JOURNAL OF CEREAL SCIENCE
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2026
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IF 4.3
Baoqing Bai,Shijie Niu,Junnan Li,Bin Feng,Tao Bo,Jinhua Zhang,Ying Zhang,Yukun Yang
Huangjiu, an ancient Chinese alcoholic beverage, is primarily brewed through the fermentation of steamed grains using Jiuqu as starter. This study systematically investigated the effects of five nutritionally rich coarse cereals (oats, quinoa, sorghum, buckwheat and black rice) on the physicochemical, antioxidant and flavor profiles of Huangjiu (CCHJ: MQHM, MQLM, MQYM, MQGL, and MQKQ) fermented with Maiqu . The results demonstrated that five types of CCHJ samples exhibited strong antioxidant capacity, with MQLM and MQHM showing particularly high α-glucosidase inhibition rates, exceeding 95%. Functional component analysis revealed that MQHM contained the highest levels of amino acids, total flavonoids and polyphenols, while MQKQ exhibited the highest organic acid content. A total of 203 volatile flavor compounds (VFCs) were identified, with MQGL having the highest concentration, followed by MQHM. Furthermore, 12 common compounds, including ethanol, isopropanol, acetoin, 4-ethyl-2-methoxyphenol, ethyl palmitate, 3-methyl-1-butanol, 2-methoxy-4-vinylphenol, (S)-2-heptanol, phenethyl alcohol, 3,4-dimethylbenzaldehyde, methanol, and octanoic acid, were identified as key aroma compounds in CCHJ samples based on their odor activity value (OAV). The distinctive sweet profile of MQHM was strongly correlated with these compounds. These findings provide valuable insights into how to optimize the use of traditional coarse cereals and advancing the development of novel functional Huangjiu products.
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PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
·
2025
·
IF 7.8
Qian Lin,Guangju Ma,Xinmin Liu,Cai Wang,Xueyu Lu,Zhaoyang Liu,Qingrui Zhang,Jianbo Liu
Phenolic pollutants, particularly polyphenolic compounds, present a significant challenge in wastewater treatment due to their refractory nature, which leads to excessive emissions and substantial ecological risks. This study designed and synthesized a novel hydrophobic deep eutectic solvent (HDES) and systematically elucidated the microscopic mechanism of its highly efficient phenol extraction. Initially, three HDES systems were screened based on the Conductor-like Screening Model for Real Solvents (COSMO-RS) model. Molecular dynamics (MD) simulations demonstrated that HDES3 exhibited the best performance. MD simulations further revealed that electrostatic interactions (E elec ) dominate the phenol extraction process, while radial distribution function (RDF) and spatial distribution function (SDF) analyses indicated that a 1:1 hydrogen bond donor-acceptor (HBA-HBD) ratio creates stronger interaction sites. Experimental results showed that the extraction efficiencies for phenol and hydroquinone reached 99.9 % and 97.7 %, respectively, with the total phenol concentration in wastewater reduced from 6300 mg/L to 57.6 mg/L. The extraction mechanism was also elucidated. Electrostatic potential (ESP) and independent gradient model based on Hirshfeld partition (IGMH) analyses demonstrated that the oxygen atoms on the hydroxyl groups in HDES3 (1:1) form additional interaction sites with the O atoms of phenolic compounds, where hydrogen bonding plays a dominant role, synergistically enhanced by van der Waals (vdW) forces to significantly increase interaction strength. This study proposes an efficient phenolic pollutant extraction technology based on an HDES system, providing a green and high-performance solution for coal gasification wastewater treatment.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2026
