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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

XGBoost algorithm-guided synthesis of violet phosphorus/MoAlB-MBene nanozyme for portable wireless intelligent sensing of sesamol in different varieties of sesame seeds

Tao Chen,Peng Liu,Yu Ge,Xiaoting Lei,Zhenzong Fan,Xiaoyu Zhu,Yangping Wen,Hassan Karimi-Maleh,Xiaoqiang Wang

Sesamol is a momentous marker for evaluating the quality of sesame or sesame products. In this study, a new strategy for fabricating portable smartphone sensor based on violet phosphorene (VP)/two-dimensional transition metal borides (MBene) nanozyme modified with Au − Ag bimetallic nanoparticles (Au − AgNPs) on the surface of the screen-printed electrode, which is synthesized under the guidance of machine learning (ML) with eXtreme Gradient Boosting (XGBoost) algorithms, is described for intelligent sensing of sesamol in farmland and agricultural fields. A fluorine-free hydrothermal-assisted alkane etching strategy is used to prepare the fence-like MoAlB-MBene. Highly environmentally stable VP/MoAlB-MBene nanozyme decorated by Au − Ag bimetallic nanoparticles is obtained by ultrasonic-assisted liquid-phase exfoliation with XGBoost assistance. The ML models including artificial neural network, support vector machine and XGBoost for the synthesis of nanozyme are contrasted and discussed, and the XGBoost algorithm is found as the most accurate model for synthesizing nanozyme due to the highest value of correlation coefficient. The nanozyme-modified screen-printed carbon electrode coupled with the palm-sized smartphone-controlled wireless electrochemical device as a portable wireless intelligent sensing platform for the determination of sesamol in a wider linear range of 0.1 ∼ 1000 μmol/L with a lower limit of detection of 21 nmol/L, which enable the on-site determination of 10 varieties of sesame seeds. This work will provide a new reference for the one-step preparation of bimetallic nanoparticles decorated graphene-like nanozyme guided by ML for cost-effective, simple, fast detection of phytochemicals in agricultural products using a portable smartphone sensor.

研究领域: 食品科学 · 材料科学 · 人工智能 · 分析化学
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JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE · 2020 ·Vol. 101 ·期 9 ·3605-3612 · IF 2.614

The inhibitory effects of sesamol and sesamolin on the glycidyl esters formation during deodorization of vegetables oils

Lipeng Han,Jiahui Li,Shujie Wang,Weiwei Cheng,Lukai Ma,Guoqin Liu,Dongxue Han,Li Niu

BACKGROUND Glycidyl esters (GEs) have attracted worldwide attention for their potential harm to human health. The GEs in edible oils mainly form during the deodorization of the oil refining processes. We used sesamol and sesamolin to inhibit the formation of GEs in model corn oil (MCO), model palm oil (MPO) and model rice bran oil (MRO) during a deodorization process. RESULTS The results showed that, in the three model oils, the total GE content was in the following order from highest to lowest: MRO (1437.98 μg kg −1 ) > MPO (388.64 μg kg −1 ) > MCO (314.81 μg kg −1 ). The inhibitory effect of the three antioxidants on the formation of GEs in the MCO was in the following order from strongest to weakest: tert-butylhydroquinone (TBHQ) > sesamol > sesamolin. CONCLUSION When the mass percentage of sesamol was 0.05%, its inhibition percentage on GEs was close to the inhibition percentage of 0.02% added TBHQ. The present study provides a foundation for understanding how to inhibit the formation of GEs in oils by adding sesamol during the deodorization process.

研究领域: 食品科学 · 健康与医学
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POLYMER DEGRADATION AND STABILITY · 2025 · IF 7.4

Biobased bisbenzoxazine resins derived from sesamol and furfurylamine: Using natural renewable resources to access phosphorus- and halogen-free flame-retardant thermosets

