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RENEWABLE ENERGY · 2024 · IF 9

Role of fuel and free diffusion of furan/diesel and methyl heptanoate/diesel blends spray on combustion characteristics

Peng Zhang,Guoqiang Chen,Hao Chen,Han Wu,Limin Geng,Long Qi,Donghui Qi,Zhanming Chen,Jianming Cao,Yanlei Ma

Furan and methyl heptanoate are potential substitute fuels for high energy density and renewability. Free spray diffusion after injection greatly influences the combustion process. In this study, the effects of free diffusion of pure diesel (D100) and four blends (F10, F20 (10 %, 20 % furan and 90 %, 80 % diesel), MH10, MH20 (10 %, 20 % methyl heptanoate and 90 %, 80 % diesel)) spray on combustion characteristics were investigated in a constant volume bomb. The results show that the effects of fuel properties on gas-liquid area and gas-to-liquid ratio of area (GTL ar ) at free diffusion stage are more significant. The GTL ar of F20 and MH20 reaches about 1.86, while D100 is 0.82. At 140 MPa, the peak flame area of F20 and MH20 exceeded 750 mm 2 , while D100 was near 600 mm 2 . When the gas-liquid area and GTL ar increase, the flame temperature increases. At 140 MPa, the flame KL of F20 and MH20 is net-zero, while the flame KL of D100 is above 3. It reveals that blending furan and methyl heptanoate is beneficial to reduce soot formation due to higher temperature and oxygen content, respectively. These findings provide a basis for the engine application and bioenergy efficient utilization of furan and methyl heptanoate as renewable energies.

CAS / MDL: 110-00-9 106-73-0
研究领域: 能源科学 · 燃烧学
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APPLIED CATALYSIS B-ENVIRONMENTAL · 2013 · IF 5.825

Hydrogenolysis of methyl heptanoate over Co based catalysts: Mediation of support property on activity and product distribution

Qiying Liu,Yuwei Bie,Songbai Qiu,Qi Zhang,Jani Sainio,Tiejun Wang,Longlong Ma,Juha Lehtonen

Co/MgO, Co/SiO 2 and Co/Hβ catalysts were prepared by incipient wetness impregnation. The formation of MgO-CoO solid solution and MgCo 2 O 4 spinel in Co/MgO resulted in high dispersions of Co on MgO even at the low calcined temperatures and the high Co loadings. The second impregnation of Co on Co/MgO enhanced Co cations in surface/subsurface of catalysts, which led to the enlarged metallic Co particle sizes by H 2 reduction. Comparatively, the highly dispersion of Co was only observed on SiO 2 and Hβ at the low Co loadings owing to the Co δ + species of strong interactions with these supports. The solid solution/spinel and the strongly interacted Co δ + species induced the Co cations reduced at higher temperatures with obtaining the small Co particle sizes. These cases also significantly decreased the basicities of Co/MgO depending on calcined temperature and Co loadings, and increased the acidic sites of Co/SiO 2 and Co/Hβ with obtaining enhanced acidities, respectively. During hydrogenolysis processing, the basic sites of Co/MgO triggers the splitting of acyl C O bond of methyl heptanoate to form heptanal and methanol, followed by further hydrogenation of heptanal to 1-heptanol. While the acidic Co/SiO 2 and Co/Hβ induce the cracking of ether C O bond to heptanoic acid and CH 4 . Heptanoic acid intermediate is then converted into C 6 and C 7 alkanes by the parallel decarbonylation and HDO pathways, respectively. The activity and product distribution could be facilely mediated by the synergistic catalysis of metal and acid/base. Under optimal conditions, the maximal 1-heptanol and summed C 6 /C 7 alkanes yields of 55% and 89% were observed over Co/MgO and Co/SiO 2 with desire Co loadings, respectively, indicating the promising applications of these catalysts in hydrogenolysis of vegetable oils.

研究领域: 催化化学 · 能源材料科学
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JOURNAL OF ANTIBIOTICS · 2019 ·Vol. 72 ·期 10 ·736-743 · IF 2.446

Two novel cyclic depsipeptides Xenematides F and G from the entomopathogenic bacterium Xenorhabdus budapestensis

Xi Xuedong,Lu Xingzhong,Zhang Xiaodong,Bi Yuhui,Li Xiaochun,Yu Zhiguo

Two novel depsipeptides xenematides F and G ( 1 , 2 ), were isolated from entomopathogenic Xenorhabdus budapestensis SN84 along with a known compound xenematide B. The structures of the two new molecules were elucidated using NMR, MS and Marfey’s method. The xenematide G ( 2 ) contains α-aminoheptanoic acid, a non-protein amino acid that is rarely found in secondary metabolites from entomopathogenic bacteria. Xenematides F and G were tested for antibacterial activity. Xenematide G ( 2 ) exhibited moderate antibacterial activity.

