JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2026
·
IF 2.4
Ke Yujiang,Huang Lemei,Che Chaohui,Chen Yihui,Zhan Junyong,Wu Kui
The solubility of 8-Hydroxyquinoline (8-HQ) was investigated
in
16 pure solvents, including eight alcohols (methanol, ethanol, n -propanol, isopropanol, n -butanol, isobutanol, n -pentanol, isopentanol), four ketones (2-butanone, 2-pentanone,
cyclopentanone, cyclohexanone), three esters (ethyl formate, methyl
acetate, ethyl acetate) and acetonitrile. The stability of the crystalline
form during dissolution was confirmed by X-ray powder diffraction
(XRPD), and the melting properties were characterized via differential
scanning calorimetry (DSC). Five thermodynamic models, namely the
modified Apelblat equation, the λ h model, the
nonrandom two-liquid (NRTL) model, the Wilson model, and the Yaws
model, were employed to correlate the experimental solubility data.
The fitting performance of each model was assessed using the coefficient
of determination ( R 2 ), relative average
deviation (RAD), and root-mean-square deviation (RMSD). The results
demonstrate that the molar solubility of 8-HQ increases monotonically
with temperature, and all five models provide satisfactory correlation
of the experimental data. Furthermore, mixing thermodynamic properties
(Gibbs free energy, enthalpy, and entropy) calculated from Wilson
model parameters reveal that mixing between 8-HQ and every solvent
is spontaneous and entropy-driven. This work provides a comprehensive
solubility database for 8-HQ, offering essential thermodynamic evidence
and model support for the design of high-yield crystallization processes.
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TRENDS IN BIOTECHNOLOGY
·
2026
·
IF 16.6
Yida Zhai,Limei Chen,Fuguo Liu,Fei Li,Liucheng Long,Menghan Chi,Jinju Ma,Wuxi Chen,Yang Yang,Yu Duan,Guofu Chen,Demao Li
Microbial conversion of CO and CO 2 offers a promising route to C1 gas valorization, but acetogenic syngas fermentation remains constrained by bioenergetic bottlenecks. To address this, a biohybrid system integrating bovine serum albumin-stabilized gold nanoparticles with Clostridium autoethanogenum was constructed, increasing intracellular ATP levels, modulating redox balance, and promoting cell growth under illumination. Transcriptomic analysis of this system systematically identified key energy complexes and positive regulators associated with enhanced cellular energy metabolism. Based on these elements, a Push–Pull–Block strategy was implemented to generate the target strain CAB181, which increased OD 600 -normalized production of ethanol, acetate, and total acids and alcohols by 46.5%, 35.1%, and 34.2%, respectively. Multiomics analysis confirmed molecular-level metabolic reprogramming in CAB181. This work provides an effective strategy to improve the bioenergetic robustness and fermentation performance of C. autoethanogenum -based cell factories, and offers a reference framework for future engineering of other acetogens.
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高影响因子
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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TALANTA
·
2026
·
IF 6.7
Hui-Shuang Li,Na-Na Ran,Hong-Wei Li,Yuqing Wu
Developing robust methods to discriminate methanol from ethanol is critical for industrial safety and quality control. Herein, we report a novel strategy of two-step solvothermal method to synthesize dual-emission carbon dots ( p -PD CDs) from p -phenylenediamine. The p -PD CDs exhibit unique, solvent-dependent fluorescence: in ethanol, they display a dominant blue emission at 445 nm with a weaker red emission at 598 nm; while in methanol, the blue emission is significantly quenched and red-shifted to 465 nm. This distinct solvatochromic response provides a ratiometric luminescent signal ( I 445 /I 598 ) for highly selective methanol detection in ethanol across two linear ranges (1-60 vol% and 60-100 vol%), achieving a detection limit of 0.38 vol%. Comprehensive characterization using transmission electron microscopy (TEM), femtosecond transient absorption (fs-TA), and ultraviolet photoelectron spectroscopy (UPS) revealed that the emission differences originate from methanol-caused aggregation of p -PD CDs. This aggregation is driven by weaker hydrophobic interactions and stronger hydrogen bonding compared to ethanol, leading to aggregation-caused quenching (ACQ) and an accelerated non-radiative decay pathway for the blue emission, as confirmed by time-resolved and transient absorption spectroscopy. The practical utility was successfully demonstrated by accurately quantifying methanol in industrial ethanol and a commercial cleaner with excellent recovery rates (99.5-101.7%), highlighting its significant potential for real-world application.