Weichen Sheng,Min Zhong,Han Zhang,Kan Zhang

Biomass derivatives are a promising class of precursors for developing natural sustainable polymers. However, biobased polymers generally possess flammable characteristic and poor thermal stability, which seriously restrain their further applications. Herein, two biobased diamines (PDFA and CPDFA) were successfully synthesized using furfurylamine and benzaldehyde/cyanobenzaldehyde as starting materials. In addition, two novel bio-bisbenzoxazine monomers, S-cpdfa and S-pdfa, were obtained via the Mannich condensation reaction from paraformaldehyde, sesamol and PDFA/CPDFA. The chemical structures of both biobased bisbenzoxazines have been confirmed by FT-IR, 1 H NMR, 13 C NMR, and 2D HMQC spectroscopies as well as high-resolution mass spectrometry (HR-MS). Moreover, the polymerization behaviors of bisbenzoxazine monomers were investigated by DSC and in situ FT-IR analyses. It is noteworthy that fully polymerized biobased thermosetting resins exhibit high thermal stability with T d10 of 373.8 °C and Y c of 63.2 % for poly(S-pdfa), and T d10 of 395.4 °C and Y c of 65.7 % for poly(S-cpdfa), respectively. Notably, poly(S-cpdfa) exhibited very low flammability and self-extinguishing performance as indicated by HRC of 13.1 J·g⁻¹·K⁻¹ and THR of 2.8 kJ·g⁻¹. This work presents a straightforward and environmentally conscious methodology to access phosphorus- and halogen-free thermosets with intrinsically flame retardancy using natural renewable resources.

研究领域: 材料科学 · 化学工程 · 可持续发展
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REACTIVE & FUNCTIONAL POLYMERS · 2025 · IF 5.1

Synthesis and isomeric effect of ethynyl-containing sesamol-based monobenzoxazine resins

Min Zhong,Weichen Sheng,Jianfeng Chen,Han Zhang,Hongping Li,Kan Zhang

The objective of this paper is to conduct a comparative analysis of sesamol-based benzoxazine monomers derived from anilines with an ethynyl substituent in a different position and to obtain some laws to guide the design of thermosets. The synthesis of bio-benzoxazine monomers (S-a, S- o ea, S- m ea, and S- p ea) via a one-step method from sesamol, a biomass monophenol, in the presence of polyformaldehyde by combining four different amines (aniline, ortho -ethynyl aniline, meta -ethynyl aniline, and para -ethynyl aniline), respectively. The structures of four new benzoxazine monomers were characterized by 1 H NMR, 13 C NMR, 2D-HMQC, and FT IR analysis. The FT IR spectra calculated by Gaussian 16 exhibited a high degree of consistency with the experimental data. The DSC scanning results of the monomers demonstrated that the order of the maximum exothermic peak temperature of polymerization was as follows: S- o ea (198.3 °C) < S- p ea (202.1 °C) < S- m ea (216.8 °C) < S-a (240.2 °C), which is in general agreement with the energy level order of HOMO-LUMO, as determined by Gaussian analysis. In addition, the reaction mechanisms of the oxazine ring and the ethynyl moiety were proposed in conjunction with an investigation of the polymerization process by in-situ FT IR. The TGA and MCC test results showed that the polymers (poly(S- o ea), poly(S- m ea), and poly(S- p ea)) derived from the corresponding monomers with ethynyl substituent in various site exhibit both excellent thermal stability and flame retardancy. Notably, poly(S- p ea) exhibited the highest carbon yield (70.2 %) at 800 °C. The incorporation of the ethynyl group not only reduces the polymerization process of benzoxazine monomers but also enhances the performance of resulting polybenzoxazines. This work offers a valuable reference for the preparation of optimal benzoxazine structures in future research.

研究领域: 材料科学 · 有机化学
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Foods · 2025 ·Vol. 14 ·期 6 ·971 · IF 5.1

Design and Characterization of Peptide-Based Self-Assembling Microgel for Encapsulation of Sesaminol

Jinhong Gao,Heng Du,Zhenhong Zhang,Qunpeng Duan,Libo Yuan,Bingchao Duan,Hongyan Yang,Kui Lu

Sesaminol is a natural functional compound of sesame with low bioaccessibility due to its high crystallinity. Here, a peptide-based self-assembly microgel was constructed to encapsulate sesaminol, reducing its crystallinity and improving its bioaccessibility. In this contribution, the peptide AcNH-Leu-Tyr-Tyr-CONH2(LYY) was shown to form a mesoporous three-dimensional (3D) microgel through microstructure characterization. Various characterization methods revealed that the LYY peptide self-assembled throughβ-folds and random coils, and the primary intermolecular interactions arose from hydrogen bonding and the π-π stacking effect. Subsequently, sesaminol was encapsulated within the microgel through co-assembly. The maximum encapsulation efficiency of sesaminol was 80.8 ± 0.9%, mainly in the form of nanoparticles encapsulated in microgel by morphology characterization. The XRD results indicated that sesaminol primarily existed in an amorphous state following encapsulation. The cumulative release indicated that sesaminol had a sustained release effect in the encapsulation system. Its bioaccessibility and antioxidant levels were increased. Molecular docking indicated that the main interactions between sesaminol and the self-assembled structure were hydrogen bonding and π-π interactions. Establishing sesaminol encapsulation provides valuable data and theoretical support for the research of sesaminol and the sesame processing industry.

