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Journal of Physical Chemistry C · 2018 · IF 4.484

Synergistic Adsorption of Polyaromatic Compounds on Silica Surfaces Studied by Molecular Dynamics Simulation

Yong Xiong,Zhen Li,Tiantian Cao,Shengming Xu,Shiling Yuan,Johan Sjöblom,Zhenghe Xu

Adsorption on silica surfaces of polyaromatic compounds, N-(1-hexylhepyl)-N′-(5-carboxylicpentyl)-perylene-3,4,9,10-tetracarboxylic bisimide (C5Pe) and N-(1-undecyldodecyl)-N′-(5-carboxylicpentyl)-perylene-3,4,9,10-tetracarboxylic bisimide (C5PeC11), individually and their binary mixture in heptol (mixture of heptane and toluene as oil) solutions were studied by molecular dynamics (MD) simulation, quartz crystal microbalance with dissipation (QCM-D), and atomic force microscopy (AFM). The MD simulation results showed that C5Pe molecules tend to aggregate and form a large cluster rapidly in the oil phase, reducing the energy of the system. In contrast, C5PeC11 molecules with higher solubility tend to disperse in the system. As a result, C5PeC11 molecules exhibited a stronger adsorption than C5Pe molecules on silica surfaces. In the binary mixture system, the overall solubility is only slightly lower than that in the C5PeC11 system due to the association of C5Pe with C5PeC11 molecules through π–π stacking and T-stacking interactions, leading to more polyaromatic compounds available for adsorption onto silica surfaces. The enhanced adsorption of both polyaromatic compounds on silica surfaces clearly illustrates the synergy of adsorption in the mixed systems of C5Pe and C5PeC11 as compared with the systems of their individual species. The adsorption characteristics revealed in MD simulations were confirmed by QCM-D measurement and AFM imaging. The observed synergy of adsorption provides insights into molecular assembly at silica–oil interfaces for the fabrication of devices or sheds lights on petroleum processing.

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ACS Sustainable Chemistry & Engineering · 2018 · IF 6.14

Biodegradable PLA Nonwoven Fabric with Controllable Wettability for Efficient Water Purification and Photocatalysis Degradation

Jiangwei Shi,Lei Zhang,Peng Xiao,Youju Huang,Peng Chen,Xuefen Wang,Jincui Gu,Jiawei Zhang,Tao Chen

Although many bioinspired superwetting materials with excellent capability for oil/water separation have been constructed, functional surfaces combining effective separation property, biodegradability, and easy-controllability are still highly desired. In this work, a facile strategy to realize the controllable wettability on the polylactic acid (PLA) nonwoven fabric has been developed; the resulting superwetting PLA nonwoven fabrics exhibit high absorption capacity and high selectivity in oil/water separation. Moreover, the superhydrophilic PLA nonwoven fabric possesses excellent simultaneous photocatalysis degradation of water-miscible toxic organic pollutants. With the versatility and biodegradability, these advanced PLA nonwoven fabrics may provide effective solutions to oily water treatment.

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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2018 · IF 5.091

Surfactant-free synthesis of silica aerogel microspheres with hierarchically porous structure

Yulu Zhang,Jin Wang,Xuetong Zhang

In this work, we developed a new method to synthesize silica aerogel microspheres via ambient pressure drying (APD) process without applying any surfactants and mechanical stirring. An ethanol solution of partially hydrolyzed, partially condensed silica (CS) was used as precursor in the synthesis, the water-repellent n -Heptane as solvent, while the water-soluble ammonia gas (NH 3 ) as catalyst. After a fast sol-gel process and APD process, aerogel microspheres were obtained in the form of white powder with packing density ranged from 62 mg/cm 3 to 230 mg/cm 3 for different samples. The SEM images exhibited fine spherical morphology for these aerogel microparticles, and their statistical average particle diameter ranged from 0.8 μm to 1.5 μm. Besides, according to the analysis of N 2 adsorption-desorption isotherms, the BET surface area of these aerogel microspheres was in the range of 800–960 m 2 /g, and a considerable volume of micropores was detected along with the abundant mesospores in these microspheres, which was further confirmed by the TEM image and SAXS curve. Based on the very limited solubility of NH 3 in the reaction system, a non-emulsion formation mechanism was proposed to illustrate the formation of these aerogel microspheres.