研究领域: 微生物学 · 天然产物化学 · 药物开发
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2015 · IF 2.679

Isobaric heat capacities of ethyl heptanoate and ethyl cinnamate at pressures up to 16.3 MPa

Xiangyang Liu,Chao Su,Xuetao Qi,Maogang He

In this work, new experimental values for the isobaric molar heat capacities of ethyl heptanoate and ethyl cinnamate are presented at temperatures ranging from (305 to 387)   K and under pressures up to 16.3   MPa. The relative expanded uncertainty of the isobaric molar heat capacity is estimated to be less than 1%. The isobaric molar heat capacities of ethyl heptanoate and ethyl cinnamate rise with the increasing temperature and fall with the increasing pressure. Based on the experimental findings in our work and from the literature, the isobaric molar heat capacities of saturated fatty acid methyl esters and fatty acid ethyl esters are found to rise with the carbon number, while the isobaric molar heat capacity of aromatic ester ethyl cinnamate is lower than that of the saturated fatty acid ethyl ester with the same or less carbon number due to the unsaturation. A correlation is proposed for the isobaric molar heat capacities of ethyl heptanoate and ethyl cinnamate with a maximum absolute relative deviation of 0.5%.

CAS / MDL: 106-30-9 103-36-6
研究领域: 物理化学 · 热力学
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CHEMISTRY OF NATURAL COMPOUNDS · 2021 ·Vol. 57 ·期 2 ·312-314 · IF 0.809

A New Sesquiterpene Derivative from the Mangrove Endophytic Fungus Trichoderma harzianum (Strain No. R1)

Qin Chan,Hu Zhibo,Xiong Yahong,Chen Min,Li Chunyuan,Ding Weijia

A new sesquiterpene derivative, ethyl hydroheptelidate ( 1 ), was isolated from the mangrove endophytic fungus Trichoderma harzianum R1. Its structure was elucidated by comprehensive spectroscopic analyses. This compound showed high antifungal activity against two plant pathogenic fungi, Fusarium oxysporum and Colletotrichum musae , and moderate to weak antibacterial activity against three types of avian pathogenic Escherichia coli: O8, O78, and O101.

研究领域: 微生物学 · 天然产物化学 · 植物病理学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

Liquid viscosities for methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate at high pressures

Xiaojie Wang,Shanshan Zhu,Xiaopo Wang

The experimental measurements for liquid viscosities of four fatty acid methyl esters, including methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate, were carried out with a falling-cylinder viscometer. For the present measurement, the temperature ranges were from 292 K to 362 K and the pressure was reached to 30 MPa. The combined expanded relative uncertainty of the viscosity measurements was within 0.03 with 0.95 confidence level. The viscosity data for each studied esters were correlated by Andrade-Tait equation, and the average absolute relative deviation between the experimental data and calculated values is 0.31%, 0.44%, 0.38%, and 0.25% for methyl hexanoate, methyl heptanoate, methyl caprylate, and methyl nonanoate, respectively. The maximum absolute relative deviation is 1.09%, 1.28%, 1.28%, and 0.75%.

研究领域: 化学工程 · 物理化学
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RSC Advances · 2022 ·Vol. 12 ·期 38 ·25060-25067 · IF 4.036

A portable smartphone-based detection of glyphosate based on inhibiting peroxidase-like activity of heptanoic acid/Prussian blue decorated Fe3O4 nanoparticles

Dan Chen,Chunqiong Wang,Dezhi Yang,Huimin Deng,Qiulan Li,Li Chen,Gaokun Zhao,Junli Shi,Ke Zhang,Yaling Yang

The rapid and onsite detection of glyphosate in tobacco products is still a great challenge. In this study, a novel smartphone-assisted sensing platform for the detection of glyphosate has been successfully proposed through the peroxidase-like activity of Fe3O4-based nanozyme. Heptanoic acid/Prussian blue (PB) decorated Fe3O4 nanoparticles (Fe3O4@C7/PB) could catalyze and oxidize 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS, colorless) into a steel blue colored product in the presence of hydrogen peroxide. Glyphosate could specifically inhibit the peroxidase-like activity of Fe3O4@C7/PB by occupying the active site, thereby the glyphosate detection could be accomplished within 10 min by monitoring the color change of ABTS. This study has developed a smartphone-based portable detection platform for online analysis of glyphosate with a detection limit of 0.1 μg mL−1. The absorbance response curve of glyphosate showed good linearity in the concentration range of 0.125–15 μg mL−1 at 415, 647, and 730 nm. Moreover, by employing a co-precipitation technology and inhibiting the peroxidase-like activity, the glyphosate analysis would be less affected by the tobacco sample matrix. The nanosensor possesses excellent selectivity and anti-interference ability, which has application value in actual samples for onsite screening.

