JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Bin Ou,Xiaofang Li,Lemei Huang,Yujiang Ke,Chaohui Che,Xiaobing Liu,Yajun Li,Kui Wu
The solubility of 2-chlorocinnamic acid in 16 pure organic solvents, including alcohols, esters, ketones, toluene, and acetonitrile, was determined by the gravimetric method at 272.15–321.55 K under 101.3 kPa. Results showed that solubility of 2-chlorocinnamic acid increased with temperature in all solvents. To correlate the experimental data, five thermodynamic models, i.e., the modified Apelblat, Buchowski–Ksiazaczak λh, NRTL, Wilson, and Yaws equations, were employed. Model accuracy was evaluated using average relative deviation (ARD) and root-mean-square deviation (RMSD), and all models provided satisfactory correlations. In addition, electrostatic potential energy surface analysis was carried out to preliminarily assess possible solute–solvent interactions, while density functional theory (DFT) calculations were used to further examine molecular interactions during dissolution. The Kamlet–Abboud–Taft linear solvation energy relationship (KAT-LSER) model was applied to analyze solvent effects. Thermodynamic functions, including enthalpy, entropy, and Gibbs free energy of mixing, were calculated using the Wilson model. The results revealed that the dissolution of 2-chlorocinnamic acid in the studied solvents is an endothermic, entropy-driven, and spontaneous process, indicating favorable solute–solvent interactions and enhanced solubility at higher temperatures.
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WATER RESEARCH
·
2025
·
IF 12.4
Boqiang Li,Longjie Cheng,Lei Wang,Baiyang Chen
Alcohols are widely used as quenchers in UV/chlorine process currently to evaluate the roles of radicals, principally relying on the premise that they selectively react with target radicals (e.g., HO ● and Cl ● ) without affecting other reactions. However, this study revealed several unrecognized alcohol-dependent phenomena in this system that clearly challenge this principle. Specifically, tert-butanol inhibited chlorine decay ( k obs = 0.14 min –1 ), whereas methanol, ethanol, and iso-butanol accelerated it by 1.2-2.3 folds ( k obs = 0.23-0.45 min –1 ). Mechanistic analysis indicated that alcohols quenched HO ● and Cl ● while simultaneously generating secondary species that altered chlorine consumption. In the case of tert-butanol, radical quenching dominated and suppressed indirect chlorine decay, so that tert-butanol actually inhibited the conversion of chlorine. In contrast, other monohydric alcohols formed HO-R ● that reacted with O 2 to O 2 ●− , a stronger driver of chlorine loss. A quantitative structure-activity relationship model (R 2 = 0.949) identified molecular polarizability (α = 13.8-42.9) and the lowest unoccupied molecular orbital energy ( E LUMO = 2.41-2.60 eV) of alcohols as predictive descriptors of chlorine decay. For representative micropollutants, using methanol as quencher inflated the apparent roles of primary radicals (up to 83.6%) but underestimated secondary species such as ClO ● , whereas tert-butanol provided more reliable qualitative indication. To assess radicals reliably, we propose a two-step strategy that avoids misattribution: (1) using tert-butanol for qualitative indication of radical involvement; (2) applying multi-probe competition kinetics and modeling radicals adduct speciation for radical quantification. This work established quantitative bounds on alcohol-induced perturbations and offers a protocol for reliable radical quantification in advanced oxidation research.
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BIORESOURCE TECHNOLOGY
·
2025
·
IF 9
Shengchao Xu,Wanting Ma,Junxiong Zhao,Huiyu Wang,Qifeng Wei,Shanshan Wang,Xiulian Ren
Lactic acid (LA) is a crucial platform chemical for biodegradable plastics, primarily produced via microbial fermentation. However, the conventional purification process via calcium salt precipitation generates substantial calcium sulfate waste. This study proposes a novel solvent extraction method using di-(2-ethylhexyl) phosphoric acid (P204) to extract calcium ions from calcium lactate, thereby releasing LA into the aqueous phase. Under multistage counter-current conditions, calcium extraction and stripping efficiencies exceeded 99.7 % and 98.5 %, respectively, yielding a high-purity CaCl 2 ·2H 2 O by-product instead of calcium sulfate. The process demonstrated broad applicability to calcium salts of weak organic acids (p K a > ∼3.40). Mechanistic studies revealed a 2:1:1 (P204:Ca:LA) coordination complex. Green chemistry assessment confirmed the process’s environmental sustainability and practical viability. This work presents an efficient strategy for LA production that avoids calcium sulfate waste, contributing to greener biorefinery processes.