研究领域: 食品科学 · 材料科学 · 生物化学
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JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY · 2013 · IF 2.906

Purification and Fermentation in Vitro of Sesaminol Triglucoside from Sesame Cake by Human Intestinal Microbiota

Xiuling Zhu,Xin Zhang,Yongkang Sun,Di Su,Yi Sun,Bing Hu,Xiaoxiong Zeng

Sesaminol triglucoside (STG), the most abundant lignan glycoside existing in sesame cake/meal, has exhibited various biological activities. However, little information about its in vitro fermentation with intestinal microbiota is available. Therefore, the effect of STG from sesame cake on the fermentation of human fecal microbiota was evaluated. First, high-purity STG was successfully prepared from defatted sesame cake by extraction with 80% ethanol and simple purification procedures of polyamide column chromatography and Toyopearl HW-40S column chromatography. Then the influence of STG on intestinal microbiota was conducted by monitoring bacterial populations and analyzing the concentrations of short-chain fatty acids (SCFA). We found that STG could significantly induce an increase in numbers of Lactobacillus–Enterococcus group and Bifidobacterium in fermentation in vitro with human fecal microbiota, while it did not stimulate the bacterial growth of Eubacterium rectale–Clostridium coccoides group, Clostridium histolyticum group, and Bacteroides–Prevotella group. Furthermore, it was found that concentrations of formic, acetic, propionic, and butyric acids in STG culture increased significantly during the fermentation, and its total SCFA concentration was relatively higher than those of the control and glucose cultures at 6 and 12 h fermentation. Our findings provided further evidence for the importance of human intestinal bacteria in the bioactivity of STG and its metabolites in the maintenance of human health.

研究领域: 食品科学 · 微生物学 · 营养学
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Food Bioscience · 2025 · IF 5.9

Sesamol Ameliorates Cholestatic Liver Injury by Modulating the Liver-Gut Axis and EGFR-FXR Signaling Pathway

Shasha Chen,Wenwen Li,Xinran Zhu,Yanlu Han,Mengyao Wang,Ke Gong,Jie Xiao,Chenzhong Liao,Yajun Duan,Xiaohua Jiang,Shuang Zhang

Estrogen-induced cholestasis (EIC) is a condition associated with intrauterine fetal death, preterm delivery, and meconium in amniotic fluid. The role of sesamol, a major bioactive compound in sesame oil, in alleviating cholestasis remains unclear. In this study, we investigated the mechanisms underlying the protective effects of sesamol against cholestatic liver injury using C57BL/6 male mice with 17α-ethynylestradiol (EE)-induced cholestasis, combined with network pharmacology, 16S rRNA sequencing, and the in vitro assays. Our results demonstrate that sesamol alleviates cholestatic liver injury by inhibiting inflammation, oxidative stress, and apoptosis. Mechanistically, sesamol activates EGFR/FXR/CYP7A1 signaling pathway, thereby improving bile acid metabolism. Additionally, sesamol modulates the gut microbiota by increasing the relative abundance of Firmicutes and Bacteroidota ( P < 0.05), which are crucial for bile acid metabolism. Furthermore, we observed a positive correlation ( P < 0.05) between serum liver injury and cholestasis relative markers and the abundance of certain harmful bacteria ( Anaerovorax, Erysipelatoclostridium, Fusobacterium ), suggesting that sesamol may protect against EIC through modulation of the liver-gut axis, contributing to the restoration of bile acid homeostasis. This study provides new insights into the potential of sesamol as a functional food ingredient for the prevention and treatment of cholestasis.

CAS / MDL: 533-31-3
研究领域: 药理学 · 分子生物学 · 微生物学
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JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH · 2020 · IF 1.345

Synthesis and insecticidal activity of sulfonate derivatives of sesamol against Mythimna separata in vivo

Zhi-Ping Che,Jin-Ming Yang,Xi-Jie Shan,Yue-E Tian,Sheng-Ming Liu,Xiao-Min Lin,Jia Jiang,Mei Hu,Gen-Qiang Chen

A series of sulfonate derivatives of sesamol were synthesized and evaluated for their insecticidal activity against a crop-threatening agricultural pest, the pre-third-instar larvae of Mythimna separata in vivo. Among all the target compounds, compounds 3b, 3g, 3h, and 3p exhibited more promising insecticidal activity than sesamol and toosendanin, and the final mortality rates (FMRs) of 3b, 3g, 3h, 3p, 1, and toosendanin were 60.7%/60.7%/67.9%/53.6%/32.1%/50.0%, respectively. Especially compound 3h exhibited the most potent insecticidal activity with FMRs of 67.9%. This suggested that a 4-fluorophenylsulfonyl group introduced at the hydroxyl position of sesamol was necessary for obtaining the most potent compound.