研究领域: 分析化学 · 环境科学 · 纳米技术 · 智能手机应用 · 烟草科学
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FOOD CHEMISTRY · 2022 · IF 9.231

Improving flavor, bioactivity, and changing metabolic profiles of goji juice by selected lactic acid bacteria fermentation

Wenhui Duan,Qijie Guan,Hui-Ling Zhang,Fang-Zhou Wang,Ran Lu,De-Mao Li,Yan Geng,Zheng-Hong Xu

Lactic acid bacteria (LAB) have exhibited strain/species specificity for different food matrices. We investigated the impact of LAB fermentation on the flavor, chemical profile, and bioactivity of goji juice. The colony counts of five selected strains reached above 8.5 log CFU/mL. The fermentation increased the organic acids, decreased the sugars, and improved the sensory quality of goji juice. The majority of the strains had increased acetic acid, heptanoic acid, ethyl phenylacetate, and linalool levels. Specific strains suppressed α-glucosidase and pancreatic lipase activities and increased the antioxidant activities of fermented goji juice. Based on non-targeted metabolomics and activities, 23 important differential metabolites were screened among 453 metabolites. The quantification results showed that isoquercitrin and m -coumaric content varied among strains, reflecting the strain specificity in flavone and flavonol biosynthesis and phenylalanine, tyrosine, and tryptophan biosynthesis. These findings will provide useful information for fermented goji juice biochemistry research.

研究领域: 食品科学 · 微生物学 · 生物化学 · 营养学
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Foods · 2025 ·Vol. 14 ·期 21 ·3781 · IF 5.1

Comprehensive Investigation of Grade-Specific Aroma Signatures in Nongxiangxing Baijiu Using Flavoromics Approaches

Yangyang Sun,Heyun Zhang,Huan Zhang,Jihong Huang,Liping Du,Juan Wang

At present, the classification of nongxiangxing baijiu (NXB) predominantly relies on the subjective expertise of distillers and tasters, in the absence of scientifically standardized criteria. This reliance poses challenges for achieving precise classification. Consequently, there is an urgent need to employ flavoromics technology to identify the key characteristic aroma compounds that distinguish different grades of NXB. This study uses sensory evaluation, an electronic nose, and three-dimensional fluorescence spectroscopy to determine the significant differences in aroma profiles among different grades of NXB. Further, 112 compounds were identified by GC-MS, and quantitative analysis was conducted on 33 major volatile compounds. Using odor activity value (OAV) analysis, it found 21, 23, and 26 key aroma compounds (OAV ≥ 1) in Grade 2 (G2), Grade 1 (G1), and prime-grade (GP), respectively. Aroma recombination successfully simulated the aroma distribution of different grades of NXB, and omission experiments identified 11 key aroma compounds as the foundation for NXB. Additionally, each grade exhibited a unique profile of key compounds. G2 was characterized by the presence of octanoic acid, which imparts sweaty and cheesy aromas. G1 contained benzoic acid ethyl ester, phenethyl acetate, pentanoic acid, 2-methyl-1-propanol, and furfural, contributing to sweet, floral, sweaty/cheesy, alcoholic, and roasted aromas. GP demonstrated higher concentrations of aroma compounds compared to G1 and G2, with distinctive compounds such as decanoic acid ethyl ester, dodecanoic acid ethyl ester, 3-methyl-1-butanol, and 1-hexanol, which are associated with sweaty/cheesy, fruity, and alcoholic aromas. This study elucidated the role of these compounds in determining the flavor profiles of various NXB grades, thereby providing a theoretical foundation for the quality grading of NXB.

研究领域: 食品科学 · 风味化学 · 分析化学 · 酿酒学 · 感官科学
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Novel deep eutectic solvent-modified GO@MOF-808 for high-performance removal and detection of trace Entacapone and Tolcapone pollutants: Experimental and DFT Investigations