·
IF 8.7
Bin Yan,Hongru Zhao,Bingmei Su,Juan Lin
Protein engineering altered the reaction direction of TsRTA for AP. • Adjusting the catalytic center and entrance of TsRTA promoted AP binding. • A 10-site variant of TsRTA enabled biosynthesis of ( R )-1-PEA. • An acetone elimination module increased Mu10 productivity by 57.4%. ( R )-1-Phenylethylamine [( R )-1-PEA] is an important chiral compound widely used in pharmaceuticals, chemical synthesis, and materials science. ω-Transaminases are valuable biocatalysts for the asymmetric amination of ketone substrates under mild conditions and represent an attractive tool for the green synthesis of chiral amines. However, in natural ( R )-selective transaminases, acetophenone (AP) is more commonly produced as the deamination product of ( R )-1-PEA, whereas its amination as an amino acceptor is generally inefficient. In this study, an ( R )-selective ω-transaminase from Thermomyces stellatus (TsRTA), which originally catalyzed only the deamination of ( R )-1-PEA to AP, was selected as the engineering target. Protein engineering was performed to shift its reaction equilibrium, thereby enabling the asymmetric synthesis of ( R )-1-PEA from AP. To overcome the thermodynamic limitation caused by acetone accumulation, an “acetone elimination–cofactor regeneration” coupled module was introduced to improve the whole-cell catalytic efficiency for ( R )-1-PEA synthesis using AP as the substrate. Under optimal reaction conditions (35 °C, pH 10.0, 0.5 mM PLP, an isopropylamine/AP molar ratio of 4:1, 200 mM formate, and 0.2 mM NAD + ), the whole-cell catalytic system produced 67 mM ( R )-1-PEA from 100 mM AP within 8 h. This study lays a foundation for the scalable preparation of ( R )-1-PEA and provides a useful reference for regulating the reaction direction of transaminases. Download: Download high-res image (205KB) Download: Download full-size image
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ACS Sustainable Chemistry & Engineering
·
2023
·
IF 8.4
Zhicheng Chen,Yuchan Deng,Guangxing Yang,Ya-Nan Zhu,Qiao Zhang,Zhiting Liu,Yonghai Cao,Feng Peng
M–N–C materials as catalysts are widely used in hydrocarbon oxidation, the intrinsic role of which has not been well illustrated. In this study, M–N–C (M = Fe, Co, Cu, Zn) as model catalysts for cumene oxidation through theoretical calculations and experiment validation are studied. The changes of Gibbs free energy (ΔG) for the elementary steps demonstrate that the activation of cumene/O2 molecules and the decomposition of cumene hydroperoxide (CHP) play a significant role in cumene oxidation. The interactions between M–N–C and cumene, O2, and CHP are fully investigated. There are strong interactions between FeNC/CoNC and O2, cumene, and CHP, in which the activation of cumene and O2 and the decomposition of CHP occurred more easily, thereby promoting the catalytic activity. Although the adsorption energy over CuNC (ΔECuNC) for cumene is comparable to ΔECoNC, the O2 molecule is physically adsorbed on CuNC, which leads to a lower activity than those of FeNC and CoNC. Metal tetraphenyl-porphyrins (MTPPs) with the corresponding structure of M–N–C as the catalysts are used to catalyze the oxidation of cumene. A volcanic curve correlation between the average adsorption energy (ΔEav.) and the conversion rate of cumene catalyzed by MTPPs is observed. The kinetic experiments confirmed that CoTPP displays the best catalytic activity, due to the high k80 and low activation energy for the crucial steps of cumene oxidation, which is consistent with the theoretical results.