研究领域: 植物化学 · 农业昆虫学 · 有机合成化学
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JOURNAL OF SEPARATION SCIENCE · 2011 ·Vol. 34 ·期 22 ·3287-3294 · IF 2.631

Selective recognition of sesamol using molecularly imprinted polymers containing magnetic wollastonite

Xue Wang,Jianming Pan,Wei Guan,Xiaohua Zou,Pengwei Huo,Yongsheng Yan,Wei Hu

The magnetic molecularly imprinted polymers (MMIPs) have been synthesized using piperonal molecules as dummy template and magnetic wollastonite composites as support. The resulting composites were applied to selective recognition of sesamol from aqueous solution. MMIPs were characterized by scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) analysis, transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS), thermogravimetric analysis (TGA), and vibrating sample magnetometer (VSM). MMIPs were demonstrated with an imprinted polymer film (90–100 nm) and exhibited magnetic property ( M s =8.60 emu/g) and thermal stability. The effective average diameter of the Fe 3 O 4 nanoparticles was about 10 nm and the thickness of magnetic film was about 160 nm. Batch mode adsorption studies were carried out to investigate the specific adsorption equilibrium, kinetics and selective recognition. The Langmuir isotherm model was fitted to the equilibrium data better than the Freundlich model, and the kinetic properties were well described by the pseudo-second-order equation. The value of E a in this study was 5.35 kJ/mol for MMIPs. In addition, the selective recognition experiments demonstrated that MMIPs have specific recognition ability toward sesamol.

CAS / MDL: 97-90-5 14024-18-1
研究领域: 材料科学 · 分析化学
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FOOD HYDROCOLLOIDS · 2023 · IF 10.7

Characterization, antioxidant and antibacterial activities of chitosan/flaxseed soluble dietary fiber/sesamol blend films and their application in pork preservation

Saisai Feng,Liping Liu,Huanyang Li,Yan Guo,Yanxiong Huo,Xiaojiang Wu,Liangliang Zhang,Jianguo Xu

Chitosan (CS)-based functional films have been widely used in food packaging and preservation. In this work, we incorporated the sesamol and flaxseed soluble dietary fiber into chitosan solution to make blend films and investigated their mechanical and physicochemical properties, their antioxidant and antibacterial activities as well as their application in pork preservation. The physicochemical properties including optical properties, water solubility (WS), swelling degree (SD), water vapor transmission rate, and mechanical properties were measured. Meanwhile, the effects of flaxseed soluble dietary fiber (fSDF) and sesamol (Sol) on the microstructure of the blend film were further explored using scanning electron microscopy (SEM), fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), and thermogravimetric analysis. Thereafter, the antioxidant and antibacterial capabilities of CS-based films were evaluated. Moreover, the quality changes, myoglobin, and lipid oxidation during the storage period of fresh pork wrapped with CS-based films were monitored. The results showed that the incorporation of fSDF significantly changed the relatively regular and dense interaction network of CS film itself, which resulted in an improved elongation at break and UV resistance, reduced tensile strength, water resistance, and barrier functions. The addition of sesamol filled up the gaps caused by fSDF and had a smoother and denser structure. Therefore, CS/fSDF/Sol had a better barrier function and water resistance. Besides, sesamol addition significantly increased the antioxidant and antibacterial capabilities. Especially, compared with sesamol-incorporated CS films, sesamol-blended CS/fSDF films exhibited greater antioxidant and antibacterial activities. Finally, when three films (CS, CS/fSDF, CS/fSDF/Sol 1.2 ) were used in the preservation of fresh pork, the CS/fSDF/Sol 1.2 exhibited the best performance with the least changes in the appearance, odor, pH values, lipid and myoglobin oxidation levels, and the bacterial contamination. However, the water loss during storage did not improve significantly in pork even coated with CS/fSDF/Sol 1.2 . In conclusion, we suggest the co-addition of fSDF and sesamol into chitosan films to enhance their functionality in preservation.