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Energy Sources Part A-Recovery Utilization and Environmental Effects
·
2025
·
IF 2.2
Yuanxin Zhao
The efficient separation of bio-based solvents, such as acetone, butanol, and ethanol (ABE), is a critical challenge in biofuel production. Traditional separation methods, such as distillation, are energy-intensive, prompting the need for more sustainable alternatives. The salting-out process offers a promising approach by exploiting phase separation induced by inorganic salts, yet research on its equilibrium time remains limited. This study systematically investigates the salting-out performance and separation kinetics of ABE using K3PO4 under varying salt concentrations (200–400 g/kg) and temperatures (25–50°C). Results show that increasing salt concentration from 200 to 400 g/kg reduced the salting-out equilibrium time from approximately 100 min to 30 min for acetone and 1-butanol, while ethanol reached equilibrium in less than 5 min under all conditions. Higher temperatures further extended equilibrium time. This work highlights the positive effect of salt concentration on shortening equilibrium time and the counterintuitive effect of higher temperatures in extending equilibrium time, offering new insights into optimizing salting-out separation for biofuel production.
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Nature Communications
·
2026
·
IF 18.1
Zhang Pu,Zeng Haihua,Zhang Qiang,Wang Peifang,Che Huinan,Tang Chunmei,Xu Jingjing,Long Jinlin,Liu Bin,Ao Yanhui
Azole-linked covalent organic frameworks have drawn a lot of attention in photocatalytic synthesis of hydrogen peroxide, yet remain challenged by complex and costly synthetic routes. Here, we present a light-induced structural transformation strategy to facilely construct azole-linked covalent organic frameworks. We find that benzisoxazole linkages can be in-situ formed from imine linkages under light irradiation. As expected, the evolved partially benzisoxazole-linked covalent organic framework achieves a high hydrogen peroxide yield rate of 1986.9 μmol·g −1 ·h −1 in pure water. Theoretical calculations and spectral characterizations reveal significantly enhanced charge carrier separation and transfer efficiency, due to the formation of donor-acceptor structure. Furthermore, the in-situ formed benzisoxazole unit acts as both electron acceptor and catalytic center, promoting the reduction of dioxygen to superoxide radical, which is then converted into hydrogen peroxide, ultimately enhancing the yield. This work demonstrates a pioneering strategy for constructing benzisoxazole-linked covalent organic frameworks with high performance on hydrogen peroxide photo-synthesis.
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CARBOHYDRATE POLYMERS
·
2026
·
IF 13.2
Yong Zhu,Fengyan Chen,Bingmin Wu,Yishan Tong,Kunbo Ning,Zhiyuan Zhen,Jihang Chen
Polysaccharide-based supramolecular self-assembled hydrogels are promising biomaterials owing to their biocompatibility and dynamic controllability. This study was to explore the use of a polysaccharide (PSP) isolated from a well-known Chinese herb, Polygonatum sibiricum Red. (Huangjing) in the supramolecular self-assembled hydrogel. PSP was characterized as a neutral fructan with a backbone of →1)-β-D-Fru f -(2 → and →1,6)-β-D-Fru f -(2 → units bearing O-6–substituted branches. PSP/Chitosan (PSP/CS) hydrogels were prepared with different PSP concentrations (4, 6, 8, 10, 12 wt%), forming 3D network porous structure composed of nanofiber chains, with the pore size ranging from 0.67 to 13.67 μm. Increasing PSP content markedly enhanced gel strength and stability, as evidenced by higher storage modulus (G'), increased compressive modulus (0.03–0.75 kPa), and improved thermal stability (maximum degradation-rate temperature from 290 to 302 °C). In addition, PSP/CS hydrogels exhibited high swelling (2673 ± 65%) and water retention (78.26 ± 1.58%) properties. Hydrogen bonding was the predominant driving force for self-assembly. Furthermore, PSP/CS hydrogel preliminarily showed good cytocompatibility toward Caco-2 cells. In conclusion, these findings clarify the structure–assembly–property relationships of PSP/CS hydrogel and suggest a design strategy for exploiting fructan polysaccharides in advanced biomaterials.
