.2 K under 101.3 kPa, and all systems are Treybal’s type II. The distribution coefficient and selectivity coefficient were used to evaluate the effect of extraction and separation of water and 2-methyl-2-butanol. Meanwhile, quantum chemical methods were used to analyze intermolecular interactions. Finally, the Non-random Two Liquids and UNIQUAC thermodynamic models were used to correlate the LLE data to obtain binary interaction parameters with the RMSD being less than 0.19%. Meanwhile, the consistency of regression parameters of NRTL and UNIQUAC models was verified by the GUI-MATLAB tool.

研究领域: 化学工程 · 物理化学
✓ 已验证 DOI 高影响因子
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iScience · 2023 · IF 5.8

Social rank-dependent effects of testosterone on huddling strategies in mice

Ye Zhao,Xueyong Yin,Yang Yu,Shihao Huang,Hao Feng,Shuang Wang,Yiming Cai,Ruofan Zhao,Shuai Gao,Ye Liu,Zhengxin Zhang,Xinyu Zhao,Ruonan Qiao,Jialin Yuan,Weichen Guan,Huiping Yang,Yun Shi,Haishui Shi

Huddling behavior, a typical social interaction among animals, has the benefits of obtaining social support and adapting environment. Huddling behavior is determined by social (social hierarchy), environmental factors (stress events), and the neuroendocrine system. Nevertheless, the huddling behavior of different social hierarchies and the underlying mechanisms have not been fully elucidated. In the present study, acute 2-methyl-2-thiazoline (2 MT) can induce huddling behavior and significantly increase serum levels of testosterone (T) in mice; and the increased T level was positively correlated with huddling behavior. Further, the T treatment significantly increased the huddling behavior in mice under 2 MT exposure condition. More interestingly, T can quickly promote dominant individuals to occupy safe positions when huddling together under predator odor. Collectively, T can rapidly regulate the individual's adaptive response to threats in a social rank-dependent manner, which provides a new perspective for the in-depth study of the influencing factors and underlying mechanisms of huddling behavior.

研究领域: 神经生物学 · 内分泌学 · 行为学
✓ 已验证 DOI PubMed 高影响因子
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JOURNAL OF BIOMATERIALS SCIENCE-POLYMER EDITION · 2020 · IF 2.69

Design of comb-like poly(2-methyl-2-oxazoline) and its rapid co-deposition with dopamine for the study of antifouling properties

Ye Han Yan,Muhammad Atif,Ren Yong Liu,Hai Kun Zhu,Li Juan Chen

In this work, the comb-like poly(2-methyl-2-oxazoline) copolymer, poly(2-aminoethyl methacrylate-random-poly(2-methyl-2-oxazoline) (PMOXA-r-AEMA, PMA) is synthesized, and the CuSO4/H2O2-triggered dopamine/PMA co-deposition process is investigated. Ellipsometry, water contact angle (WCA), and X-ray photoelectron spectroscopy (XPS) are used to characterize the thickness, hydrophilicity, and surface composition of PMA-based coatings. PMA is facilely anchored to substrates within 60 min with the assistance of dopamine/polydopamine triggered by CuSO4/H2O2, and the coating thickness can achieve about 13 nm. Anti-protein adsorption and anti-blood platelet adhesion measurements are also studied to verify their antifouling properties. The adsorption capacity of FITC-BSA can be reduced to 5% of the original surface, and PMA-based coatings present excellent protein-resistant properties (∼95% reduction relative to gold surface) according to surface plasmon resonance (SPR) measurement, and it can resist adhesion of almost all blood platelets. Moreover, it is applied to a capillary inner wall for surface modification. An alkaline protein mixture and egg white proteins are successfully separated, and present excellent stability. The relative standard deviation (RSD) of migration time is lower than 0.71%. The practicability of this promising PMA-based coatings with this preparation strategy can be used for further proteomics analysis.

CAS / MDL: 2420-94-2
研究领域: 材料科学 · 生物医学工程 · 表面化学
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Journal of Materials Chemistry B · 2014 ·Vol. 2 ·期 44 ·7785-7794 · IF 0

Preparation and characterizations of poly(2-methyl-2-oxazoline) based antifouling coating by thermally induced immobilization