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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2024 · IF 4.9

Dynamic covalent Fe3O4 nanoparticles for dual-responsive Pickering emulsions triggered by pH and magnetism

Junjie Fan,Jianpeng Cui,Tianhao Zhang,Jianwen Hu,Ziqi Wu,Mingshuo Chi,Wenqing Xie,Shuangqing Sun,Songqing Hu

In this study, we successfully synthesized silica coated Fe 3 O 4 nanoparticles (Fe 3 O 4 @SiO 2 NPs) and further animated their surface to create amino modified Fe 3 O 4 @SiO 2 (Fe 3 O 4 @SiO 2 -NH 2 ) NPs. By taking advantage of the pH-responsive dynamic (covalent) imine bond between the hydrophilic Fe 3 O 4 @SiO 2 -NH 2 NPs and the hydrophobic cinnamaldehyde molecule (R), we developed dynamic covalent Fe 3 O 4 @SiO 2 (Fe 3 O 4 @SiO 2 -R) NPs with switching wettability . These NPs were then utilized to form Pickering emulsions , and whose stability and pH/magnetic response were thoroughly investigated. As the NPs concentration in the emulsion increased, the emulsion stability initially improved but then subsequently slightly decreased. Emulsifiers exhibited emulsifying effect on various oil phases, with paraffin oil demonstrating the best effect. By adding Hydrochloric acid to the emulsion, we successfully broke the imine bond at a pH value of 2.8, resulting in demulsification. Applying a magnetic field also achieved demulsification. After five cycles of pH or magnetic response-induced emulsification and demulsification, a stable Pickering emulsion could still be obtained. Stimuli-responsive Pickering emulsions have been extensively studied, but there is limited research on double-responsive Pickering emulsions. This study presents a novel design of Pickering emulsions with pH/magnetic dual responsiveness, offering great potential for oil-water separation applications.

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ACS Sustainable Chemistry & Engineering · 2024 · IF 7.1

Cellulose Nanocrystal-Immobilized Lipase for Pickering Interface Biocatalysis

Lili Li,Xiaojing Wang,Yali Hu,Wang Sun,Yugao Ding,Nisha He,Guofu Zhou,Zhen Zhang

Enzymes are promising biocatalysts due to their high efficiency, mild conditions, high specificity, nontoxicity, and environmental friendliness. However, the enzyme suffers from poor stability and reusability. Enzyme immobilization is a commonly used technology to enhance its stability and reusability. In this study, the cellulose nanocrystal (CNC) was chosen as the enzyme immobilization carrier due to its sustainability, high specific surface area, biocompatibility, water dispersibility, and excellent Pickering emulsifying ability. Lipase was immobilized on a polydopamine-coated CNC (PC), and the obtained lipase-immobilized PC (LPC) displayed significantly enhanced stability and higher activity in harsh conditions compared to free lipase. LPC possessed partial wettability with both water and oil phases and a lower absolute value of the zeta potential than CNC, endowing it with a better Pickering emulsifying ability than CNC. LPC was fixed at the oil–water interface of the Pickering emulsion by ultrasonication, and the resulting Pickering emulsion droplets were employed as microreactors for ester hydrolysis and synthesis via Pickering interface biocatalysis. LPC displayed significantly enhanced catalysis activity at the oil–water interface of the Pickering emulsion compared to free lipase in a traditional oil–water biphasic system due to the increased contact area between the enzyme and the substrate, reduced diffusion distance of the substrate, and lipase interface activation effect. Moreover, LPC could be facilely recycled by centrifugation, and the recycled LPC still retains high catalysis activity. This study proposed a facile and sustainable method of enzyme immobilization to enhance its stability and reusability and achieved a significantly increased activity via Pickering interface biocatalysis.