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FOOD CHEMISTRY
·
2026
·
IF 10.4
Yina Yang,Wenxuan Zhu,Huijun Liu,Jiaying Wang,Xin Jia,Yuchun Tao,Jing Meng,Qingyu Meng,Jing Dai,Lijia Yu,Chunguang Ding
Paraquat (PQ), a highly toxic and persistent herbicide, poses severe risks to environmental and public health. Herein, we developed a supramolecular indicator displacement assay (IDA) for PQ detection using a squaraine dye (J3-Ad) and cucurbit[7]uril (CB7). PQ displaces J3-Ad monomers from the J3-Ad&CB7 (J3&CB) complex, inducing J3-Ad self-assembly into H-aggregates. This process was characterized by Ultraviolet–visible (UV–vis) absorption and fluorescence spectroscopy, proton nuclear magnetic resonance ( 1 H NMR) spectroscopy, and density functional theory (DFT) calculations. The assay achieved a detection limit of 1.86 μM with a linear range of 0–30 μM, and exhibited excellent anti-interference ability. It was successfully applied to visually detect PQ in soil and fruit samples, with recovery rates of 96.21–104.66%. This method provides a simple, rapid, and reliable approach for monitoring PQ residues in environmental and food safety applications.
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Journal of Environmental Chemical Engineering
·
2026
·Vol. 14
·期 2
·122009
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IF 7.5
Xingyu Guo,Haiyan Song
Photocatalytic H 2 O 2 production from O 2 using covalent organic frameworks (COFs) is a promising solar-to-chemical energy conversion route. However, existing design strategies for COF-based photocatalysts are constrained by various issues, making it difficult to achieve synergistic optimization of both photogenerated charge separation efficiency and catalytic activity. In addition, compared with pure water medium, achieving efficient H 2 O 2 production in alcohols is of great significance for alcohol-mediated organic synthesis and direct alcohol fuel cells. Herein, two amide-linked COFs were fabricated via site-specific benzene ring functionalization, focusing on precise amino group incorporation. Aligned with recent advances in photocatalytic structure property relationships, amino group introduction induces significant charge density differentials in COFs, modulating donor acceptor interactions and efficiently promoting photogenerated charge separation/transport. Consequently, the 2-aminoterephthalic acid-based COF (PPTD-COF) exhibits superior photocatalytic H 2 O 2 production performance. PPTD-COF achieves a H 2 O 2 productivity of 16.23 mmol h −1 g −1 in ethanol within 0.5 h, 16-fold higher than the unmodified terephthalic acid-based COF (PTA-COF). Ethanol acts as an efficient electron-proton donor, supplying abundant H + for the oxygen reduction reaction (ORR) and facilitating proton-coupled electron transfer (PCET) for efficient H 2 O 2 generation. This work develops a site-specific functionalization strategy to tune COF electronic structures, optimize donor-acceptor interactions, and enhanced charge dynamics, highlighting potential applications in sustainable energy and environmental remediation.
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APPLIED SURFACE SCIENCE
·
2026
·
IF 6.6
Shan Tang,Jiumei He,Chengcheng Wan,Li Jiang,Qianchun Zhang
This study addresses the urgent demand for simple and sensitive online gas monitoring technologies in the field of environmental safety by developing a high-performance cataluminescence (CTL) sensor based on oxygen-vacancy-rich microporous titanium dioxide (Ovm-TiO 2 ) for detecting trace isobutyraldehyde (IBL). The Ovm-TiO 2 material, synthesized via a two-step heating process combined with a KBH 4 treatment, features abundant oxygen vacancy defects on its surface, which are pivotal to enhancing sensor performance. Density functional theory (DFT) calculations unravel the surface-mediated mechanism, the oxygen vacancies serve as active sites, drastically enhancing the chemical adsorption and activation of O 2 on the Ovm-TiO 2 surface, which is the key to boosting the cataluminescence efficiency. The developed sensor exhibits outstanding detection performance for IBL, with a wide linear range (0.0100–5.00 mg/L, R 2 = 0.9997), a low detection limit (3 μg/L), and achieved recovery rates of 87.6%–107% with good reproducibility (relative standard deviation, RSD: 5.3%–9.0%) in practical sample analysis. This work not only provides a viable online monitoring solution for IBL but also elucidates the CTL enhancement mechanism at the atomic level, offering important theoretical foundations and practical insights for designing highly sensitive gas sensors.