Longchao Bai,Lin Tan,Lijuan Chen,Songtao Liu,Yanmei Wang

Poly(2-methyl-2-oxazoline) (PMOXA) has been proved to be a kind of potential antifouling coating material. In this work, a series of comb copolymers, poly[(2-methyl-2-oxazoline)-random-glycidyl methacrylate] (PMOXA-r-GMA), with a variety of compositions were synthesized by free radical polymerization of the oligo(2-methyl-2-oxazoline) methacrylate macromonomer and glycidyl methacrylate, and then characterized and used to coat silicon/glass surfaces. A one-step coating procedure by a simple annealing protocol was used to yield covalent and cross-linked PMOXA-based antifouling coatings. The coatings were rigorously characterized in terms of the surface chemical composition, hydrophilicity, thickness and morphology using X-ray photoelectron spectroscopy (XPS), the water contact angle (WCA) test, ellipsometry and atomic force microscopy. The results demonstrated that the PMOXA-r-GMA brushes could successfully be bonded onto silicon/glass surfaces. Finally, the fouling resistance ability of the modified surface was evaluated by analyzing the adsorption of bovine serum albumin protein, bacterial cell attachment and platelet adhesion, which indicated that the modified silicon/glass surfaces had a superior resistance to protein, bacterial cell and platelet adsorption, and the performance of fouling resistance was enhanced with the content of PMOXA segments in the copolymers.

研究领域: 材料科学 · 生物医学工程 · 表面化学
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MACROMOLECULAR MATERIALS AND ENGINEERING · 2019 ·Vol. 304 ·期 4 ·1800685 · IF 3.038

A New Strategy to Prepare Poly(2-methyl-2-oxazoline)-Based Antifouling Coatings: Using UV-Crosslinked Copolymer Anchors

Haikun Zhu,Lijuan Chen,Chong Zhang,Muhammad Atif,Kai Gong,Chaoshi Chen,Yanmei Wang

A series of the copolymer, poly(styrene-random-glycidyl methacrylate) (P(St-r-GMA)), is synthesized by free radical polymerization, and characterized by 1 H NMR spectroscopy and gel permeation chromatography. The various substrates are then modified by P(St-r-GMA) under ultraviolet (UV) irradiation. Subsequently, the poly(2-methyl-2-oxazoline) (PMOXA) based coatings are prepared by anchoring amino-terminated PMOXA onto the P(St-r-GMA) modified surfaces through the reaction between the amino group of PMOXA and epoxy group of P(St-r-GMA). The results of ellipsometry, X-ray photoelectron spectroscopy, atomic force microscopy, and water contact angle reveal that PMOXA-based coatings can be prepared successfully on the substrates through UV-crosslinked P(St-r-GMA) as anchoring coatings. Besides, the PMOXA-based coatings display not only a superior antifouling property but long-term stability as well. Furthermore, the location of the coating formed on the substrate can be well controlled through selecting the site of UV irradiation, which can be utilized for the selectivity of protein adsorption (or resistance) on special devices.

CAS / MDL: 106-91-2
研究领域: 材料科学 · 生物医学工程 · 高分子化学
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CHINESE JOURNAL OF CHEMICAL PHYSICS · 2019 ·Vol. 32 ·期 3 ·306-312 · IF 0.791

Photoionization and dissociation study of 2-methyl-2-propen-1-ol: Experimental and theoretical insights

Yu Ye-peng,Li Zhao-hui,Lin Xuan,Chen Jun,Zhang Hang,Li Yan-bo,Wang Huang-huang,Sun Rui-rui,Meng Qing-hui,Shan Xiao-bin,Liu Fu-yi,Sheng Liu-si

The photoionization and dissociation of 2-methyl-2-propen-1-ol (MPO) have been investigated by using molecular beam experimental apparatus with tunable vacuum ultraviolet synchrotron radiation in the photon energy region of 8.0–15.5 eV. The photoionization efficiency (PIE) curves for molecule ion and fragment ions: C 4 H 8 O + , C 4 H 7 O + , C 3 H 5 O + , C 4 H 7 + , C 4 H 6 + , C 4 H 5 + , C 2 H 4 O + , C 2 H 3 O + , C 3 H 6 + , C 3 H 5 + , C 3 H 3 + , CH 3 O + , CHO + have been measured, and the ionization energy (IE) and the appearance energies (AEs) of the fragment ions have been obtained. The stable species and the first order saddle points have been calculated on the CCSD(T)/cc-pvTZ//B3LYP/6-31+G(d,p) level. With com-bination of theoretical and experimental results, the dissociative photoionization pathways of 2-methyl-2-propen-1-ol are proposed. Hydrogen migrations within the molecule are the dominant processes in most of the fragmentation pathways of MPO.