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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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JOURNAL OF MOLECULAR LIQUIDS
·
2026
·
IF 5.2
Bin Ou,Xiaofang Li,Lemei Huang,Yujiang Ke,Chaohui Che,Yanyan Huang,Zhijia Wang,Xiaobing Liu,Yajun Li,Kui Wu
The solubility of 3,3′-Diindolylmethane in 14 different solvents (272.45–324.25 K) was determined using the gravimetric method. The results show that its solubility increases with rising temperature across the studied solvent range. At 298.15 K, the solubility of 3,3′-Diindolylmethane in the solvents follows the order: 2-pentanone > ethyl acetate > methyl acetate > ethyl formate > acetonitrile > n-pentanol > n-butanol > n-propanol > ethanol > isopropanol > isopentanol > methanol > isobutanol > toluene. Five thermodynamic models were employed to correlate the experimental data, among which the modified Apelblat model provided the best fit. In addition, electrostatic potential energy surface analysis was conducted to preliminarily evaluate possible solute solvent interactions. Results from density functional theory calculations and the KAT-LSER model indicate that 3,3′-Diindolylmethane primarily acts as a hydrogen-bond donor, and its solubility is synergistically influenced by the hydrogen-bond acceptor ability, polarity, and hydrophobicity of the solvents. Furthermore, the mixing thermodynamic properties of the dissolution process were calculated using a Wilson-based model, revealing that the dissolution of 3,3′-Diindolylmethane in the studied solvents is a spontaneous, endothermic, and entropy-driven process.
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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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ANALYTICAL LETTERS
·
2023
·
IF 2
Zhengyu Wang,Yufeng Hu,Zhiduo Ding,Hao Zhou,Jianye Zhang,Jingjing Zhan,Minghuo Wu
For the identification of trace-level organic nitrogen compounds (NCs) in gasoline, a method consisting of water-assisted dispersive solid-phase extraction (DSPE) and high-performance liquid chromatography-high resolution mass spectrometry was developed in which mixed-mode cation exchange was used as the adsorbent. To increase the DSPE efficiency, water was dispersed into the gasoline to increase the pronation of NCs and enhance the ionic interaction with the adsorbent. After systematic optimization of DSPE conditions, including the adsorbent mass, sample volume, water to gasoline ratio, sample loading time, washing and elution solvents, sensitive determination of NCs (detection limits from 0.1 to 5 ng/L for the 14 analytes) was achieved by this method with a 100-fold enrichment. A number of unknown NC isomers were observed from the extracted ion chromatograms based on the accurate determination of mass-to-charge ratio (m/z), from which two sets of isomers at theoretical m/z of 122.09643 and 136.11208 were selected for identification. By careful elucidation of the product ion spectra of the selected ions, 16 NCs were putatively identified, in which six non-aniline homologs were reported for the first time.
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JOURNAL OF FOOD SCIENCE
·
2023
·Vol. 88
·期 4
·1392-1408
·
IF 3.9
Hangxin Zhu,Hongyan Yang,Xianyu Zhou,Huan Li,Ruiqi Feng,Fang Yuan,Siyi Pan,Xiaoyun Xu
Volatile compounds in wine have a critical impact on the consumers’ senses. In this study, the effect of diammonium phosphate (DAP) and glutamine on sulfur-containing volatiles and sensory properties of Chardonnay wine fermented with Saccharomyces cerevisiae yeast were evaluated. Fermentation kinetics was determined by monitoring reducing sugar consumption rates during fermentation. The volatile profile of wines was analyzed by headspace solid phase microextraction (HS-SPME) coupled with gas-chromatography-mass spectrometry (GC-MS). The volatile sulfur compounds (VSCs) were analyzed by HS-SPME-GC-MS/MS. Flavor attributes of wines were assessed by a sensory panel with quantitative descriptive analysis. A total of 53 volatiles, including 6 VSCs, were identified and quantified in the Chardonnay wine. The results suggested that glutamine supplementation at the beginning of fermentation could help to initiate fermentation earlier and promote the formation of isoamyl acetate, phenethyl acetate, ethyl nonanoate, methyl decanoate, diethyl succinate and phenethyl alcohol, isobutanol, while DAP supplementation had no obvious effect on the volatile composition of the resulting wine and fermentation kinetics. Practical Application Suitable nitrogen source is helpful to a healthy fermentation, and can also prevent the off-flavor and regulate aroma profile of wine. This study provides insights on the volatile and sensory characteristics of Chardonnay wines affected by different nitrogen source addition.