Dongting Huang,Huixin You,Lirong Chen,Yongjing Liu,Hua Li

This study extends the development of a Graphene oxide@Zirconium-based metal-organic framework@Deep eutectic solvents (GO@MOF-808@DESs) through hydrothermal self-assembly using zirconium chloride and 1,3,5-benzenetricarboxylic acid (H 3 BTC), subsequently functionalized with four carbon-tailored fatty acid-based deep eutectic solvents (DESs) via ultrasonic impregnation. Comprehensive characterization of GO@MOF-808@DES confirmed the successful surface modification via DES. A dispersive micro-solid phase extraction(D-μSPE) method was established employing GO@MOF-808@DESs as an adsorbent for efficient removal of residual entacapone (ETCP) and tolcapone (TCP) from water. Optimization of the D-μSPE method revealed optimal conditions at pH 9.0, with a sample volume of 40 mL, an adsorbent dosage of 20 mg, and an adsorption time of 60 min. Under these conditions, the method achieved a significant adsorption capacity of 86.50 ± 4.79 mg/g for ETCP and 126.21 ± 2.72 mg/g for TCP. Mechanistic investigation revealed chemically dominated adsorption kinetics through pseudo-second-order modeling and Langmuir isotherm fitting. Concurrently, density functional theory (DFT) studies demonstrated that the synergistic effect between carboxyl-mediated hydrogen bonding and hydrophobic interactions led to enhanced adsorption performance. The engineered GO@MOF-808@DESs based D-μSPE method demonstrated superior performance in removing ETCP and TCP from river water matrices, achieving 99.67 % and 99.24 %, respectively. Meanwhile, a sensitive and reliable method for trace-level monitoring of ETCP and TCP residues in environmental waters was successfully proposed, employing GO@MOF-808@DESs-based D-μSPE coupled with liquid chromatography-tandem mass spectrometry (LC-MS/MS). This study presents a robust strategy for fabricating high-performance GO@MOF-808@DESs composite materials, demonstrating significant potential for practical applications.

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ULTRASONICS SONOCHEMISTRY · 2025 · IF 9.7

Ultrasonic-Assisted extraction of luteolin from peanut shells using supramolecular solvents and its molecular mechanism

Yuhan Fang,Ping Zhang,Shuang Wang,Lulu Li,Zunlai Sheng

This study innovatively employs ultrasound-assisted extraction (UAE) in conjunction with supramolecular solvents (SUPRAS) for the extraction of luteolin from peanut shells, while also investigating the potential mechanism underlying this extraction process. Initially, the formation mechanism of SUPRAS was characterized using Fourier-transform infrared spectroscopy (FTIR). Based on the results of single-factor experiments, the extraction process was optimized using response surface methodology (RSM), resulting in the determination of optimal conditions: an ultrasound temperature of 67 °C, a SUPRAS/equilibrium solution (EqS) volume ratio of 5:1, and a solid-to-liquid ratio of 1:36 g/mL. Under these conditions, the maximum luteolin yield reached 1.645 mg/g. Furthermore, through independent gradient model (IGMH) calculations, molecular orbital theory, interaction energy analysis, and molecular dynamics simulations, it was revealed that the predominant interaction force between the supramolecular solvent and the target compound is hydrogen bonding. Notably, this study also compares the SUPRAS-UAE extraction method with the traditional extraction in terms of efficiency, economic costs, and environmental impact. The results indicate that the SUPRAS-UAE technique demonstrates significant advantages in terms of its green and high-efficiency characteristics. It provides a new sustainable strategy for the efficient recovery of natural active ingredients in chemical engineering and related fields.

研究领域: 化学工程 · 天然产物化学 · 绿色化学 · 分子模拟
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ULTRASONICS SONOCHEMISTRY · 2026 · IF 10.2

Ultrasound-assisted temperature-responsive deep eutectic solvents for simultaneous extraction and separation of the alkaloid components from the white pepper

Huixin You,Haonan Shen,Hejie Han,Yongjing Liu,Hua Li

In this study, eighteen LCST-type temperature-responsive deep eutectic solvents (TRDESs) were developed for the ultrasound-assisted extraction of alkaloids from white pepper, using piperine (PIP) as the indicator. After optimization, the best conditions were identified as lidocaine/valeric acid (1:1) as the solvent, a solid‑to‑liquid ratio of 1:40  mg/mL, 75°C, and 30 min of ultrasound, achieving a PIP yield of 33.7502 mg/g. By utilizing the temperature‑responsive behavior of TRDES, PIP was separated solely by adjusting temperature and water content, without additional reagents, resulting in a crude extract containing 122.3  μg/mg of PIP. Subsequent analysis confirmed that the TRDES‑based ultrasound‑assisted extraction did not affect the antioxidant or anti‑diabetic (α‑glucosidase and α‑amylase inhibitory) activities of the extract. The TRDES system also showed good reusability, retaining over 85% of its initial extraction efficiency after five cycles. Density functional theory calculations revealed that ultrasound‑assisted extraction proceeds via hydrogen bonding between lidocaine/valeric acid and the five‑membered ring of PIP. With a high GAPI score of 82, this method offers a clearly greener and more sustainable alternative to conventional extraction techniques. This work integrates the novel green solvent TRDES with ultrasound‑assisted extraction, laying a key foundation for developing environmentally friendly processes in natural product preparation.

CAS / MDL: 109-52-4 111-14-8
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