CAS / MDL: 513-42-8
研究领域: 化学物理学 · 分子光谱学
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EUROPEAN POLYMER JOURNAL · 2019 · IF 3.621

Poly(2-methyl-2-oxazoline) and poly(4-vinyl pyridine) based mixed brushes with switchable ability toward protein adsorption

Muhammad Atif,Chaoshi Chen,Muhammad Irfan,Fatima Mumtaz,Kang He,Miao Zhang,Lijuan Chen,Yanmei Wang

In this work, poly[(2-methyl-2-oxazoline)-random-glycidyl methacrylate] (PMOXA-r-GMA) and poly(4-vinyl pyridine)-block-poly(glycidyl methacrylate) (P4VP-b-PGMA) were synthesized by cationic ring opening polymerization (CROP) of 2-methyl-2-oxazoline (MOXA) and reversible addition-fragmentation chain transfer (RAFT) polymerization of 4-vinyl pyridine (4VP) followed by their random and block copolymerization with glycidyl methacrylate (GMA), respectively. Then poly(2-methyl-2-oxazoline)/poly(4-vinyl pyridine) (PMOXA/P4VP) based binary polymer brushes on silicon/glass substrate were fabricated using spin coating of the mixture of PMOXA-r-GMA and P4VP-b-PGMA copolymer solution followed by annealing process at 110 °C. Afterwards, these polymer brushes were characterized via water contact angle (WCA), X-ray photoelectron spectroscopy (XPS), variable angle spectroscopic ellipsometry (VASE), and atomic force microscopy (AFM) techniques. The results showed that the surface composition on the substrate surface could be adjusted by tuning the composition of the mixture of polymer solution used for the preparation of mixed brushes. Moreover, it also showed the swelling and de-swelling of mixed polymer brushes in a systematic way between two specific points during varying the pH of the surrounding medium from 2 to 10. Finally, the tunable behavior of PMOXA/P4VP based mixed brushes against bovine serum albumin (BSA) adsorption/desorption was investigated by fluorescein isothiocyanate-labelled BSA (FITC-BSA) assay and ellipsometry measurements. The results indicated that by changing the pH value from 2 to 10, the PMOXA/P4VP based mixed brushes could adsorb and desorb protein from very low to high amount depending upon the composition of PMOXA-r-GMA and P4VP-b-PGMA in preparing solution used for the PMOXA/P4VP based coatings, and ~89% of the adsorbed protein could be desorbed under the selected conditions.

CAS / MDL: 106-91-2
研究领域: 材料科学 · 生物医学工程 · 高分子化学
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Processes · 2025 ·Vol. 13 ·期 5 ·1435 · IF 2.8

Development of a Computer-Aided Process for Recovering and Purifying 2-Methyl-2-Cyclopentenone Based on Measured Phase Equilibrium Data

Zhongfeng Geng,Yunfei Bai,Ke Zhang,Feng Shi

2-Methyl-2-cyclopentenone (MCP) is the main by-product of the newly developed heterogeneous catalysis process for producing crotonaldehyde, which serves as an important intermediate for drug synthesis. However, how to recover and purify MCP from the product mixture is not known. To decipher this, a computer-aided process based on the measured phase-equilibrium data was developed. The improved Rose–Williams equilibrium kettle was used to measure the vapor–liquid equilibrium data for MCP–crotonaldehyde and MCP–water. Surprisingly, MCP and water formed a minimum azeotrope, which aided its own recovery from its dilute solution. The mole fraction of MCP in the azeotrope was 9.1%, the mole fraction of water was 90.9%, and the azeotropic temperature was 96.8 °C. Equilibrium data from the two binary systems were correlated using the Wilson and NRTL activity coefficient models. The NRTL-RK model was selected to simulate the process for recovering and purifying MCP. A two-column process was developed and optimized in this study, and the aim of effectively utilizing the by-product MCP was achieved with this process.

研究领域: 化学工程 · 药物合成
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Liquid–Liquid Equilibrium for 2-Methyl-2-butanol + Water + o-Xylene at Different Temperatures

Xuemei Zhang,Xiaojie Yang,Jie Jian,Chungui Jian,Jie He,Hongwei Wang,Wangxin Kong,Guangjin Shangguan,Meifang Xia

Liquid–liquid equilibrium (LLE) data of the ternary system 2-methyl-2-butanol + water + o-xylene were determined at 303.2, 313.2, and 323.2 K under 101.3 kPa. The extraction capacity of o-xylene is expressed by selectivity, which is more than 118 and decreases with the increase of temperature. The quality of the experimental LLE data is verified by calculation of the overall mass balance and alignment between the conjugated phases and overall compositions. The experimental LLE data were regressed by the NRTL and UNIQUAC models, and the binary interaction parameters were obtained. And the root-mean-square deviations (RMSDs) are less than 1.02%.