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DISPLAYS
·
2026
·
IF 3.9
Qiwei Li,Yijian Zhou,Xinrui Huang,Caihong Yan,Shuaishuai Wang,Zongjie He,Chang Lin,Yang Li,Kaixin Zhang,Jie Sun,Qun Yan,Tailiang Guo
Micro quantum-dots light-emitting diodes (Micro-QLEDs) is a pivotal evolution in QLEDs displays. Inheriting the advantages of conventional QLEDs, such as wide color gamut, narrow emission bandwidth, and self-emissive properties while achieving ultra-small size. However, current fabrication methods for Micro-QLEDs are limited by complex processing, efficiency degradation, and high manufacturing costs, which hinder their commercialization. In this study, we employ an all inkjet-printing (AIJP) approach to overcome the compatibility limitations of conventional inkjet processes. In particular, A self-emissive red Micro-QLEDs with the structure ITO/PEDOT:PSS/TFB/QD/ZnO/Ag by stacking 5-soluble layers without intermixing. Its size has been scaled down to 30 μm—the smallest light-emitting area QLEDs for AIJP reported to date. The red Micro-QLEDs achieves the maximum external quantum efficiency (EQE) of 7.35% and a current efficiency of 11.19 Cd/A and the highest brightness of 61,377.41 Cd/m 2 . Accurate printing and uniform film formation were realized through systematic ink formulation optimization. The AIJP process offers significant advantages, including simplified fabrication, high material utilization, and independence from photolithography. This work represents a critical step toward the industrial production of full-color Micro-QLEDs displays and demonstrates strong potential for applications.
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SEPARATION AND PURIFICATION TECHNOLOGY
·
2026
·
IF 9.1
Xiang Ni,Yihang Xu,Pengjun Duan,Mengcheng Zhang,Xiaozheng Han,Xinwen Zhang,Xinrui Geng,Qiaomei Sun,Jianzhong Zheng,Zhaoxiang Zhong
Covalent organic frameworks (COFs), characterized by tunable porous structures and functional surfaces, have emerged as promising adsorbents for efficient separation and enrichment of radioactive iodine. However, the constructing of two-dimensional (2D) COFs that expose a high density of adsorption sites to achieve both high adsorption capacity and rapid kinetics remains a significant challenge. In this work, hollow COF (H-COF) were synthesized using a dynamic micellar assembly strategy in an emulsion system, employing Pluronic F127/P123 dual surfactants as a soft template. The H-COF exhibited hollow features, enhanced pore size distribution, pore capacity, and pore connectivity, providing more accessible pathways for accelerating iodine molecule diffusion. Impressively, the H-COF demonstrated a superior iodine adsorption capacity of 9.25 g·g −1 . In addition, the K 80% adsorption rate of H-COF was 0.93 g·g −1 ·h −1 , which is 9.3 times higher than that of conventional C-COF (0.10 g·g −1 ·h −1 ), highlighting its significantly faster adsorption kinetics. Mechanism analysis and DFT calculations revealed that polyiodide anions (I 3 − and I 5 − ) form through electron transfer from the imine groups in H-COF to iodine molecules, with a strong adsorption affinity for the imine bonds. This study presents an efficient iodine capture material and the potential of COFs in waste management.
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JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2026
·
IF 9.6
Ning Chen,Xingchen He,Junhui Shao,Dingyu Qiu,Yaning Gong,Najun Li,Dongyun Chen,Ying Zheng,Jianmei Lu
Efficient and recyclable piezoelectric polymers are promising materials for environmental purification and energy regeneration. In addition to the most widely studied polyvinylidene fluoride (PVDF), chiral poly-L-actic acid is an attractive biodegradable alternative that also exhibits piezoelectricity when highly oriented and polarized through electrospinning. In this work, highly-oriented electrospun fibers of poly-L-lactic acid (PLLA) doped with the dopamine-modified barium titanate (HBTO) are fabricated and subsequent hydrophilic modification yields a piezocatalytic membrane (HBTO@HPLLA) rich in catalytic active sites. The interfacial interaction between HBTO and PLLA is enhanced via hydrogen bonding, significantly improving the piezoelectric activities of the resulting composite membrane. Consequently, HBTO@HPLLA degrades Bisphenol A (BPA) in water under ultrasonic vibration at a rate constant 4.3 times higher than pure PLLA. Furthermore, when adhered to the blades of a propeller with mechanical stirring at 1200 rpm, the HBTO@HPLLA membrane also demonstrates high efficiency in BPA removal. This approach offers a promising strategy for developing biocompatible piezoelectric materials utilizing natural low-frequency mechanical energy for environmental remediation.
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