CAS / MDL: 56-81-5 533-31-3
研究领域: 食品科学 · 生物化学
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POLYMER DEGRADATION AND STABILITY · 2025 · IF 7.4

High performance intrinsically flame-retardant bio-benzoxazine resin derived from 2,5-furandimethylene amine and sesamol: Synthesis and investigations of structure-property relationship

Weichen Sheng,Min Zhong,Yi Liu,Junhong Zhang,Tiancheng Zhao,Fuping Xie,Kan Zhang

Conventional benzoxazines are largely limited by the dependence on non-renewable resources, insufficient thermal stability, and poor flame retardance properties. This study presents two high-performance monofuran-diamine-type difunctional bio-benzoxazine monomers (MDOPH-fda and DMOPH-fda), whiche were synthesized by reacting 2,5-bis(aminomethyl)furan and paraformaldehyde with either sesamol or 3,4-dimethoxyphenol. The benzoxazine structure was validated using FT-IR, 1 H NMR, 13 C NMR, HMQC NMR, and HR-MS. The polymerization behavior of the monomers was monitored by DSC and in situ FT-IR. The results demonstrated that the polymerization temperatures of the two benzoxazine monomers were close. The thermal stability and thermomechanical properties of polymers derived from the two benzoxazines were evaluated by TGA and DMA). Due to the monofuran-diamine linking structure that leads to the formation of two oxazine rings, both poly(MDOPH-fda) and poly(DMOPH-fda) exhibit good thermal stability. Their respective Td₁₀ values are 374.8 °C and 330.4 °C, and their char yields at 800 °C are 63.5% and 52.8%, respectively. Due to the benzodioxole structure, poly(MDOPH-fda) exhibit superior thermal stability. Regarding thermomechanical properties, the storage modulus of poly(MDOPH-fda) is 3364.8 MPa, while that of poly(DMOPH-fda) is 3856.1 MPa. Their glass transition temperatures (Tg) are 260 °C and 272 °C, respectively. While these values are close, both are higher than those of commercial benzoxazine resins. Experiments using a Microscale Combustion Calorimeter (MCC) and a vertical combustion test (UL-94) confirmed that the sesamol-based benzoxazine resin, poly(MDOPH-fda), exhibits excellent flame retardance. Its heat release capacity (HRC) is 38.7 J·g -1 ·K -1 , and its total heat release (THR) is as low as 0.7 kJ·g -1 , reaching the UL-94 V0 level in the vertical combustion test. Analyses of the surface morphology and chemical composition of the residues after combustion using Scanning Electron Microscopy (SEM), X-ray Photoelectron Spectroscopy (XPS) and Raman Spectroscopy (LRS) show that poly(MDOPH-fda) is conducive to the formation of a dense graphitized carbon layer at high temperatures. This makies it a strong competitor in the field of high-performance flame-retardant resins.

研究领域: 高分子化学 · 材料科学 · 阻燃材料 · 绿色化学 · 热分析 · 复合材料
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2024 · IF 7.7

Aspergillus oryzae β-D-galactosidase immobilization on glutaraldehyde pre-activated amino-functionalized magnetic mesoporous silica: Performance, characteristics, and application in the preparation of sesaminol

Jinhong Gao,Lingli Zhang,Dongxin Zhao,Xin Lu,Qiang Sun,Heng Du,Hongyan Yang,Kui Lu

Aspergillus oryzae β-D-galactosidase (β-Gal) efficiently hydrolyzes sesaminol triglucoside into sesaminol, which has higher biological activity . However, β-Gal is difficult to be separate from the reaction mixture and limited by stability. To resolve these problems, β-Gal was immobilized on amino-functionalized magnetic nanoparticles mesoporous silica pre-activated with glutaraldehyde (Fe 3 O 4 @mSiO 2 -β-Gal), which was used for the first time to prepare sesaminol. Under the optimal conditions, the immobilization yield and recovered activity of β-Gal were 57.9 ± 0.3 % and 46.5 ± 0.9 %, and the enzymatic loading was 843 ± 21 U enzyme /g support . The construction of Fe 3 O 4 @mSiO 2 -β-Gal was confirmed by various characterization methods, and the results indicated it was suitable for heterogeneous enzyme-catalyzed reactions. Fe 3 O 4 @mSiO 2 -β-Gal was readily separable under magnetic action and displayed improved activity in extreme pH and temperature conditions. After 45 days of storage at 4 °C, the activity of Fe 3 O 4 @mSiO 2 -β-Gal remained at 92.3 ± 2.8 %, which was 1.29 times than that of free enzyme, and its activity remained above 85 % after 10 cycles. Fe 3 O 4 @mSiO 2 -β-Gal displayed higher affinity and catalytic efficiency. The half-life was 1.41 longer than free enzymes at 55.0 °C. Fe 3 O 4 @mSiO 2 -β-Gal was employed as a catalyst to prepare sesaminol, achieving a 96.7 % conversion yield of sesaminol. The excellent stability and catalytic efficiency provide broad benefits and potential for biocatalytic industry applications.

CAS / MDL: 78-10-4
研究领域: 生物化学 · 酶工程 · 食品科学
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