CAS / MDL: 64-17-5
研究领域: 化学工程 · 物理化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Experimental and correlated liquid-liquid equilibrium data for water + 1,6-hexanediol + 1-pentanol/3-methyl-1-butanol/2-methyl-2-butanol at different temperatures

Xingchuan Yang,Huanxin Li,Chunmei Cao,Li Xu,Guoji Liu

Liquid-liquid equilibria (LLE) data for ternary systems of water + 1,6-hexanediol + 1-pentanol/ 3-methyl-1-butanol/ 2-methyl-2-butanol were measured at (293.15, 303.15, 313.15 and 323.15) K under 101.3 kPa. Cloud-point method was applied to determine the solubility curves data. Distribution coefficient and separation factors for 1,6-hexanediol were calculated from the measured tie-line data to evaluate the extraction effect of alcohols on 1,6-hexanediol. The reliability of experimental LLE data were tested by Othmer–Tobias equation and Hand equation, NRTL and UNIQUAC models were applied to correlate the measured data and the calculated results show that both models can fit the experimental data very well.

研究领域: 化学工程 · 热力学
✓ 已验证 DOI 高影响因子
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JOURNAL OF APPLIED POLYMER SCIENCE · 2024 ·Vol. 141 ·期 24 ·e55510 · IF 2.7

Highly transparent and flame-retardant polyvinyl alcohol membranes crosslinked with 2-methyl-2,5-dioxo-1,2-oxaphospholane

Jinlu Wang,Xiao Ruan,Kaixin Shen,Yijia Wang,Yan Zhang,Jiyan Liu,Xueqing Liu

In the present paper, crosslinked polyvinyl alcohol (PVA) membranes with high transparency and excellent flame retardancy were obtained by blending 2-methyl-2,5-dioxo-1,2-oxaphospholane (OP) with a PVA water solution at the molecular scale. Fourier transform infrared spectrometry and differential scanning calorimetry were used to investigate the crosslinking reaction. The surface morphology and micromechanical assessments of the membrane were examined using nanoindentation. The limited oxygen index (LOI) and vertical flame microscale combustion calorimetry, thermogravimetric analysis, scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and x-ray photoelectron spectroscopy (XPS) were employed to evaluate the flame retardancy and reveal the corresponding mechanisms. It was found that OP reacted with PVA below 120°C. The crosslinked membranes have a rougher surface and higher hydrophilicity and lower hardness and modulus than pure PVA does. The crosslinked membranes exhibit enhanced flame retardancy and high transparency. The membrane passes the UL 94 V 0 rating with an LOI of 27.6% and achieves a transmittance of 90.2% when the OP content is 20 wt.%. The SEM, EDS, and XPS results demonstrate that the interaction between OP and PVA effectively promotes the formation of a continuous and stable char in the condensed phase.

CAS / MDL: 9002-89-5
研究领域: 材料科学 · 化学工程
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Journal of Materials Chemistry B · 2015 ·Vol. 3 ·期 27 ·5615-5628 · IF 4.726

Star-shaped poly(2-methyl-2-oxazoline)-based films: rapid preparation and effects of polymer architecture on antifouling properties

Chong Zhang,Songtao Liu,Lin Tan,Haikun Zhu,Yanmei Wang

Development of surfaces with antifouling properties is of great interest in biomedical applications. In this paper, the research was aimed at rapid preparation of poly(2-methyl-2-oxazoline)-based antifouling coating. We designed and synthesized a set of well-defined multiarm star copolymers hyperbranched poly(ethylenimine)-graft-poly(2-methyl-2-oxazoline) (PEI-g-PMOXA) with different PMOXA grafting ratios and chain lengths. The cytotoxicity of the polymer was tested and the PMOXA-based films were successfully deposited rapidly onto substrates via a simple one-step dopamine-assisted codeposition method. The effect of polymer architecture (linear PMOXA with different molecular weights, star PMOXA with different PMOXA grafting ratios and arm lengths) on deposited films with respect to their deposition kinetics, surface composition, wettability, morphology, cytotoxicity, and antifouling properties was investigated systematically. The antifouling properties of PMOXA-based films were found to be dependent on the surface PMOXA chain densities, which were controlled by the PMOXA grafting ratios and chain lengths. Moreover, the star PMOXA structures gave the surfaces with higher PMOXA chain densities and enhanced antifouling properties compared to the linear ones. Among the star copolymers, PEI-g(70)-PMOXA(5K)/polydopamine and PEI-g(70)-PMOXA(7K)/polydopamine deposited films showed the highest resistance to protein adsorption (96–99% relative to the bare gold surface) and cell attachment (97–99% relative to the bare glass surface), as well as complete inhibition against platelet adhesion. At last, the stability test results showed that the PMOXA-based film exhibited superior stability in long-term applications than the poly(ethylene glycol)-based film.

CAS / MDL: 822-06-0
研究领域: 生物医学工程 · 材料科学
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