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CHEMOSPHERE
·
2023
·
IF 8.8
Meihong Tan,Wanping Shi,Haifeng Wang,Guanglan Di,Zhengxin Xie,Shisuo Fan,Jun Tang,Fengshou Dong
The removal of antibiotics in wastewater has attracted increasing attention. Herein, a superior photosensitized photocatalytic system was developed with acetophenone (ACP) as the guest photosensitizer, bismuth vanadate (BiVO 4 ) as the host catalyst and poly dimethyl diallyl ammonium chloride (PDDA) as the bridging complex, and used for the removal of sulfamerazine (SMR), sulfadiazine (SDZ) and sulfamethazine (SMZ) in water under simulated visible light (λ > 420 nm). The obtained ACP-PDDA-BiVO 4 nanoplates attained a removal efficiency of 88.9%–98.2% for SMR, SDZ and SMZ after 60 min reaction and achieved kinetic rate constant approximately 10, 4.7 and 13 times of BiVO 4 , PDDA-BiVO 4 and ACP-BiVO 4 , respectively, for SMZ degradation. In the guest-host photocatalytic system, ACP photosensitizer was found to have a great superiority in enhancing the light absorption , promoting the surface charge separation-transfer and efficient generation of holes (h + ) and superoxide radical ( · O 2 − ) , greatly contributing to the photoactivity. The SMZ degradation pathways were proposed based on the identified degradation intermediates, involving three main pathways of rearrangement, desulfonation and oxidation. The toxicity of intermediates was evaluated and the results demonstrated that the overall toxicity was reduced compared with parent SMZ. This catalyst maintained 92% photocatalytic oxidation performance after five cyclic experiments and displayed a co-photodegradation ability to others antibiotics (e.g., roxithromycin, ciprofloxacin et al.) in effluent water . Therefore, this work provides a facile photosensitized strategy for developing guest-host photocatalysts, which enabling the simultaneous antibiotics removal and effectively reduce the ecological risks in wastewater.
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JOURNAL OF CATALYSIS
·
2023
·
IF 7.3
Jiahao Zhang,Jiabin Yin,Xiaonan Duan,Chenghao Zhang,Jisong Zhang
Reductive amination, a convenient way to convert carbonyl compounds into corresponding amines, gains increasing attention in the amine production. In this work, we propose a continuous reductive amination process in a micropacked bed reactor using nickel catalysts. The reductive amination of benzaldehyde is chosen as the model reaction to elucidate the effects of catalyst/support, solvent, temperature, the molar ratio of ammonia to benzaldehyde, pressure, and concentration. A high 99% yield of benzylamine is obtained under mild conditions, with less ammonia addition and shorter reaction time. Furthermore, a kinetic network for the reductive amination of benzaldehyde is established, and the rate-determining step is determined. Besides, satisfied yields (90–99%) were also obtained when applying this method to various substrates, including aromatic and aliphatic aldehydes, ketones, and biomass derivative furfural .
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SCIENCE OF THE TOTAL ENVIRONMENT
·
2023
·
IF 9.8
Zhansheng Li,Baocheng Qu,Jingqiu Jiang,Tadiyose Girma Bekele,Hongxia Zhao
The photoactivity of dissolved organic matter (DOM) has a great impact on the photodegradation of organic pollutants in natural waters. In this study, the photodegradation of TBBPA was investigated under simulated sunlight irradiation in the presence of copper ion (Cu 2+ ), dissolved organic matter (DOM) and Cu-DOM complexation (Cu-DOM) to illustrate the effect of Cu 2+ on photoactivity of DOM. The rate of photodegradation of TBBPA in the presence of Cu-DOM complex was 3.2 times higher than that in pure water. The effects of Cu 2+ , DOM and Cu-DOM on the photodegradation of TBBPA were highly pH dependent and hydroxyl radical(·OH) responded for the acceleration effect. Spectral and radical experiments indicated that Cu 2+ had high affinity to fluorescence components of DOM, and acted as both the cation bridge and electron shuttle, resulting the aggregation of DOM and increasing of steady-state concentration of ·OH (·OH ss ). Simultaneously, Cu 2+ also inhibited intramolecular energy transfer leading to the decrease of steady-state concentration singlet oxygen ( 1 O 2ss ) and triplet of DOM ( 3 DOM ⁎ ss ). The interaction between Cu 2+ and DOM followed the order of conjugated carbonyl C O, COO − or C O stretching in phenolic groups and carbohydrate or alcoholic C O groups. With these results, a comprehensive investigation on the photodegradation of TBBPA in the presence of Cu-DOM was conducted, and the effect of Cu 2+ on the photoactivity of DOM was illustrated. These findings helped to understanding the potential mechanism of interaction among metal cation, DOM and organic pollutants in sunlit surface water, especially for the DOM-induced photodegradation of organic pollutants.