CAS / MDL: 142-82-5
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JOURNAL OF SUPERCRITICAL FLUIDS · 2024 · IF 3.4

Clean production and dyeing of fluorescent yellow dyes based on naphthalic anhydride in supercritical carbon dioxide

Yutao Feng,Junyang Zhu,Hailong Cui,Ziyi Lu,Jinglong Li,Ying Wang,Chengqi Jiao,Xiaoqing Xiong

Supercritical carbon dioxide (scCO 2 ) was selected as the medium for the synthesis and dyeing of four naphthalimide dyes (Y-1, Y-2, Y-3, and Y-4). They were synthesized through the reaction of 4-bromo-1,8-naphthalene dianhydride with various amines. These dyes demonstrated good photophysical properties and thermal stability, aligning with the prerequisites for scCO 2 dyeing. Consequently, the scCO 2 dyeing of polyester fabrics using these four dyes was investigated, and the optimal dyeing conditions were established in the range of 18 20 MPa, 120 130℃, and 80 90 min. Surface analysis confirmed the uniform distribution of the dyes on the fabrics, with no significant damage to the fabric structure under the dyeing conditions. Additionally, the dyed fabrics exhibited good color fastness to soap washing and friction with level 4 or above. Overall, the clean preparation and dyeing of naphthalimide dyes hold promise for reducing environmental pollution.

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JOURNAL OF THE ENERGY INSTITUTE · 2024 · IF 5.6

Combined experimental and kinetic modeling study on the low-temperature oxidation of OME3/n-heptane blends

Hu Wang,Zhifeng Yao,Yong Chen,Bing Li,Xin Zhong,Mengnan Zhang,Longbin Xia,Zunqing Zheng,Mingfa Yao

Experimental and kinetic studies on the blending of ethers or diesters with larger alkanes at low temperatures are enormously scarce. In this paper, the low-temperature oxidation (LTO) kinetics model of polyoxymethylene dimethyl ether 3 (OME 3 )/ n -heptane (500 K–950 K) was established by using the jet-stirred reactor (JSR) to conduct the LTO experiments of OME 3 / n -heptane with different blending ratios. GC/MS was used to detect and quantify 17 kinds of stable products in the LTO process of OME 3 / n -heptane. The detailed OME 3 / n -heptane kinetic model was fully verified experimentally. The interaction mechanism of OME 3 / n -heptane was discussed based on the experiments and corresponding chemical kinetic analysis . Results show that the oxidative decomposition processes of OME 3 and n -heptane were significantly different, the LTO and NTC process of OME 3 were significantly weaker than those of n -heptane, but the high-temperature reactivity of OME 3 was much stronger. In addition, n -heptane significantly promoted the intermediate species CH 3 OCHO and COCOC*O of OME 3 , mainly because n -heptane significantly prolonged the LTO of OME 3 in the fuel blends. And the NTC process of the fuel blends was mainly dominated by OME 3 , while the LTO process was more influenced by n -heptane, which resulted in the weakened NTC of n -heptane and the significantly enhanced LTO process of OME 3 .