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高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2023
·
IF 4.7
Xia Zhang,Haibo Wang,Lianke Gou,Lanpeng Li,Aijun Duan,Zhengkai Cao
Serial VPO catalysts with different crystal structures were prepared by adjusting the ratios of air and N 2 in the calcination process. The precursors and vanadium phosphorus oxide (VPO) catalysts were characterized by various measurements. As the air and N 2 ratios were lower than 1:1, the ordered VOHPO 4 ·0.5H 2 O phase was mainly formed in the precursors during calcination. However, as the ratio of air to N 2 reached 3:1, amorphous VOPO 4 phases were formed over the surface of the precursor during calcination, which prevented the formation of ordered V5+ species over the surface of the VPO catalyst after activation. Meanwhile, a high proportion of VOHPO 4 ·0.5H 2 O in the precursor could facilitate more formation of the ordered α 1 -VOPO 4 phase over the surface of the VPO catalyst. Interestingly, the crystal structure over the surface of active VPO catalysts was totally different from the core of VPO catalysts. There were more P species and V species with 5+ existing over the surface of the VPO catalysts. The evaluation results of n-butane oxidation showed that when the ratio of air to N 2 was 1:3, the corresponding VPO-1A catalyst presented the highest conversion of n-butane and yield of the MA product (57.6 m% at 412 °C). The reason should be related to the fact that the VPO-1A catalyst possessed the highest acidity and proportions of surface V5+ species and Sur-O species. As the ratio of air to N 2 reached 3:1, the VPO-3A catalyst showed the poorest performance in the oxidation of n-butane, which could be due to the formation of inactive and amorphous VOPO 4 phases over the surface of the VPO catalyst. Finally, kinetic and thermodynamic models were established and calculated to investigate the characteristics of n-butane oxidation reactions for various VPO catalysts.
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ACS Omega
·
2023
·
IF 4.1
Yuzhu Li,Kangzhuo Yang,Zhanglan He,Zhipeng Liu,Jialing Lu,Dong Zhao,Jia Zheng,Michael C. Qian
Electronic nose (E-nose) technology is frequently attempted to simulate the human olfactory system to recognize complex odors. Metal oxide semiconductors (MOSs) are E-noses’ most popular sensor materials. However, these sensor responses to different scents were poorly understood. This study investigated the characteristic responses of sensors to volatile compounds in a MOS-based E-nose platform, using baijiu as an evaluation system. The results showed that the sensor array had distinctive responses for different volatile compounds, and the response intensities varied depending on the sensors and the volatile compounds. Some sensors had dose–response relationships in a specific concentration range. Among all the volatiles investigated in this study, fatty acid esters had the greatest contribution to the overall sensor response of baijiu. Different aroma types of Chinese baijiu and different brands of strong aroma-type baijiu were successfully classified using the E-nose. This study provided an understanding of detailed MOS sensor response with volatile compounds, which could be further applied to improve the E-nose technology and its practical application in food and beverages.
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高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2023
·
IF 4.7
Mingxia Yang,Senqing Fan,Jiaojiao Chen,Yu Chen,Chuang Li,Jiaxin Meng,Haijie Qing,Yangchao Liu,Zeyi Xiao
An electrocatalytic membrane structured reactor (EMSR) fabricated by loading MnO 2 catalyst in Ti membrane pores for oxidation of n-propanol coupled with hydrogen evolution. During the process of n-propanol oxidation coupled with hydrogen evolution by MnO 2 @Ti EMSR via flow-through mode, the conversion rate of n-propanol was increased by 44%, the selectivity of propionic acid was increased by 33%, and the Faraday efficiency was increased by 59%, compared with those of MnO 2 /Ti membrane with MnO 2 immobilized on the membrane surface. Enhanced contact and mass transfer are two contributors for the catalytic performance improvement by MnO 2 @Ti EMSR via flow-through mode. Besides, the cell voltage during n-propanol oxidation coupled with hydrogen production is decreased by 305 mV with energy consumption reduced by 0.73 kWh Nm H2 -3 , compared with those of hydrogen evolution by water splitting with oxygen evolution reaction. The achievements of this work provide a promising strategy for coproduction of propionic acid and hydrogen.
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危险品化学品经营许可证（带存储）