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高影响因子
MOLECULES
·
2022
·Vol. 27
·期 24
·8783
·
IF 4.927
Zihui Xu,Jing Zhan,Zhirong Xu,Liangchen Mao,Xiaowei Mu,Ran Tao
The high flammability of vinyl ester resin (VE) significantly limits its widespread application in the fields of electronics and aerospace. A new phosphorus-based flame retardant 6,6’-(1-phenylethane-1,2 diyl) bis (dibenzo[c,e][1,2]oxaphosphinine 6-oxide) (PBDOO), was synthesized using 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) and acetophenone. The synthesized PBDOO was further incorporated with VE to form the VE/PBDOO composites, which displayed an improved flame retardancy with higher thermal stability. The structure of PBDOO was investigated using Fourier transformed infrared spectrometry (FTIR) and nuclear magnetic resonances (NMR). The thermal stability and flame retardancy of VE/PBDOO composites were investigated by thermogravimetric analysis (TGA), vertical burn test (UL-94), limiting oxygen index (LOI), and cone calorimetry. The impacts of PBDOO weight percentage (wt%) on the flame-retardant properties of the formed VE/PBDOO composites were also examined. When applying 15 wt% PBDOO, the formed VE composites can meet the UL-94 V-0 rating with a high LOI value of 31.5%. The peak heat release rate (PHRR) and the total heat release (THR) of VE loaded 15 wt% of PBDOO decreased by 76.71% and 40.63%, respectively, compared with that of untreated VE. In addition, the flame-retardant mechanism of PBDOO was proposed by analyzing pyrolysis behavior and residual carbon of VE/PBDOO composites. This work is expected to provide an efficient method to enhance the fire safety of VE.Keywords:vinyl ester resin;flame retardant;thermal stability;mechanism analysis
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Frontiers in Bioengineering and Biotechnology
·
2022
·
IF 6.064
Shao Lupeng,Wang Chao,Liu Yu,Wang Meng,Wang Luyan,Xu Feng
Lignin, an abundant aromatic biopolymer, has the potential to produce various biofuels and chemicals through biorefinery activities and is expected to benefit the future circular economy. Microwave-assisted efficient degradation of lignin in methanol/formic acid over Ru/C catalyst cooperated with metal chloride was investigated, concerning the effect of type and dosage of metal chloride, dosage of Ru/C, reaction temperature, and reaction time on depolymerized product yield and distribution. Results showed that 91.1 wt% yield of bio-oil including 13.4 wt% monomers was obtained under the optimum condition. Yields of guaiacol-type compounds and 2,3-dihydrobenzofuran were promoted in the presence of ZnCl2. Formic acid played two roles: (1) acid-catalyzed cleavage of linkages; (2) acted as an in situ hydrogen donor for hydrodeoxygenation in the presence of Ru/C. A possible mechanism for lignin degradation was proposed. This work will provide a beneficial approach for efficient depolymerization of lignin and controllable product distribution.
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ACS Sustainable Chemistry & Engineering
·
2023
·
IF 8.4
Zhikun Peng,Rongkui Chen,Hongji Li
Heterogeneous photocatalytic aerobic oxidation systems have been developed for selective degradation of polystyrene (PS) to aromatic monomers at room temperature and ambient pressure. The TiO2 particles modified with potassium stearate or N,N-diethyl-3-(trimethoxysilyl)propan-1-amine photocatalyzed the oxidative cleavage of commercial PS to benzoic acid with up to 43.5 mol % yield. Mechanistic studies revealed that the initial alkyl C–H oxidation and C–C cleavage were greatly improved by these alkaline modifiers. The superoxide anion radical and singlet oxygen acted as the key oxidative species during the degradation process. Common PS waste from daily life also underwent efficient degradation with 18–44.2 mol % yields of benzoic acid on the developed catalysts.