CAS / MDL: 142-82-5
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SCIENCE OF THE TOTAL ENVIRONMENT · 2024 · IF 8.2

Characterization and mechanism of phthalic acid esters bioaccumulation in dominant mangrove fish at different habitats in the mangrove ecosystem of Dongzhai Harbor, China

Siwen Chen,Cheng Liu,Yuyan Liu,Jianan Liu,Zefeng Wang,Haofeng Liu,Ye Li,Min Liu

With the wide application of phthalic acid esters (PAEs) in the manufacturing of plastic products, a large number of PAEs were discharged into marine ecosystem and accumulated in fish, which has posed a serious threat to marine ecological environment and fishery resources. However, the bioaccumulation of PAEs in fish in mangrove ecosystem, the most productive marine ecosystem, has not been well characterized. In this study, dominant fish and their potential food sources (including particulate organic matter (POM), sedimentary organic matter (SOM), Metapenaeus ensis (Shrimp) and Oreochromis (Ore) were collected from Dongzhai Harbor, a typical mangrove ecosystem. The concentrations of nine PAEs in fish and their potential food sources were determined. Then stable nitrogen and carbon isotope analysis, combined with a new Bayesian mixing model (MixSIMMR) was used to quantify the diet compositions of fish and elucidate the effect of dietary habit on PAEs bioaccumulation in fish. The results indicated that the median concentration of ∑ 9 PAEs in fish was 1119 μg/kg ww, positioning it at a moderate to low level in comparison to other regions. di-n-butyl phthalate (DBP) and diisononyl ortho-phthalate (DINP) were the dominant PAEs in fish. The PAEs concentration in demersal fish was significantly higher than that of pelagic fish, which may be attributed to the substantial contributions of shrimp (28.5 %) and POM (25.3 %) to the diet of demersal fish. This study provided new insights on the bioaccumulation of PAEs in dominant mangrove fish and confirmed that habitat preferences and food sources could significantly influence the bioaccumulation of PAEs in fish.

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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Construction and application of antimicrobial ultrafiltration membranes based on electro-stimulated hollow mesoporous carbon spheres and carbon nanotubes

Ru-Yu Chang,Wen-Hao Geng,Li-Chao Jing,Jing-Yi Feng,Yue-Xin Wang,Peng-Fei Qian,Ze-Long Bao,Wenyi Wang,Di Zhang,Hong-Zhang Geng

The issue of fouling in the membrane separation processes still remains a huge challenge, due to a series of water pollutions, particularly in biological contamination. In this study, the hollow mesoporous carbon spheres (HMCS) were obtained by the template method, to serve as a slow-release carrier loaded with the broad-spectrum fungicide povidone-iodine (PVP-I). The unique structural properties of the HMCS addressed the issues related to the instability of iodine formulations, rapid iodine loss, and susceptibility to pollutant coverage. Subsequently, a separation membrane was developed by mixing aminated carbon nanotubes (CNT-NH 2 ) and HMCS loaded with PVP-I on the polyether sulfone (PES) substrate. The surface resistance of the composite membrane was reduced from 4.46 MΩ/sq to 12.36 kΩ/sq. The resulting composite conductive membrane exhibited a pure water flux exceeding 300 L·m −2 ·h −1 ·bar −1 and a dye removal efficiency of over 98 %. Additionally, the composite membrane presented antimicrobial properties, with the release of the effective iodine from PVP-I triggered by the conductive network under the applied electric field (ca. 1.99 times more than the self-release). The integration of the antimicrobial slow-release materials facilitated by the electric field presents a promising strategy for mitigating membrane fouling and reducing antimicrobial loss in membrane technology.

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ACS Omega · 2024 · IF 3.7

Empirical Relationship among the Parameters in HLD Equation of Block Polyether Water Clarifier

Xiujun Wang,Jian Zhang,Qian Xu,Ming Duan,Chunsheng Zhang,Shenwen Fang

In this work, the empirical relationship among three apparent parameters in the hydrophilic–lipophilic deviation (HLD) equation was studied to provide help in using the HLD equation to design a block polyether water clarifier for treating produced water in an oilfield. Ten block polyethers (including six linear polyethers and four branched polyethers) were prepared, and their HLD equations were measured. By curve fitting, the empirical relationship among apparent hydrophobicity characteristic (K), apparent characteristic curvature (Ccn), and apparent temperature coefficient (ct) of block polyether were obtained: K = 9.32ct, Ccn = 18e–24.5K (for linear polyether), and Ccn = 3.7e–20.8K (for branched polyether). By introducing these relationships into the HLD equation and combining an empirical relationship between propylene oxide/ethylene oxide (mole ratio) in a block polyether and K/Ccn, a new block polyether was designed to treat the produced water. The treatment result confirmed the reliability of these empirical relationships. The results expand the practical application of HLD theory and are useful for the development of a block polyether water clarifier.