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ChemCatChem
·
2023
·Vol. 15
·期 21
·e202300852
·
IF 4.5
Mengyang Liu,Bin Gu,Jingmei Li,Huangzhao Wei,Weiyang Xue,Yukun Jiang,Chenglin Sun
Graphical Benefiting from the synergistic effect of supported bimetallic CeFe which induces higher metal dispersion and higher content of reactive oxygen, and the buffering effect of resin-derived-carbon on free radicals, the aerobic oxidation of cyclohexanone to ϵ-caprolactone (ϵ-CL) is performed over CeFe@RDC-x, and the catalytic efficiency is significantly improved. Especially, when solvent-free and green solvents (such as ethyl acetate) are used, excellent catalytic conversion effects are achieved. Upgrading cyclohexanone to ϵ-caprolactone (ϵ-CL) is of great importance to the synthesis of high value-added downstream chemicals and the reduction of foam plastic. The catalytic synthesis of ϵ-CL from cyclohexanone through O 2 /aldehyde method is an environmentally benign one-pot tandem reaction without using peroxy acid, balancing the requirements of safety and efficiency. However, due to lack of elaborate design and collaboration of multiple active sites for catalysts, the catalytic efficiency of O 2 /aldehyde method still remains to be improved. Herein, a pitaya-like catalyst (CeFe@RDC-3) with Ce and Fe highly dispersed on resin-derived-carbon is synthesized through high temperature self-assembly. On this bimetallic catalyst, high yield (97 %) of ϵ-CL is achieved through aerobic oxidation of cyclohexanone with only 1.5 equivalent benzaldehyde. Moreover, considerable yields of ϵ-CL, 88.3 % and 74.7 %, respectively, are also obtained over CeFe@RDC-3 with green solvent (EtOAc) or even without solvent. No loss of activity is observed after five successive cycles, demonstrating high stability of CeFe@RDC-3. The mechanism study reveals that the high performance of CeFe@RDC-3 is ascribed to the Ce−Fe bimetallic synergy, uniform metal dispersion, abundant active oxygen and stabilizing effect of resin-derived-carbon to free radicals. This work provides prospect for a green, safe and low-cost strategy for Baeyer-Villiger process.
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High Voltage
·
2022
·Vol. 8
·期 3
·550-559
·
IF 4.967
Penghao Zhang,Chenguo Yao,Liang Yu,Xuetong Zhao,Lisheng Zhao,Linghan Lan,Shoulong Dong
Better electrical insulation and thermal management are both urgently required in integrated power semiconductors. Electrical insulation epoxy encapsulation suffers from poor heat conduction, which has increasingly become a bottleneck of power semiconductors integration. Although incorporating high thermal conductivity ceramics, such as hexagonal boron nitride (hBN), aluminium nitride etc. into epoxy promotes the thermal conductivity, the eco-friendly scalable fabrication of these composites with sufficient electrical breakdown strength remains a formidable challenge. Suitable voltage stabilizers are known to provide additional benefits to breakdown strength. Herein, a high-throughput approach combining plasma with roll-to-roll was developed. The voltage stabilizer (acetophenone) was grafted on interfaces between hBN and epoxy matrix through plasma. The high-energy electrons are consumed by the grafted interface, which leads to the significant suppression of partial discharge in Epoxy/hBN. Meanwhile, interfacial phonon scattering is repaired by grafting. Therefore, the epoxy composite concurrently exhibits improved breakdown strength (by 27.4%) and thermal conductivity (by 142.9%) at about 11.9 wt.% filler content, outperforming the pure epoxy. Consequently, a promising modification strategy for mass production is provided for the encapsulation materials in various high-power-density semiconductor devices.
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