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Food Bioscience · 2024 · IF 4.8

Biocontrol of Fusarium oxysporum-infested Gastrodia elata Bl. by Lactobacillus curvatus 2768-VOCs and mechanism of inhibition

Zhiqiang Yi,Yusen Yue,Jianquan Kan,Zhirong Wang,Sameh Awad,Amel Ahmed Ibrahim,Muying Du

Gastrodia elata Bl. Is susceptible to infestation by the fungus Fusarium oxysporum , which can cause severe post-harvest diseases. This paper presents the findings of an investigation into the control and bacteriostatic mechanisms of Lactobacillus curvatus 2768-VOCs on F. oxysporum -infected G. elata . The results of both in vitro and in vivo tests demonstrated that L. curvatus 2768-VOCs exhibited inhibitory effects against F. oxysporum , with inhibition rates of 63.37% and 44.4%, respectively. The results of the in vivo test also demonstrated that the pre-fumigation approach exhibited superior efficacy compared to direct fumigation, with the former showing a preventive effect. Furthermore, it was discovered that VOCs disrupted the integrity of F. oxysporum cell membranes and altered their permeability, resulting in the leakage of cell contents. The fumigation caused damage to the mycelial structure, accompanied by a notable decline in the total lipid and ergosterol content, and an appreciable increase in MDA content. Moreover, the fumigation of VOCs markedly diminished the activities of ATPase and mitochondrial dehydrogenase, thereby disrupting the respiration of F. oxysporum and its energy metabolism. The VOCs were subjected to GC-MS analysis, which revealed that the relative content of acids was the highest, particularly formic acid and glyoxalic acid. The study offers a theoretical basis for the biological control of postharvest diseases in G. elata .

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JOURNAL OF MEMBRANE SCIENCE · 2024 · IF 8.4

Biomimetic Gas Channel Constructed for Efficient CO2 Removal Based on Computational Simulations

Ting He,Shuang Yao,Dejian Chen,Zhaoyun Sun,Xiaoyun Wang,Keyi Wang,Jiangwei Chen,Qingguo Li,Rizhi Chen,Yawei Wang,Zhaoliang Cui

Membrane oxygenator performs lung function in the Extra-corporeal Membrane Oxygenation (ECMO) system. In the clinical use, to ensure the balance of gas exchange of patient’s body, the gas-blood exchange membrane is required to possess CO 2 /O 2 selectivity, which is suggested to be in the range of 10-12. In our work, the molecular dynamics simulation results displayed that the amino-functionalized Zr-MOFs provides fast transport channels for CO 2 molecules because of the enhancement of the adsorption and diffusion ability for CO 2 . Therefore, we chose organic ligands with abundant CO 2 -philic groups to synthesize target amino-functionalized Zr-MOFs, and then dispersed them into medical-grade PDMS solution to study the separation performance of CO 2 /O 2 . On the basis of constructing anti-leakage coating layer, biomimetic gas channels were designed to increase the clearance rate of CO 2 . Experimental results exhibited that the CO 2 /O 2 selectivity of (NH 2 ) 2 -UiO-66/PDMS MMM was as high as 11.19, which was basically consistent with the simulation results. The obtained amino-functionalized Zr-MOF/PDMS coating layer displayed favorable biocompatibility and biosafety. Meanwhile, the construction of biomimetic channel solves the difficult problem of CO 2 removal in PMP membrane, which verifies the feasibility of applying porous materials to gas-blood exchange membranes in the ECMO system.

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